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/vl30-22mer-ef756562/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/vl30-22mer-ef756562/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCUGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCUGCCUCCCACUCC
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _..((......)).........._
nucl1: 3, chain1: 0, <---> nucl2: 10, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 10
nucl1: 2, chain1: 0, <---> nucl2: 11, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 11
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/vl30-22mer-ef756562/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/vl30-22mer-ef756562/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCUGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCUGCCUCCCACUCC
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _..((......)).........._
nucl1: 3, chain1: 0, <---> nucl2: 10, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 10
nucl1: 2, chain1: 0, <---> nucl2: 11, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 11
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/vl30-22mer-ef756562/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/vl30-22mer-ef756562/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCUGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCUGCCUCCCACUCC
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _..((......)).........._
nucl1: 3, chain1: 0, <---> nucl2: 10, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 10
nucl1: 2, chain1: 0, <---> nucl2: 11, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 11
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/vl30-22mer-ef756562/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/vl30-22mer-ef756562/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCUGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCUGCCUCCCACUCC
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _..((......)).........._
nucl1: 3, chain1: 0, <---> nucl2: 10, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 10
nucl1: 2, chain1: 0, <---> nucl2: 11, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 11
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/vl30-22mer-ef756562/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/vl30-22mer-ef756562/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCUGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCUGCCUCCCACUCC
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _..((......)).........._
nucl1: 3, chain1: 0, <---> nucl2: 10, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 10
nucl1: 2, chain1: 0, <---> nucl2: 11, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 11
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/vl30-22mer-ef756562/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/vl30-22mer-ef756562/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCUGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCUGCCUCCCACUCC
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _..((......)).........._
nucl1: 3, chain1: 0, <---> nucl2: 10, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 10
nucl1: 2, chain1: 0, <---> nucl2: 11, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 11
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/vl30-22mer-ef756562/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/vl30-22mer-ef756562/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCUGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCUGCCUCCCACUCC
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _..((......)).........._
nucl1: 3, chain1: 0, <---> nucl2: 10, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 10
nucl1: 2, chain1: 0, <---> nucl2: 11, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 11
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/vl30-22mer-ef756562/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/vl30-22mer-ef756562/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCUGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCUGCCUCCCACUCC
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _..((......)).........._
nucl1: 3, chain1: 0, <---> nucl2: 10, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 10
nucl1: 2, chain1: 0, <---> nucl2: 11, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 11
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/vl30-22mer-ef756562/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/vl30-22mer-ef756562/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCUGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCUGCCUCCCACUCC
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _..((......)).........._
nucl1: 3, chain1: 0, <---> nucl2: 10, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 10
nucl1: 2, chain1: 0, <---> nucl2: 11, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 11
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/vl30-22mer-ef756562/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/vl30-22mer-ef756562/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCUGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCUGCCUCCCACUCC
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _..((......)).........._
nucl1: 3, chain1: 0, <---> nucl2: 10, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 10
nucl1: 2, chain1: 0, <---> nucl2: 11, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 11
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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: -32.377803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.377803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.952021 (E_RNA)
where:
Base-Base interactions energy: -1.077
where: short stacking energy: -1.077
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 50.574 (S_DIST_RNA)
chem. 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: -32.377803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.377803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.952021 (E_RNA)
where:
Base-Base interactions energy: -1.077
where: short stacking energy: -1.077
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 50.574 (S_DIST_RNA)
chem. 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: -32.377803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.377803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.952021 (E_RNA)
where:
Base-Base interactions energy: -1.077
where: short stacking energy: -1.077
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 50.574 (S_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: -32.377803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.377803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.952021 (E_RNA)
where:
Base-Base interactions energy: -1.077
where: short stacking energy: -1.077
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 50.574 (S_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: -32.377803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.377803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.952021 (E_RNA)
where:
Base-Base interactions energy: -1.077
where: short stacking energy: -1.077
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 50.574 (S_DIST_RNA)
chem. 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: -32.377803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.377803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.952021 (E_RNA)
where:
Base-Base interactions energy: -1.077
where: short stacking energy: -1.077
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 50.574 (S_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: -32.377803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.377803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.952021 (E_RNA)
where:
Base-Base interactions energy: -1.077
where: short stacking energy: -1.077
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 50.574 (S_DIST_RNA)
chem. 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: -32.377803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.377803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.952021 (E_RNA)
where:
Base-Base interactions energy: -1.077
where: short stacking energy: -1.077
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 50.574 (S_DIST_RNA)
chem. 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: -32.377803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.377803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.952021 (E_RNA)
where:
Base-Base interactions energy: -1.077
where: short stacking energy: -1.077
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 50.574 (S_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: -32.377803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.377803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.952021 (E_RNA)
where:
Base-Base interactions energy: -1.077
where: short stacking energy: -1.077
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 50.574 (S_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: -152.991948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.991948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.052085 (E_RNA)
where:
Base-Base interactions energy: -87.625
where: short stacking energy: -44.001
Base-Backbone interact. energy: -0.257
local terms energy: -65.170243
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -6.004
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. 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: -133.647577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.647577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.764694 (E_RNA)
where:
Base-Base interactions energy: -64.911
where: short stacking energy: -54.480
Base-Backbone interact. energy: -0.000
local terms energy: -69.854056
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -11.665
Dist. restrs. and SS energy: 1.117 (S_DIST_RNA)
chem. 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: -174.624881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.624881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.903291 (E_RNA)
where:
Base-Base interactions energy: -111.081
where: short stacking energy: -65.894
Base-Backbone interact. energy: -0.110
local terms energy: -63.712128
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -14.689
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -12.011
Dist. restrs. and SS energy: 0.278 (S_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: -161.815921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.815921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.862082 (E_RNA)
where:
Base-Base interactions energy: -97.770
where: short stacking energy: -62.182
Base-Backbone interact. energy: 1.118
local terms energy: -65.209837
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -14.592
Dist. restrs. and SS energy: 0.046 (S_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: -115.773608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.773608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.329192 (E_RNA)
where:
Base-Base interactions energy: -53.325
where: short stacking energy: -40.240
Base-Backbone interact. energy: 1.078
local terms energy: -65.081913
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -4.342
Dist. restrs. and SS energy: 1.556 (S_DIST_RNA)
chem. 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: -101.937271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.937271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.953074 (E_RNA)
where:
Base-Base interactions energy: -46.659
where: short stacking energy: -46.215
Base-Backbone interact. energy: -0.057
local terms energy: -61.237231
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -6.689
tors. eta vs tors. theta energy: -9.372
Dist. restrs. and SS energy: 6.016 (S_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: -131.942826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.942826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.942826 (E_RNA)
where:
Base-Base interactions energy: -79.215
where: short stacking energy: -43.240
Base-Backbone interact. energy: 1.365
local terms energy: -54.093114
where:
bonds (distance) C4'-P energy: -10.673
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -2.386
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -118.443812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.443812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.506721 (E_RNA)
where:
Base-Base interactions energy: -58.430
where: short stacking energy: -30.041
Base-Backbone interact. energy: 0.164
local terms energy: -60.240865
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -6.381
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. 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: -108.828247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.828247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.903315 (E_RNA)
where:
Base-Base interactions energy: -60.176
where: short stacking energy: -29.388
Base-Backbone interact. energy: -0.501
local terms energy: -48.226728
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: 3.807
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -120.652969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.652969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.702197 (E_RNA)
where:
Base-Base interactions energy: -71.787
where: short stacking energy: -40.489
Base-Backbone interact. energy: 0.666
local terms energy: -49.580926
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -7.826
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -7.411
Dist. restrs. and SS energy: 0.049 (S_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: -167.416656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.416656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.435406 (E_RNA)
where:
Base-Base interactions energy: -105.474
where: short stacking energy: -50.168
Base-Backbone interact. energy: -0.146
local terms energy: -61.815964
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -6.366
tors. eta vs tors. theta energy: -11.573
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -175.732655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.732655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.732655 (E_RNA)
where:
Base-Base interactions energy: -100.986
where: short stacking energy: -59.152
Base-Backbone interact. energy: -0.034
local terms energy: -74.712607
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -13.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -132.585923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.585923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.989131 (E_RNA)
where:
Base-Base interactions energy: -64.767
where: short stacking energy: -45.548
Base-Backbone interact. energy: -0.362
local terms energy: -69.860681
where:
bonds (distance) C4'-P energy: -10.082
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -12.104
Dist. restrs. and SS energy: 2.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -175.214605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.214605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.214605 (E_RNA)
where:
Base-Base interactions energy: -103.062
where: short stacking energy: -54.057
Base-Backbone interact. energy: -0.045
local terms energy: -72.107855
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -12.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -134.426474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.426474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.335284 (E_RNA)
where:
Base-Base interactions energy: -63.696
where: short stacking energy: -52.754
Base-Backbone interact. energy: -0.083
local terms energy: -75.557183
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -13.338
tors. eta vs tors. theta energy: -16.255
Dist. restrs. and SS energy: 4.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -133.826829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.826829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.826829 (E_RNA)
where:
Base-Base interactions energy: -75.040
where: short stacking energy: -42.097
Base-Backbone interact. energy: 1.088
local terms energy: -59.874959
where:
bonds (distance) C4'-P energy: -17.269
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -7.298
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: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -116.726626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.726626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.455321 (E_RNA)
where:
Base-Base interactions energy: -51.239
where: short stacking energy: -33.446
Base-Backbone interact. energy: -0.081
local terms energy: -67.134889
where:
bonds (distance) C4'-P energy: -8.938
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -13.395
Dist. restrs. and SS energy: 1.729 (S_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: -147.039503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.039503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.090961 (E_RNA)
where:
Base-Base interactions energy: -86.335
where: short stacking energy: -43.762
Base-Backbone interact. energy: -0.057
local terms energy: -60.698977
where:
bonds (distance) C4'-P energy: -4.573
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -11.107
Dist. restrs. and SS energy: 0.051 (S_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: -131.929563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.929563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.955069 (E_RNA)
where:
Base-Base interactions energy: -76.085
where: short stacking energy: -42.007
Base-Backbone interact. energy: -0.288
local terms energy: -55.582515
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -13.375
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -7.369
Dist. restrs. and SS energy: 0.026 (S_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: -135.066244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.066244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.066244 (E_RNA)
where:
Base-Base interactions energy: -84.270
where: short stacking energy: -42.629
Base-Backbone interact. energy: -0.039
local terms energy: -50.757463
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -9.691
flat angles P-C4'-P energy: -6.091
tors. eta vs tors. theta energy: -10.380
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: 4
Temperature: 0.900000
Total energy: -200.413158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.413158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.674326 (E_RNA)
where:
Base-Base interactions energy: -121.012
where: short stacking energy: -69.532
Base-Backbone interact. energy: -0.160
local terms energy: -79.502010
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -18.765
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -22.356
Dist. restrs. and SS energy: 0.261 (S_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: 4
Temperature: 0.950000
Total energy: -153.194048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.194048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.194048 (E_RNA)
where:
Base-Base interactions energy: -90.332
where: short stacking energy: -49.231
Base-Backbone interact. energy: -0.416
local terms energy: -62.446695
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -5.115
tors. eta vs tors. theta energy: -12.278
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: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -185.229133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.229133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.828364 (E_RNA)
where:
Base-Base interactions energy: -113.793
where: short stacking energy: -67.007
Base-Backbone interact. energy: -0.027
local terms energy: -72.008531
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -13.826
tors. eta vs tors. theta energy: -17.693
Dist. restrs. and SS energy: 0.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -136.157051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.157051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.901280 (E_RNA)
where:
Base-Base interactions energy: -70.125
where: short stacking energy: -54.638
Base-Backbone interact. energy: -0.160
local terms energy: -69.616273
where:
bonds (distance) C4'-P energy: -14.833
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -10.115
Dist. restrs. and SS energy: 3.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -143.050080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.050080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.171926 (E_RNA)
where:
Base-Base interactions energy: -77.371
where: short stacking energy: -44.248
Base-Backbone interact. energy: -0.141
local terms energy: -65.660071
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -9.626
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -119.300079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.300079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.782877 (E_RNA)
where:
Base-Base interactions energy: -63.183
where: short stacking energy: -38.889
Base-Backbone interact. energy: -0.153
local terms energy: -56.447581
where:
bonds (distance) C4'-P energy: -10.267
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -10.058
Dist. restrs. and SS energy: 0.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -142.133048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.133048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.382825 (E_RNA)
where:
Base-Base interactions energy: -85.386
where: short stacking energy: -44.703
Base-Backbone interact. energy: -0.016
local terms energy: -56.980791
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: -7.924
Dist. restrs. and SS energy: 0.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -144.108970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.108970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.113600 (E_RNA)
where:
Base-Base interactions energy: -90.996
where: short stacking energy: -45.049
Base-Backbone interact. energy: -0.176
local terms energy: -52.941120
where:
bonds (distance) C4'-P energy: -11.100
bonds (distance) P-C4' energy: -6.780
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -10.920
Dist. restrs. and SS energy: 0.005 (S_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: -143.713684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.713684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.743004 (E_RNA)
where:
Base-Base interactions energy: -81.390
where: short stacking energy: -41.174
Base-Backbone interact. energy: -0.182
local terms energy: -62.170457
where:
bonds (distance) C4'-P energy: -10.189
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: -9.544
Dist. restrs. and SS energy: 0.029 (S_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: -130.429810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.429810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.474455 (E_RNA)
where:
Base-Base interactions energy: -67.493
where: short stacking energy: -38.726
Base-Backbone interact. energy: -0.121
local terms energy: -62.860461
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -8.599
Dist. restrs. and SS energy: 0.045 (S_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: 5
Temperature: 0.900000
Total energy: -200.953816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.953816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.080285 (E_RNA)
where:
Base-Base interactions energy: -122.375
where: short stacking energy: -63.111
Base-Backbone interact. energy: -0.105
local terms energy: -78.600916
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -18.628
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -167.601304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.601304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.621019 (E_RNA)
where:
Base-Base interactions energy: -98.084
where: short stacking energy: -64.744
Base-Backbone interact. energy: -0.176
local terms energy: -69.361618
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -14.646
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -150.632288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.632288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.632288 (E_RNA)
where:
Base-Base interactions energy: -88.443
where: short stacking energy: -50.131
Base-Backbone interact. energy: 1.183
local terms energy: -63.372508
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -8.293
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: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -155.087438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.087438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.389981 (E_RNA)
where:
Base-Base interactions energy: -88.492
where: short stacking energy: -55.291
Base-Backbone interact. energy: -0.434
local terms energy: -66.463833
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -17.427
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -13.507
Dist. restrs. and SS energy: 0.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -121.619732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.619732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.532020 (E_RNA)
where:
Base-Base interactions energy: -75.066
where: short stacking energy: -46.232
Base-Backbone interact. energy: 0.074
local terms energy: -47.540566
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -8.451
flat angles C4'-P-C4' energy: -7.833
flat angles P-C4'-P energy: -4.551
tors. eta vs tors. theta energy: -12.095
Dist. restrs. and SS energy: 0.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -130.603876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.603876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.620265 (E_RNA)
where:
Base-Base interactions energy: -74.006
where: short stacking energy: -36.015
Base-Backbone interact. energy: -0.217
local terms energy: -56.397266
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -0.573
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -105.852131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.852131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.998671 (E_RNA)
where:
Base-Base interactions energy: -52.196
where: short stacking energy: -21.902
Base-Backbone interact. energy: -0.190
local terms energy: -53.612604
where:
bonds (distance) C4'-P energy: -9.402
bonds (distance) P-C4' energy: -16.974
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -5.903
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -147.983708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.983708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.382538 (E_RNA)
where:
Base-Base interactions energy: -85.946
where: short stacking energy: -43.552
Base-Backbone interact. energy: -0.200
local terms energy: -62.236534
where:
bonds (distance) C4'-P energy: -11.807
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -13.074
Dist. restrs. and SS energy: 0.399 (S_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: -135.337248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.337248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.587864 (E_RNA)
where:
Base-Base interactions energy: -86.065
where: short stacking energy: -38.988
Base-Backbone interact. energy: -0.174
local terms energy: -49.349195
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -10.966
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -0.139
Dist. restrs. and SS energy: 0.251 (S_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: -125.523675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.523675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.523675 (E_RNA)
where:
Base-Base interactions energy: -71.783
where: short stacking energy: -32.960
Base-Backbone interact. energy: -0.588
local terms energy: -53.152196
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -4.292
tors. eta vs tors. theta energy: -7.502
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: 6
Temperature: 0.900000
Total energy: -193.693107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.693107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.693107 (E_RNA)
where:
Base-Base interactions energy: -115.381
where: short stacking energy: -58.930
Base-Backbone interact. energy: -0.240
local terms energy: -78.071814
where:
bonds (distance) C4'-P energy: -16.660
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -15.501
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: 4
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -187.334010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.334010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.522468 (E_RNA)
where:
Base-Base interactions energy: -112.632
where: short stacking energy: -65.591
Base-Backbone interact. energy: 0.053
local terms energy: -74.942736
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -19.926
Dist. restrs. and SS energy: 0.188 (S_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: 6
Temperature: 1.000000
Total energy: -169.145898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.145898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.145898 (E_RNA)
where:
Base-Base interactions energy: -94.319
where: short stacking energy: -61.327
Base-Backbone interact. energy: -0.360
local terms energy: -74.466429
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -19.695
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -155.312970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.312970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.529626 (E_RNA)
where:
Base-Base interactions energy: -90.791
where: short stacking energy: -49.686
Base-Backbone interact. energy: -0.833
local terms energy: -63.905650
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -10.271
Dist. restrs. and SS energy: 0.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -147.979303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.979303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.979303 (E_RNA)
where:
Base-Base interactions energy: -83.646
where: short stacking energy: -42.468
Base-Backbone interact. energy: -0.976
local terms energy: -63.357448
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -10.195
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -113.299524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.299524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.505434 (E_RNA)
where:
Base-Base interactions energy: -57.976
where: short stacking energy: -33.872
Base-Backbone interact. energy: 0.247
local terms energy: -57.776257
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -10.831
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -8.764
Dist. restrs. and SS energy: 2.206 (S_DIST_RNA)
chem. 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: -142.321534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.321534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.439693 (E_RNA)
where:
Base-Base interactions energy: -79.963
where: short stacking energy: -39.908
Base-Backbone interact. energy: -0.639
local terms energy: -61.838166
where:
bonds (distance) C4'-P energy: -12.896
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -10.405
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -119.965386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.965386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.965386 (E_RNA)
where:
Base-Base interactions energy: -69.250
where: short stacking energy: -35.818
Base-Backbone interact. energy: 0.891
local terms energy: -51.607292
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -5.374
tors. eta vs tors. theta energy: -6.241
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: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -157.455258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.455258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.888918 (E_RNA)
where:
Base-Base interactions energy: -97.104
where: short stacking energy: -53.275
Base-Backbone interact. energy: -0.059
local terms energy: -60.725829
where:
bonds (distance) C4'-P energy: -10.468
bonds (distance) P-C4' energy: -13.819
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -15.000
Dist. restrs. and SS energy: 0.434 (S_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: -125.834627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.834627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.891138 (E_RNA)
where:
Base-Base interactions energy: -64.090
where: short stacking energy: -32.586
Base-Backbone interact. energy: 1.268
local terms energy: -63.069212
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -11.951
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -199.207312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.207312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.549586 (E_RNA)
where:
Base-Base interactions energy: -119.011
where: short stacking energy: -72.202
Base-Backbone interact. energy: -0.580
local terms energy: -79.958686
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -18.901
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -19.222
Dist. restrs. and SS energy: 0.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -172.180848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.180848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.204699 (E_RNA)
where:
Base-Base interactions energy: -102.104
where: short stacking energy: -62.558
Base-Backbone interact. energy: -0.014
local terms energy: -70.086370
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -15.316
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -182.340976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.340976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.864081 (E_RNA)
where:
Base-Base interactions energy: -112.517
where: short stacking energy: -63.549
Base-Backbone interact. energy: 0.097
local terms energy: -70.444323
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -16.760
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -13.756
tors. eta vs tors. theta energy: -12.787
Dist. restrs. and SS energy: 0.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -160.933790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.933790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.946280 (E_RNA)
where:
Base-Base interactions energy: -87.005
where: short stacking energy: -55.926
Base-Backbone interact. energy: -0.651
local terms energy: -73.289776
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -16.452
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -159.425624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.425624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.492748 (E_RNA)
where:
Base-Base interactions energy: -98.808
where: short stacking energy: -60.053
Base-Backbone interact. energy: 0.066
local terms energy: -61.751287
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -0.834
tors. eta vs tors. theta energy: -13.878
Dist. restrs. and SS energy: 1.067 (S_DIST_RNA)
chem. 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: -143.159964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.159964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.168569 (E_RNA)
where:
Base-Base interactions energy: -81.737
where: short stacking energy: -41.668
Base-Backbone interact. energy: 0.169
local terms energy: -61.601107
where:
bonds (distance) C4'-P energy: -9.188
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -9.643
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -127.098894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.098894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.347082 (E_RNA)
where:
Base-Base interactions energy: -55.794
where: short stacking energy: -39.808
Base-Backbone interact. energy: -0.019
local terms energy: -71.534015
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -11.429
Dist. restrs. and SS energy: 0.248 (S_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: -141.171343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.171343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.171343 (E_RNA)
where:
Base-Base interactions energy: -79.511
where: short stacking energy: -45.914
Base-Backbone interact. energy: -0.173
local terms energy: -61.487217
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -11.275
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -9.238
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: 5
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -123.286876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.286876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.286876 (E_RNA)
where:
Base-Base interactions energy: -80.091
where: short stacking energy: -33.571
Base-Backbone interact. energy: -0.958
local terms energy: -42.237922
where:
bonds (distance) C4'-P energy: -9.956
bonds (distance) P-C4' energy: -10.688
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: 0.153
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -113.362491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.362491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.936855 (E_RNA)
where:
Base-Base interactions energy: -57.316
where: short stacking energy: -28.961
Base-Backbone interact. energy: 2.235
local terms energy: -58.856182
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -7.021
tors. eta vs tors. theta energy: -7.549
Dist. restrs. and SS energy: 0.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -176.885725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.885725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.885725 (E_RNA)
where:
Base-Base interactions energy: -102.513
where: short stacking energy: -61.114
Base-Backbone interact. energy: -0.169
local terms energy: -74.203518
where:
bonds (distance) C4'-P energy: -18.271
bonds (distance) P-C4' energy: -19.017
flat angles C4'-P-C4' energy: -17.224
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: -12.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -192.356826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.356826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.571740 (E_RNA)
where:
Base-Base interactions energy: -111.676
where: short stacking energy: -67.394
Base-Backbone interact. energy: -0.041
local terms energy: -80.854547
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -15.260
tors. eta vs tors. theta energy: -19.558
Dist. restrs. and SS energy: 0.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -176.580992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.580992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.580992 (E_RNA)
where:
Base-Base interactions energy: -104.823
where: short stacking energy: -68.590
Base-Backbone interact. energy: -0.120
local terms energy: -71.637921
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -13.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -160.812752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.812752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.017865 (E_RNA)
where:
Base-Base interactions energy: -93.153
where: short stacking energy: -49.322
Base-Backbone interact. energy: -0.669
local terms energy: -67.195650
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -17.564
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -12.813
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -154.714182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.714182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.726960 (E_RNA)
where:
Base-Base interactions energy: -85.436
where: short stacking energy: -48.720
Base-Backbone interact. energy: -0.582
local terms energy: -68.708659
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -17.244
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -13.206
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -136.963389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.963389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.056186 (E_RNA)
where:
Base-Base interactions energy: -74.743
where: short stacking energy: -40.633
Base-Backbone interact. energy: -0.080
local terms energy: -62.233381
where:
bonds (distance) C4'-P energy: -16.337
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -10.491
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -9.583
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -132.530868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.530868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.530868 (E_RNA)
where:
Base-Base interactions energy: -72.981
where: short stacking energy: -41.170
Base-Backbone interact. energy: -0.001
local terms energy: -59.549463
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -11.947
flat angles P-C4'-P energy: -6.248
tors. eta vs tors. theta energy: -8.356
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -115.549937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.549937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.345438 (E_RNA)
where:
Base-Base interactions energy: -61.125
where: short stacking energy: -39.654
Base-Backbone interact. energy: -0.141
local terms energy: -55.079626
where:
bonds (distance) C4'-P energy: -13.149
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -11.972
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -4.735
Dist. restrs. and SS energy: 0.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -119.630967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.630967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.666685 (E_RNA)
where:
Base-Base interactions energy: -72.868
where: short stacking energy: -39.044
Base-Backbone interact. energy: -0.100
local terms energy: -46.698731
where:
bonds (distance) C4'-P energy: -8.603
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -8.711
flat angles P-C4'-P energy: -5.325
tors. eta vs tors. theta energy: -5.885
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -136.245874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.245874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.330854 (E_RNA)
where:
Base-Base interactions energy: -85.642
where: short stacking energy: -39.804
Base-Backbone interact. energy: -0.765
local terms energy: -49.923751
where:
bonds (distance) C4'-P energy: -10.014
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -10.393
flat angles P-C4'-P energy: -6.790
tors. eta vs tors. theta energy: -6.905
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -199.765520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.765520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.198617 (E_RNA)
where:
Base-Base interactions energy: -120.717
where: short stacking energy: -64.719
Base-Backbone interact. energy: -0.105
local terms energy: -79.376500
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -19.506
Dist. restrs. and SS energy: 0.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -187.638819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.638819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.137619 (E_RNA)
where:
Base-Base interactions energy: -109.781
where: short stacking energy: -64.421
Base-Backbone interact. energy: -0.018
local terms energy: -78.338546
where:
bonds (distance) C4'-P energy: -17.613
bonds (distance) P-C4' energy: -17.683
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -17.734
Dist. restrs. and SS energy: 0.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -179.612142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.612142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.867823 (E_RNA)
where:
Base-Base interactions energy: -103.973
where: short stacking energy: -59.168
Base-Backbone interact. energy: -0.013
local terms energy: -75.881189
where:
bonds (distance) C4'-P energy: -17.624
bonds (distance) P-C4' energy: -19.596
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -6.412
tors. eta vs tors. theta energy: -15.595
Dist. restrs. and SS energy: 0.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -161.499840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.499840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.552501 (E_RNA)
where:
Base-Base interactions energy: -100.348
where: short stacking energy: -55.906
Base-Backbone interact. energy: -0.059
local terms energy: -61.145635
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -8.210
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -14.403
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -153.698212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.698212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.763218 (E_RNA)
where:
Base-Base interactions energy: -90.311
where: short stacking energy: -38.350
Base-Backbone interact. energy: -0.223
local terms energy: -63.229733
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -9.474
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -9.856
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -139.065466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.065466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.148168 (E_RNA)
where:
Base-Base interactions energy: -83.369
where: short stacking energy: -43.413
Base-Backbone interact. energy: -0.044
local terms energy: -55.734782
where:
bonds (distance) C4'-P energy: -8.645
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -9.121
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -140.526376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.526376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.526376 (E_RNA)
where:
Base-Base interactions energy: -80.060
where: short stacking energy: -48.070
Base-Backbone interact. energy: -0.589
local terms energy: -59.877022
where:
bonds (distance) C4'-P energy: -10.702
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -9.612
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -126.130255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.130255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.231355 (E_RNA)
where:
Base-Base interactions energy: -68.558
where: short stacking energy: -38.186
Base-Backbone interact. energy: -0.281
local terms energy: -57.392574
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -4.178
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -100.869958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.869958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.108196 (E_RNA)
where:
Base-Base interactions energy: -53.159
where: short stacking energy: -39.963
Base-Backbone interact. energy: 0.276
local terms energy: -55.226002
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -16.059
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -5.080
tors. eta vs tors. theta energy: -9.627
Dist. restrs. and SS energy: 7.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -131.852641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.852641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.852641 (E_RNA)
where:
Base-Base interactions energy: -71.211
where: short stacking energy: -41.052
Base-Backbone interact. energy: -0.141
local terms energy: -60.501324
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -8.392
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -199.148100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.148100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.148100 (E_RNA)
where:
Base-Base interactions energy: -119.702
where: short stacking energy: -73.329
Base-Backbone interact. energy: -0.018
local terms energy: -79.428606
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -17.130
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -21.315
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: 4
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -180.673840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.673840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.713634 (E_RNA)
where:
Base-Base interactions energy: -107.464
where: short stacking energy: -66.041
Base-Backbone interact. energy: -0.087
local terms energy: -73.162348
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -16.063
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -13.603
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -173.821716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.821716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.821716 (E_RNA)
where:
Base-Base interactions energy: -103.792
where: short stacking energy: -61.463
Base-Backbone interact. energy: -0.090
local terms energy: -69.939992
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -6.238
tors. eta vs tors. theta energy: -16.884
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -167.019619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.019619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.573530 (E_RNA)
where:
Base-Base interactions energy: -101.735
where: short stacking energy: -58.833
Base-Backbone interact. energy: -0.124
local terms energy: -65.715117
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -11.688
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -14.251
Dist. restrs. and SS energy: 0.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -144.899847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.899847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.899847 (E_RNA)
where:
Base-Base interactions energy: -76.004
where: short stacking energy: -43.514
Base-Backbone interact. energy: -0.135
local terms energy: -68.760541
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -9.612
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: 10
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -133.819009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.819009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.821500 (E_RNA)
where:
Base-Base interactions energy: -67.639
where: short stacking energy: -39.795
Base-Backbone interact. energy: 0.218
local terms energy: -66.400066
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: -8.623
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -137.577997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.577997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.598920 (E_RNA)
where:
Base-Base interactions energy: -70.976
where: short stacking energy: -41.821
Base-Backbone interact. energy: -0.102
local terms energy: -66.520526
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -14.223
flat angles C4'-P-C4' energy: -10.869
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: -11.878
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -148.793142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.793142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.166446 (E_RNA)
where:
Base-Base interactions energy: -84.486
where: short stacking energy: -40.409
Base-Backbone interact. energy: -0.214
local terms energy: -64.466535
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -14.933
Dist. restrs. and SS energy: 0.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -129.242261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.242261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.368846 (E_RNA)
where:
Base-Base interactions energy: -65.164
where: short stacking energy: -36.609
Base-Backbone interact. energy: -0.557
local terms energy: -63.648591
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -9.174
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -132.558590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.558590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.559691 (E_RNA)
where:
Base-Base interactions energy: -73.580
where: short stacking energy: -38.228
Base-Backbone interact. energy: -0.282
local terms energy: -58.697028
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -11.188
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -8.241
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -199.565582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.565582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.762997 (E_RNA)
where:
Base-Base interactions energy: -124.744
where: short stacking energy: -65.663
Base-Backbone interact. energy: -0.033
local terms energy: -74.985375
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -15.339
Dist. restrs. and SS energy: 0.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -194.683145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.683145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.714898 (E_RNA)
where:
Base-Base interactions energy: -113.667
where: short stacking energy: -67.742
Base-Backbone interact. energy: -0.054
local terms energy: -80.994171
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -22.293
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -174.686145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.686145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.686817 (E_RNA)
where:
Base-Base interactions energy: -106.001
where: short stacking energy: -60.359
Base-Backbone interact. energy: -0.143
local terms energy: -68.542831
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -16.059
flat angles C4'-P-C4' energy: -17.894
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -14.911
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -166.363607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.363607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.663192 (E_RNA)
where:
Base-Base interactions energy: -102.255
where: short stacking energy: -44.667
Base-Backbone interact. energy: -0.394
local terms energy: -64.014015
where:
bonds (distance) C4'-P energy: -16.788
bonds (distance) P-C4' energy: -13.619
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -12.810
Dist. restrs. and SS energy: 0.300 (S_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: 11
Temperature: 1.100000
Total energy: -165.794337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.794337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.815645 (E_RNA)
where:
Base-Base interactions energy: -98.382
where: short stacking energy: -52.681
Base-Backbone interact. energy: -0.122
local terms energy: -67.311292
where:
bonds (distance) C4'-P energy: -14.746
bonds (distance) P-C4' energy: -11.246
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -8.175
tors. eta vs tors. theta energy: -16.027
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -150.734431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.734431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.746718 (E_RNA)
where:
Base-Base interactions energy: -86.915
where: short stacking energy: -48.303
Base-Backbone interact. energy: -0.008
local terms energy: -63.823597
where:
bonds (distance) C4'-P energy: -15.724
bonds (distance) P-C4' energy: -16.331
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -6.117
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -137.637851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.637851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.002261 (E_RNA)
where:
Base-Base interactions energy: -77.834
where: short stacking energy: -32.299
Base-Backbone interact. energy: -0.110
local terms energy: -60.057463
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -5.034
Dist. restrs. and SS energy: 0.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -125.492027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.492027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.535895 (E_RNA)
where:
Base-Base interactions energy: -69.397
where: short stacking energy: -35.133
Base-Backbone interact. energy: -0.690
local terms energy: -55.449166
where:
bonds (distance) C4'-P energy: -6.094
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -8.182
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -147.901254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.901254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.957867 (E_RNA)
where:
Base-Base interactions energy: -83.837
where: short stacking energy: -40.977
Base-Backbone interact. energy: -0.112
local terms energy: -64.008621
where:
bonds (distance) C4'-P energy: -18.936
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -10.843
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -8.380
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -125.697441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.697441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.712732 (E_RNA)
where:
Base-Base interactions energy: -76.072
where: short stacking energy: -40.315
Base-Backbone interact. energy: -0.186
local terms energy: -49.455458
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -11.086
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -5.818
tors. eta vs tors. theta energy: -3.872
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -207.584518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.584518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.741084 (E_RNA)
where:
Base-Base interactions energy: -125.874
where: short stacking energy: -69.056
Base-Backbone interact. energy: -0.074
local terms energy: -81.792668
where:
bonds (distance) C4'-P energy: -17.980
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -20.325
Dist. restrs. and SS energy: 0.157 (S_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: 12
Temperature: 0.950000
Total energy: -198.600250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.600250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.797425 (E_RNA)
where:
Base-Base interactions energy: -121.168
where: short stacking energy: -65.198
Base-Backbone interact. energy: -0.023
local terms energy: -77.606638
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -18.835
Dist. restrs. and SS energy: 0.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -177.058933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.058933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.146928 (E_RNA)
where:
Base-Base interactions energy: -108.285
where: short stacking energy: -58.858
Base-Backbone interact. energy: -0.051
local terms energy: -68.810770
where:
bonds (distance) C4'-P energy: -15.554
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -10.424
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -184.057437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.057437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.156923 (E_RNA)
where:
Base-Base interactions energy: -108.612
where: short stacking energy: -58.334
Base-Backbone interact. energy: -0.044
local terms energy: -75.500644
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -18.339
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -147.572182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.572182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.699887 (E_RNA)
where:
Base-Base interactions energy: -76.195
where: short stacking energy: -47.081
Base-Backbone interact. energy: -0.357
local terms energy: -71.147920
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -9.183
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -163.005779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.005779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.017235 (E_RNA)
where:
Base-Base interactions energy: -91.921
where: short stacking energy: -51.873
Base-Backbone interact. energy: -0.425
local terms energy: -70.671385
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -12.910
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -126.210335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.210335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.210335 (E_RNA)
where:
Base-Base interactions energy: -74.623
where: short stacking energy: -40.612
Base-Backbone interact. energy: -0.097
local terms energy: -51.490446
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -7.865
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -8.286
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: 10
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -139.032460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.032460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.064541 (E_RNA)
where:
Base-Base interactions energy: -74.819
where: short stacking energy: -45.484
Base-Backbone interact. energy: -0.157
local terms energy: -64.088818
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -17.518
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -10.501
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -131.028542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.028542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.028542 (E_RNA)
where:
Base-Base interactions energy: -73.511
where: short stacking energy: -42.656
Base-Backbone interact. energy: -0.003
local terms energy: -57.514443
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -7.776
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: 10, replica: 5
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -104.605906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.605906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.605906 (E_RNA)
where:
Base-Base interactions energy: -56.730
where: short stacking energy: -25.287
Base-Backbone interact. energy: -0.531
local terms energy: -47.345129
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -10.258
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: 2.257
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: 9
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -193.941384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.941384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.948644 (E_RNA)
where:
Base-Base interactions energy: -120.079
where: short stacking energy: -63.528
Base-Backbone interact. energy: -0.177
local terms energy: -73.691793
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -17.786
Dist. restrs. and SS energy: 0.007 (S_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: 13
Temperature: 0.950000
Total energy: -173.252225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.252225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.252225 (E_RNA)
where:
Base-Base interactions energy: -106.335
where: short stacking energy: -65.312
Base-Backbone interact. energy: -0.202
local terms energy: -66.715964
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -12.727
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -13.811
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: 3, replica: 4
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -174.545494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.545494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.545494 (E_RNA)
where:
Base-Base interactions energy: -103.402
where: short stacking energy: -60.100
Base-Backbone interact. energy: -0.100
local terms energy: -71.044135
where:
bonds (distance) C4'-P energy: -8.764
bonds (distance) P-C4' energy: -18.505
flat angles C4'-P-C4' energy: -18.545
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -14.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -156.124405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.124405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.170281 (E_RNA)
where:
Base-Base interactions energy: -85.705
where: short stacking energy: -55.022
Base-Backbone interact. energy: -0.005
local terms energy: -70.459705
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -10.664
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -13.710
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -177.155211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.155211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.172542 (E_RNA)
where:
Base-Base interactions energy: -102.718
where: short stacking energy: -54.154
Base-Backbone interact. energy: -0.529
local terms energy: -73.925712
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -14.981
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -148.534686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.534686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.534686 (E_RNA)
where:
Base-Base interactions energy: -85.266
where: short stacking energy: -46.515
Base-Backbone interact. energy: 0.038
local terms energy: -63.306296
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: -13.064
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: 7
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -139.577509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.577509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.592155 (E_RNA)
where:
Base-Base interactions energy: -77.354
where: short stacking energy: -37.969
Base-Backbone interact. energy: 0.596
local terms energy: -62.834341
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -11.842
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -132.752663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.752663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.808246 (E_RNA)
where:
Base-Base interactions energy: -76.174
where: short stacking energy: -40.329
Base-Backbone interact. energy: -0.115
local terms energy: -56.518347
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -3.791
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -154.597232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.597232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.603356 (E_RNA)
where:
Base-Base interactions energy: -101.436
where: short stacking energy: -51.727
Base-Backbone interact. energy: -0.202
local terms energy: -52.965591
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -9.017
flat angles P-C4'-P energy: -5.270
tors. eta vs tors. theta energy: -11.444
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -125.623921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.623921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.677523 (E_RNA)
where:
Base-Base interactions energy: -69.069
where: short stacking energy: -37.450
Base-Backbone interact. energy: -0.055
local terms energy: -56.554122
where:
bonds (distance) C4'-P energy: -6.887
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -11.469
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -196.335549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.335549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.335549 (E_RNA)
where:
Base-Base interactions energy: -116.075
where: short stacking energy: -70.649
Base-Backbone interact. energy: -0.002
local terms energy: -80.258626
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -20.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -200.162469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.162469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.385340 (E_RNA)
where:
Base-Base interactions energy: -116.892
where: short stacking energy: -67.712
Base-Backbone interact. energy: -0.014
local terms energy: -83.479397
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -23.137
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -183.419305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.419305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.908402 (E_RNA)
where:
Base-Base interactions energy: -119.364
where: short stacking energy: -68.943
Base-Backbone interact. energy: -0.106
local terms energy: -64.438563
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -9.854
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -16.269
Dist. restrs. and SS energy: 0.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -161.667120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.667120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.870899 (E_RNA)
where:
Base-Base interactions energy: -88.301
where: short stacking energy: -59.754
Base-Backbone interact. energy: -0.014
local terms energy: -73.556542
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -13.558
tors. eta vs tors. theta energy: -12.708
Dist. restrs. and SS energy: 0.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -168.529328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.529328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.529328 (E_RNA)
where:
Base-Base interactions energy: -101.353
where: short stacking energy: -62.052
Base-Backbone interact. energy: -0.445
local terms energy: -66.731882
where:
bonds (distance) C4'-P energy: -8.289
bonds (distance) P-C4' energy: -15.202
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -16.429
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -137.434832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.434832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.434832 (E_RNA)
where:
Base-Base interactions energy: -76.407
where: short stacking energy: -37.812
Base-Backbone interact. energy: -0.283
local terms energy: -60.744952
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -16.800
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -0.818
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: 2
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -137.744002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.744002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.834852 (E_RNA)
where:
Base-Base interactions energy: -73.969
where: short stacking energy: -33.067
Base-Backbone interact. energy: -0.779
local terms energy: -63.087271
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -15.057
tors. eta vs tors. theta energy: -4.804
Dist. restrs. and SS energy: 0.091 (S_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: 14
Temperature: 1.250000
Total energy: -136.235538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.235538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.237154 (E_RNA)
where:
Base-Base interactions energy: -82.402
where: short stacking energy: -46.900
Base-Backbone interact. energy: -0.019
local terms energy: -53.816196
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -11.043
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -3.034
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -130.285050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.285050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.285050 (E_RNA)
where:
Base-Base interactions energy: -77.569
where: short stacking energy: -47.943
Base-Backbone interact. energy: 2.543
local terms energy: -55.258304
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -10.754
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -10.800
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -133.420996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.420996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.483068 (E_RNA)
where:
Base-Base interactions energy: -71.247
where: short stacking energy: -32.676
Base-Backbone interact. energy: -0.551
local terms energy: -61.684852
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -5.961
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -197.313120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.313120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.350412 (E_RNA)
where:
Base-Base interactions energy: -120.568
where: short stacking energy: -74.540
Base-Backbone interact. energy: -0.005
local terms energy: -76.777683
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -15.787
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -186.718699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.718699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.718699 (E_RNA)
where:
Base-Base interactions energy: -112.299
where: short stacking energy: -69.030
Base-Backbone interact. energy: -0.007
local terms energy: -74.412612
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -17.660
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -15.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -177.166855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.166855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.166855 (E_RNA)
where:
Base-Base interactions energy: -109.968
where: short stacking energy: -59.810
Base-Backbone interact. energy: 0.431
local terms energy: -67.630194
where:
bonds (distance) C4'-P energy: -10.160
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -13.913
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: 1
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -167.368929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.368929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.731268 (E_RNA)
where:
Base-Base interactions energy: -100.378
where: short stacking energy: -57.362
Base-Backbone interact. energy: -0.616
local terms energy: -66.737183
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -12.926
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -15.471
Dist. restrs. and SS energy: 0.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -150.944914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.944914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.051362 (E_RNA)
where:
Base-Base interactions energy: -88.541
where: short stacking energy: -53.118
Base-Backbone interact. energy: -0.224
local terms energy: -62.286039
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -17.640
flat angles C4'-P-C4' energy: -10.786
flat angles P-C4'-P energy: -4.844
tors. eta vs tors. theta energy: -12.252
Dist. restrs. and SS energy: 0.106 (S_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: 15
Temperature: 1.150000
Total energy: -151.812159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.812159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.836995 (E_RNA)
where:
Base-Base interactions energy: -94.942
where: short stacking energy: -48.893
Base-Backbone interact. energy: -0.379
local terms energy: -56.516247
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -9.609
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -142.045373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.045373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.181476 (E_RNA)
where:
Base-Base interactions energy: -78.218
where: short stacking energy: -45.307
Base-Backbone interact. energy: -1.336
local terms energy: -62.627476
where:
bonds (distance) C4'-P energy: -16.900
bonds (distance) P-C4' energy: -15.668
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -1.556
tors. eta vs tors. theta energy: -11.092
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -126.274997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.274997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.274997 (E_RNA)
where:
Base-Base interactions energy: -65.389
where: short stacking energy: -30.852
Base-Backbone interact. energy: -1.009
local terms energy: -59.876167
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -6.025
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -120.258474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.258474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.258474 (E_RNA)
where:
Base-Base interactions energy: -67.538
where: short stacking energy: -45.038
Base-Backbone interact. energy: -0.126
local terms energy: -52.594732
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -11.084
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -0.830
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -146.350744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.350744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.509883 (E_RNA)
where:
Base-Base interactions energy: -90.608
where: short stacking energy: -39.421
Base-Backbone interact. energy: -0.581
local terms energy: -55.321046
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -8.383
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -10.239
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -188.501135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.501135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.555563 (E_RNA)
where:
Base-Base interactions energy: -114.684
where: short stacking energy: -64.008
Base-Backbone interact. energy: -0.004
local terms energy: -73.867508
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -16.982
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -190.235118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.235118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.235118 (E_RNA)
where:
Base-Base interactions energy: -120.784
where: short stacking energy: -53.605
Base-Backbone interact. energy: -0.406
local terms energy: -69.045151
where:
bonds (distance) C4'-P energy: -17.186
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -4.619
tors. eta vs tors. theta energy: -13.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -179.106812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.106812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.002922 (E_RNA)
where:
Base-Base interactions energy: -104.772
where: short stacking energy: -63.165
Base-Backbone interact. energy: -0.004
local terms energy: -75.227430
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -18.087
Dist. restrs. and SS energy: 0.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -182.774766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.774766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.774766 (E_RNA)
where:
Base-Base interactions energy: -107.846
where: short stacking energy: -63.004
Base-Backbone interact. energy: -0.189
local terms energy: -74.739572
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -18.462
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: 8
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -148.903902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.903902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.903902 (E_RNA)
where:
Base-Base interactions energy: -84.887
where: short stacking energy: -45.524
Base-Backbone interact. energy: -0.013
local terms energy: -64.004722
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -9.848
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: 2
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -139.461213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.461213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.461213 (E_RNA)
where:
Base-Base interactions energy: -78.757
where: short stacking energy: -43.440
Base-Backbone interact. energy: -0.219
local terms energy: -60.484486
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -8.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -158.236847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.236847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.265136 (E_RNA)
where:
Base-Base interactions energy: -94.315
where: short stacking energy: -44.890
Base-Backbone interact. energy: -0.107
local terms energy: -63.843392
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -15.894
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -13.129
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -121.662171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.662171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.662171 (E_RNA)
where:
Base-Base interactions energy: -70.398
where: short stacking energy: -34.068
Base-Backbone interact. energy: -1.260
local terms energy: -50.003923
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -3.588
tors. eta vs tors. theta energy: -6.274
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -126.208213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.208213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.208213 (E_RNA)
where:
Base-Base interactions energy: -70.492
where: short stacking energy: -25.986
Base-Backbone interact. energy: -0.187
local terms energy: -55.529779
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -1.970
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -121.973572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.973572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.984336 (E_RNA)
where:
Base-Base interactions energy: -59.149
where: short stacking energy: -26.627
Base-Backbone interact. energy: -0.454
local terms energy: -62.381543
where:
bonds (distance) C4'-P energy: -17.322
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -4.878
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -180.473735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.473735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.626363 (E_RNA)
where:
Base-Base interactions energy: -105.063
where: short stacking energy: -59.939
Base-Backbone interact. energy: -0.073
local terms energy: -75.490627
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -17.254
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -14.402
tors. eta vs tors. theta energy: -14.515
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -194.607208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.607208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.161220 (E_RNA)
where:
Base-Base interactions energy: -117.836
where: short stacking energy: -62.292
Base-Backbone interact. energy: -0.011
local terms energy: -77.314341
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -17.026
Dist. restrs. and SS energy: 0.554 (S_DIST_RNA)
chem. 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: -177.907964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.907964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.471928 (E_RNA)
where:
Base-Base interactions energy: -107.983
where: short stacking energy: -61.009
Base-Backbone interact. energy: 0.550
local terms energy: -71.038809
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -13.855
flat angles C4'-P-C4' energy: -19.660
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -13.608
Dist. restrs. and SS energy: 0.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -157.804385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.804385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.816793 (E_RNA)
where:
Base-Base interactions energy: -88.772
where: short stacking energy: -54.345
Base-Backbone interact. energy: -0.023
local terms energy: -69.022017
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -14.849
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -166.050796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.050796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.646419 (E_RNA)
where:
Base-Base interactions energy: -94.954
where: short stacking energy: -55.663
Base-Backbone interact. energy: -0.011
local terms energy: -71.681725
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -18.588
Dist. restrs. and SS energy: 0.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -151.527646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.527646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.905129 (E_RNA)
where:
Base-Base interactions energy: -91.141
where: short stacking energy: -51.566
Base-Backbone interact. energy: -0.002
local terms energy: -60.762618
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -8.425
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -11.086
Dist. restrs. and SS energy: 0.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -157.530543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.530543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.659601 (E_RNA)
where:
Base-Base interactions energy: -97.355
where: short stacking energy: -55.545
Base-Backbone interact. energy: -0.122
local terms energy: -60.182591
where:
bonds (distance) C4'-P energy: -9.800
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -4.539
tors. eta vs tors. theta energy: -15.155
Dist. restrs. and SS energy: 0.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -128.520545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.520545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.544998 (E_RNA)
where:
Base-Base interactions energy: -77.482
where: short stacking energy: -46.067
Base-Backbone interact. energy: -0.304
local terms energy: -50.758189
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -11.978
flat angles C4'-P-C4' energy: -11.803
flat angles P-C4'-P energy: -6.420
tors. eta vs tors. theta energy: -4.492
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -127.573954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.573954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.575575 (E_RNA)
where:
Base-Base interactions energy: -67.149
where: short stacking energy: -38.907
Base-Backbone interact. energy: -0.148
local terms energy: -60.279280
where:
bonds (distance) C4'-P energy: -14.187
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -10.442
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -124.888667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.888667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.113231 (E_RNA)
where:
Base-Base interactions energy: -78.154
where: short stacking energy: -29.046
Base-Backbone interact. energy: -0.176
local terms energy: -46.784188
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -6.343
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -3.985
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -208.632070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.632070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.632070 (E_RNA)
where:
Base-Base interactions energy: -119.638
where: short stacking energy: -72.456
Base-Backbone interact. energy: -0.126
local terms energy: -88.868209
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -16.100
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: 2, replica: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -191.345876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.345876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.367892 (E_RNA)
where:
Base-Base interactions energy: -117.006
where: short stacking energy: -63.666
Base-Backbone interact. energy: -0.094
local terms energy: -74.267471
where:
bonds (distance) C4'-P energy: -15.951
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -12.989
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -190.355951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.355951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.426898 (E_RNA)
where:
Base-Base interactions energy: -112.980
where: short stacking energy: -64.747
Base-Backbone interact. energy: -0.100
local terms energy: -77.346352
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: -21.678
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -166.034764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.034764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.145619 (E_RNA)
where:
Base-Base interactions energy: -98.672
where: short stacking energy: -52.619
Base-Backbone interact. energy: -0.034
local terms energy: -67.439395
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -14.022
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -161.034110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.034110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.170680 (E_RNA)
where:
Base-Base interactions energy: -97.887
where: short stacking energy: -53.856
Base-Backbone interact. energy: -0.060
local terms energy: -63.223147
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -11.287
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -154.348309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.348309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.906862 (E_RNA)
where:
Base-Base interactions energy: -95.237
where: short stacking energy: -53.700
Base-Backbone interact. energy: 0.841
local terms energy: -60.510473
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -5.211
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -13.649
Dist. restrs. and SS energy: 0.559 (S_DIST_RNA)
chem. 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: -139.033425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.033425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.098895 (E_RNA)
where:
Base-Base interactions energy: -84.683
where: short stacking energy: -45.866
Base-Backbone interact. energy: 0.694
local terms energy: -55.109485
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -3.256
tors. eta vs tors. theta energy: -7.575
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -150.791672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.791672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.791672 (E_RNA)
where:
Base-Base interactions energy: -81.563
where: short stacking energy: -50.694
Base-Backbone interact. energy: -0.019
local terms energy: -69.209621
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -12.963
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -129.729089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.729089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.908957 (E_RNA)
where:
Base-Base interactions energy: -71.772
where: short stacking energy: -40.346
Base-Backbone interact. energy: -0.062
local terms energy: -58.075389
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -10.423
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -5.709
Dist. restrs. and SS energy: 0.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -129.463388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.463388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.740154 (E_RNA)
where:
Base-Base interactions energy: -73.715
where: short stacking energy: -32.572
Base-Backbone interact. energy: -0.331
local terms energy: -55.695021
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -6.175
tors. eta vs tors. theta energy: -6.198
Dist. restrs. and SS energy: 0.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -197.035724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.035724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.377636 (E_RNA)
where:
Base-Base interactions energy: -121.439
where: short stacking energy: -75.659
Base-Backbone interact. energy: 0.225
local terms energy: -76.163074
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -20.678
Dist. restrs. and SS energy: 0.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -205.488513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.488513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.488513 (E_RNA)
where:
Base-Base interactions energy: -128.921
where: short stacking energy: -78.590
Base-Backbone interact. energy: -0.041
local terms energy: -76.526670
where:
bonds (distance) C4'-P energy: -16.324
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -20.150
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -192.463973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.463973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.463973 (E_RNA)
where:
Base-Base interactions energy: -108.264
where: short stacking energy: -66.884
Base-Backbone interact. energy: -0.012
local terms energy: -84.187728
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -18.304
flat angles P-C4'-P energy: -13.489
tors. eta vs tors. theta energy: -19.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -168.826072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.826072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.127740 (E_RNA)
where:
Base-Base interactions energy: -102.050
where: short stacking energy: -51.210
Base-Backbone interact. energy: -0.254
local terms energy: -66.824643
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -14.640
Dist. restrs. and SS energy: 0.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -166.980360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.980360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.012597 (E_RNA)
where:
Base-Base interactions energy: -96.236
where: short stacking energy: -57.014
Base-Backbone interact. energy: -0.023
local terms energy: -70.754157
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -18.093
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -176.790159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.790159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.010456 (E_RNA)
where:
Base-Base interactions energy: -106.367
where: short stacking energy: -58.921
Base-Backbone interact. energy: -0.061
local terms energy: -70.581969
where:
bonds (distance) C4'-P energy: -15.761
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -17.463
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -138.304872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.304872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.304872 (E_RNA)
where:
Base-Base interactions energy: -84.695
where: short stacking energy: -45.790
Base-Backbone interact. energy: -0.040
local terms energy: -53.569788
where:
bonds (distance) C4'-P energy: -17.314
bonds (distance) P-C4' energy: -10.323
flat angles C4'-P-C4' energy: -11.337
flat angles P-C4'-P energy: -5.002
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: 8, replica: 7
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -143.395381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.395381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.765173 (E_RNA)
where:
Base-Base interactions energy: -79.742
where: short stacking energy: -37.988
Base-Backbone interact. energy: -0.320
local terms energy: -63.702490
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -10.745
Dist. restrs. and SS energy: 0.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -126.162154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.162154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.187367 (E_RNA)
where:
Base-Base interactions energy: -70.072
where: short stacking energy: -40.137
Base-Backbone interact. energy: -0.145
local terms energy: -55.970284
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -7.695
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -5.388
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -137.284839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.284839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.284839 (E_RNA)
where:
Base-Base interactions energy: -76.124
where: short stacking energy: -35.945
Base-Backbone interact. energy: -0.810
local terms energy: -60.350669
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -10.574
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -9.448
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -202.156711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.156711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.222254 (E_RNA)
where:
Base-Base interactions energy: -120.922
where: short stacking energy: -64.503
Base-Backbone interact. energy: -0.016
local terms energy: -81.284619
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -17.784
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -192.571067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.571067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.681697 (E_RNA)
where:
Base-Base interactions energy: -118.325
where: short stacking energy: -71.910
Base-Backbone interact. energy: -0.189
local terms energy: -74.168066
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -19.491
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -184.531247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.531247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.547154 (E_RNA)
where:
Base-Base interactions energy: -105.006
where: short stacking energy: -59.101
Base-Backbone interact. energy: -0.379
local terms energy: -79.162060
where:
bonds (distance) C4'-P energy: -17.276
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -18.639
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -15.404
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -154.783463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.783463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.053141 (E_RNA)
where:
Base-Base interactions energy: -95.064
where: short stacking energy: -44.146
Base-Backbone interact. energy: 1.735
local terms energy: -61.724570
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -9.912
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -158.024857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.024857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.179824 (E_RNA)
where:
Base-Base interactions energy: -93.117
where: short stacking energy: -48.778
Base-Backbone interact. energy: -0.140
local terms energy: -64.923464
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -10.466
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -11.076
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -146.920079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.920079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.063796 (E_RNA)
where:
Base-Base interactions energy: -88.143
where: short stacking energy: -42.101
Base-Backbone interact. energy: -0.165
local terms energy: -58.756041
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -8.856
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -5.465
Dist. restrs. and SS energy: 0.144 (S_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: 20
Temperature: 1.200000
Total energy: -153.264344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.264344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.287719 (E_RNA)
where:
Base-Base interactions energy: -82.759
where: short stacking energy: -39.365
Base-Backbone interact. energy: -0.173
local terms energy: -70.355542
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -12.056
Dist. restrs. and SS energy: 0.023 (S_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: 20
Temperature: 1.250000
Total energy: -139.510849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.510849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.696938 (E_RNA)
where:
Base-Base interactions energy: -79.009
where: short stacking energy: -35.674
Base-Backbone interact. energy: -0.604
local terms energy: -60.084167
where:
bonds (distance) C4'-P energy: -12.164
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -5.393
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -134.403105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.403105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.442429 (E_RNA)
where:
Base-Base interactions energy: -82.512
where: short stacking energy: -45.114
Base-Backbone interact. energy: -0.375
local terms energy: -51.555443
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -7.347
flat angles P-C4'-P energy: -5.785
tors. eta vs tors. theta energy: -6.831
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -121.383968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.383968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.407922 (E_RNA)
where:
Base-Base interactions energy: -57.171
where: short stacking energy: -30.691
Base-Backbone interact. energy: -0.024
local terms energy: -64.213528
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -14.953
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -8.321
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -202.750644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.750644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.972896 (E_RNA)
where:
Base-Base interactions energy: -117.638
where: short stacking energy: -68.937
Base-Backbone interact. energy: -0.108
local terms energy: -85.226271
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -22.886
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -195.301966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.301966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.416169 (E_RNA)
where:
Base-Base interactions energy: -120.261
where: short stacking energy: -66.684
Base-Backbone interact. energy: 0.125
local terms energy: -75.280023
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -6.474
tors. eta vs tors. theta energy: -19.378
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -179.494767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.494767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.494767 (E_RNA)
where:
Base-Base interactions energy: -106.647
where: short stacking energy: -62.442
Base-Backbone interact. energy: -0.011
local terms energy: -72.836389
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -15.422
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: 9
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -168.368103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.368103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.368103 (E_RNA)
where:
Base-Base interactions energy: -99.423
where: short stacking energy: -60.761
Base-Backbone interact. energy: -0.111
local terms energy: -68.833923
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -13.690
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: 5, replica: 3
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -163.645075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.645075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.650175 (E_RNA)
where:
Base-Base interactions energy: -94.817
where: short stacking energy: -53.181
Base-Backbone interact. energy: -0.166
local terms energy: -68.667372
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -10.477
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -158.704459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.704459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.704459 (E_RNA)
where:
Base-Base interactions energy: -98.024
where: short stacking energy: -47.130
Base-Backbone interact. energy: -0.014
local terms energy: -60.666686
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -10.488
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -11.820
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: 7
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -163.520944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.520944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.760125 (E_RNA)
where:
Base-Base interactions energy: -98.308
where: short stacking energy: -50.664
Base-Backbone interact. energy: -0.344
local terms energy: -65.107232
where:
bonds (distance) C4'-P energy: -8.484
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -14.945
Dist. restrs. and SS energy: 0.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -139.906638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.906638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.806137 (E_RNA)
where:
Base-Base interactions energy: -89.120
where: short stacking energy: -39.450
Base-Backbone interact. energy: -0.120
local terms energy: -51.566313
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -8.983
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -8.807
Dist. restrs. and SS energy: 0.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -130.769607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.769607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.772368 (E_RNA)
where:
Base-Base interactions energy: -77.742
where: short stacking energy: -41.252
Base-Backbone interact. energy: -1.071
local terms energy: -51.959382
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -5.350
tors. eta vs tors. theta energy: -7.118
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -120.449442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.449442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.449442 (E_RNA)
where:
Base-Base interactions energy: -61.717
where: short stacking energy: -32.589
Base-Backbone interact. energy: -0.045
local terms energy: -58.687497
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -10.838
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -12.457
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: 1, replica: 8
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -197.678071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.678071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.855763 (E_RNA)
where:
Base-Base interactions energy: -121.442
where: short stacking energy: -72.715
Base-Backbone interact. energy: -0.100
local terms energy: -76.313464
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -14.121
tors. eta vs tors. theta energy: -20.874
Dist. restrs. and SS energy: 0.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -191.521823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.521823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.005694 (E_RNA)
where:
Base-Base interactions energy: -118.277
where: short stacking energy: -62.292
Base-Backbone interact. energy: -0.003
local terms energy: -73.725732
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -13.746
tors. eta vs tors. theta energy: -14.647
Dist. restrs. and SS energy: 0.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -183.074478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.074478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.459332 (E_RNA)
where:
Base-Base interactions energy: -115.367
where: short stacking energy: -58.894
Base-Backbone interact. energy: -0.027
local terms energy: -68.065257
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -13.658
Dist. restrs. and SS energy: 0.385 (S_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: 22
Temperature: 1.050000
Total energy: -180.271431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.271431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.271431 (E_RNA)
where:
Base-Base interactions energy: -109.565
where: short stacking energy: -63.161
Base-Backbone interact. energy: -1.716
local terms energy: -68.990782
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -18.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -178.426092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.426092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.426092 (E_RNA)
where:
Base-Base interactions energy: -104.090
where: short stacking energy: -58.040
Base-Backbone interact. energy: -0.123
local terms energy: -74.213058
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -15.865
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -163.748473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.748473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.748473 (E_RNA)
where:
Base-Base interactions energy: -92.135
where: short stacking energy: -49.663
Base-Backbone interact. energy: -0.014
local terms energy: -71.599693
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -7.320
tors. eta vs tors. theta energy: -14.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -137.801573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.801573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.848555 (E_RNA)
where:
Base-Base interactions energy: -80.919
where: short stacking energy: -45.665
Base-Backbone interact. energy: -0.159
local terms energy: -56.770376
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -11.491
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -11.552
Dist. restrs. and SS energy: 0.047 (S_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: -144.959776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.959776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.959776 (E_RNA)
where:
Base-Base interactions energy: -85.032
where: short stacking energy: -32.106
Base-Backbone interact. energy: -0.185
local terms energy: -59.742976
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -7.839
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -139.406267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.406267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.430991 (E_RNA)
where:
Base-Base interactions energy: -85.060
where: short stacking energy: -47.293
Base-Backbone interact. energy: -0.055
local terms energy: -54.316286
where:
bonds (distance) C4'-P energy: -7.184
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -8.555
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -136.345335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.345335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.347938 (E_RNA)
where:
Base-Base interactions energy: -78.965
where: short stacking energy: -44.673
Base-Backbone interact. energy: -0.167
local terms energy: -57.216033
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: -8.884
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -206.461164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.461164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.475391 (E_RNA)
where:
Base-Base interactions energy: -125.681
where: short stacking energy: -79.177
Base-Backbone interact. energy: -0.092
local terms energy: -80.702507
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -13.495
tors. eta vs tors. theta energy: -22.510
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -193.286395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.286395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.324494 (E_RNA)
where:
Base-Base interactions energy: -118.409
where: short stacking energy: -71.400
Base-Backbone interact. energy: -0.012
local terms energy: -74.904045
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -20.513
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -187.414173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.414173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.438584 (E_RNA)
where:
Base-Base interactions energy: -116.881
where: short stacking energy: -68.079
Base-Backbone interact. energy: -1.433
local terms energy: -69.123853
where:
bonds (distance) C4'-P energy: -16.125
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -11.264
flat angles P-C4'-P energy: -12.456
tors. eta vs tors. theta energy: -16.759
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -178.115422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.115422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.115422 (E_RNA)
where:
Base-Base interactions energy: -108.080
where: short stacking energy: -60.026
Base-Backbone interact. energy: -0.415
local terms energy: -69.620793
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -18.725
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: 4
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -161.096060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.096060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.157811 (E_RNA)
where:
Base-Base interactions energy: -89.118
where: short stacking energy: -57.402
Base-Backbone interact. energy: -0.001
local terms energy: -72.038788
where:
bonds (distance) C4'-P energy: -17.120
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -17.537
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -10.950
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -148.600806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.600806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.646175 (E_RNA)
where:
Base-Base interactions energy: -87.051
where: short stacking energy: -52.672
Base-Backbone interact. energy: -0.011
local terms energy: -61.583890
where:
bonds (distance) C4'-P energy: -7.075
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -12.150
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. 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: -161.240960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.240960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.260518 (E_RNA)
where:
Base-Base interactions energy: -101.748
where: short stacking energy: -58.481
Base-Backbone interact. energy: -0.068
local terms energy: -59.444367
where:
bonds (distance) C4'-P energy: -7.555
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: -14.710
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -144.551436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.551436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.589254 (E_RNA)
where:
Base-Base interactions energy: -79.460
where: short stacking energy: -41.217
Base-Backbone interact. energy: -0.714
local terms energy: -64.415249
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -10.997
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -138.724800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.724800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.750985 (E_RNA)
where:
Base-Base interactions energy: -85.092
where: short stacking energy: -40.971
Base-Backbone interact. energy: -0.218
local terms energy: -53.440702
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -11.617
flat angles C4'-P-C4' energy: -9.806
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -6.215
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -131.941500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.941500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.945998 (E_RNA)
where:
Base-Base interactions energy: -75.287
where: short stacking energy: -40.779
Base-Backbone interact. energy: 0.108
local terms energy: -56.767395
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -10.067
flat angles P-C4'-P energy: -4.946
tors. eta vs tors. theta energy: -11.370
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -197.762632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.762632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.153563 (E_RNA)
where:
Base-Base interactions energy: -117.758
where: short stacking energy: -70.745
Base-Backbone interact. energy: -0.032
local terms energy: -80.363757
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -18.133
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -21.225
Dist. restrs. and SS energy: 0.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -191.150333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.150333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.184197 (E_RNA)
where:
Base-Base interactions energy: -108.157
where: short stacking energy: -62.155
Base-Backbone interact. energy: -0.050
local terms energy: -82.977087
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -18.740
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -18.908
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -186.763944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.763944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.815521 (E_RNA)
where:
Base-Base interactions energy: -107.623
where: short stacking energy: -60.878
Base-Backbone interact. energy: 1.208
local terms energy: -80.401055
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -19.339
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -171.915880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.915880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.956866 (E_RNA)
where:
Base-Base interactions energy: -98.260
where: short stacking energy: -52.722
Base-Backbone interact. energy: -0.148
local terms energy: -73.549222
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -18.313
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -15.180
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -162.868439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.868439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.868439 (E_RNA)
where:
Base-Base interactions energy: -98.147
where: short stacking energy: -52.302
Base-Backbone interact. energy: -0.272
local terms energy: -64.449188
where:
bonds (distance) C4'-P energy: -18.204
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -9.472
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -151.762715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.762715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.628852 (E_RNA)
where:
Base-Base interactions energy: -85.112
where: short stacking energy: -54.929
Base-Backbone interact. energy: -0.161
local terms energy: -67.355530
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -9.709
Dist. restrs. and SS energy: 0.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -144.984832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.984832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.994997 (E_RNA)
where:
Base-Base interactions energy: -93.839
where: short stacking energy: -45.771
Base-Backbone interact. energy: -0.085
local terms energy: -51.071339
where:
bonds (distance) C4'-P energy: -9.891
bonds (distance) P-C4' energy: -11.601
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -4.253
tors. eta vs tors. theta energy: -8.213
Dist. restrs. and SS energy: 0.010 (S_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: 24
Temperature: 1.250000
Total energy: -131.694560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.694560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.696633 (E_RNA)
where:
Base-Base interactions energy: -77.516
where: short stacking energy: -40.643
Base-Backbone interact. energy: -1.508
local terms energy: -52.672644
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -3.760
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -9.322
Dist. restrs. and SS energy: 0.002 (S_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: 24
Temperature: 1.300000
Total energy: -133.822717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.822717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.152477 (E_RNA)
where:
Base-Base interactions energy: -84.097
where: short stacking energy: -38.202
Base-Backbone interact. energy: -0.412
local terms energy: -49.643908
where:
bonds (distance) C4'-P energy: -12.532
bonds (distance) P-C4' energy: -15.031
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -3.726
tors. eta vs tors. theta energy: -4.606
Dist. restrs. and SS energy: 0.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -139.438623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.438623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.438623 (E_RNA)
where:
Base-Base interactions energy: -77.555
where: short stacking energy: -41.397
Base-Backbone interact. energy: -0.133
local terms energy: -61.750234
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -9.252
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: 8
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -188.244540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.244540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.244540 (E_RNA)
where:
Base-Base interactions energy: -111.393
where: short stacking energy: -64.023
Base-Backbone interact. energy: -0.709
local terms energy: -76.142223
where:
bonds (distance) C4'-P energy: -18.093
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -17.799
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -184.801477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.801477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.897221 (E_RNA)
where:
Base-Base interactions energy: -110.464
where: short stacking energy: -58.926
Base-Backbone interact. energy: -0.269
local terms energy: -74.163918
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -10.549
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -17.096
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -179.359888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.359888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.403717 (E_RNA)
where:
Base-Base interactions energy: -105.882
where: short stacking energy: -64.613
Base-Backbone interact. energy: -0.019
local terms energy: -73.502622
where:
bonds (distance) C4'-P energy: -10.702
bonds (distance) P-C4' energy: -19.843
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -10.304
tors. eta vs tors. theta energy: -17.144
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -173.045431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.045431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.360771 (E_RNA)
where:
Base-Base interactions energy: -107.788
where: short stacking energy: -56.877
Base-Backbone interact. energy: -0.149
local terms energy: -65.424076
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -9.610
flat angles P-C4'-P energy: -15.075
tors. eta vs tors. theta energy: -11.457
Dist. restrs. and SS energy: 0.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -180.184364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.184364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.215554 (E_RNA)
where:
Base-Base interactions energy: -106.391
where: short stacking energy: -61.166
Base-Backbone interact. energy: -0.001
local terms energy: -73.823173
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -18.108
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. 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: -163.105971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.105971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.105971 (E_RNA)
where:
Base-Base interactions energy: -94.657
where: short stacking energy: -53.742
Base-Backbone interact. energy: -0.035
local terms energy: -68.414497
where:
bonds (distance) C4'-P energy: -17.177
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -10.695
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -12.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -148.947512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.947512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.394046 (E_RNA)
where:
Base-Base interactions energy: -94.530
where: short stacking energy: -50.669
Base-Backbone interact. energy: -0.055
local terms energy: -54.809633
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -11.003
flat angles P-C4'-P energy: -4.463
tors. eta vs tors. theta energy: -11.235
Dist. restrs. and SS energy: 0.447 (S_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: 25
Temperature: 1.250000
Total energy: -153.241809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.241809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.275102 (E_RNA)
where:
Base-Base interactions energy: -92.026
where: short stacking energy: -46.402
Base-Backbone interact. energy: 0.132
local terms energy: -61.381038
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -10.444
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -13.624
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -136.777034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.777034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.986974 (E_RNA)
where:
Base-Base interactions energy: -81.643
where: short stacking energy: -32.333
Base-Backbone interact. energy: -0.116
local terms energy: -55.227918
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -8.411
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -6.161
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -118.004570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.004570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.171045 (E_RNA)
where:
Base-Base interactions energy: -67.723
where: short stacking energy: -37.172
Base-Backbone interact. energy: 0.484
local terms energy: -50.932182
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -9.062
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -4.328
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -216.056488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.056488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.110972 (E_RNA)
where:
Base-Base interactions energy: -126.930
where: short stacking energy: -76.921
Base-Backbone interact. energy: -0.098
local terms energy: -89.083106
where:
bonds (distance) C4'-P energy: -17.561
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -19.057
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -23.835
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -183.358597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.358597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.577059 (E_RNA)
where:
Base-Base interactions energy: -111.695
where: short stacking energy: -60.316
Base-Backbone interact. energy: -0.029
local terms energy: -71.853508
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -17.954
Dist. restrs. and SS energy: 0.218 (S_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: 26
Temperature: 1.000000
Total energy: -165.484084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.484084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.484084 (E_RNA)
where:
Base-Base interactions energy: -97.117
where: short stacking energy: -57.193
Base-Backbone interact. energy: -0.101
local terms energy: -68.265574
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -13.050
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -169.517172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.517172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.651971 (E_RNA)
where:
Base-Base interactions energy: -96.673
where: short stacking energy: -61.551
Base-Backbone interact. energy: -0.002
local terms energy: -72.977234
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -14.609
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -141.784408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.784408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.784408 (E_RNA)
where:
Base-Base interactions energy: -84.186
where: short stacking energy: -56.758
Base-Backbone interact. energy: -0.087
local terms energy: -57.510878
where:
bonds (distance) C4'-P energy: -13.186
bonds (distance) P-C4' energy: -15.851
flat angles C4'-P-C4' energy: -9.934
flat angles P-C4'-P energy: -5.901
tors. eta vs tors. theta energy: -12.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -158.723006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.723006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.142886 (E_RNA)
where:
Base-Base interactions energy: -98.570
where: short stacking energy: -54.267
Base-Backbone interact. energy: -0.409
local terms energy: -60.163504
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -9.236
Dist. restrs. and SS energy: 0.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -143.476798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.476798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.524477 (E_RNA)
where:
Base-Base interactions energy: -85.101
where: short stacking energy: -51.325
Base-Backbone interact. energy: -0.275
local terms energy: -58.148796
where:
bonds (distance) C4'-P energy: -11.741
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -8.496
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -135.623422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.623422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.635813 (E_RNA)
where:
Base-Base interactions energy: -85.149
where: short stacking energy: -46.248
Base-Backbone interact. energy: -0.095
local terms energy: -50.391490
where:
bonds (distance) C4'-P energy: -12.975
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -6.863
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -125.957788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.957788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.965445 (E_RNA)
where:
Base-Base interactions energy: -78.754
where: short stacking energy: -40.484
Base-Backbone interact. energy: -0.930
local terms energy: -46.281968
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -12.121
flat angles C4'-P-C4' energy: -8.673
flat angles P-C4'-P energy: -5.847
tors. eta vs tors. theta energy: -4.307
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -115.831497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.831497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.831497 (E_RNA)
where:
Base-Base interactions energy: -59.269
where: short stacking energy: -28.197
Base-Backbone interact. energy: 1.411
local terms energy: -57.974378
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -18.845
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -3.941
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: 9
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -210.759695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.759695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.759695 (E_RNA)
where:
Base-Base interactions energy: -130.820
where: short stacking energy: -80.982
Base-Backbone interact. energy: -0.553
local terms energy: -79.386325
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -19.405
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -20.499
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: 8
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -186.267777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.267777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.759990 (E_RNA)
where:
Base-Base interactions energy: -107.836
where: short stacking energy: -65.687
Base-Backbone interact. energy: 0.109
local terms energy: -79.032309
where:
bonds (distance) C4'-P energy: -15.624
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -18.913
Dist. restrs. and SS energy: 0.492 (S_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: 27
Temperature: 1.000000
Total energy: -193.219069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.219069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.734769 (E_RNA)
where:
Base-Base interactions energy: -117.531
where: short stacking energy: -60.210
Base-Backbone interact. energy: -0.392
local terms energy: -75.812023
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -15.947
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -17.195
Dist. restrs. and SS energy: 0.516 (S_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: 27
Temperature: 1.050000
Total energy: -156.794622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.794622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.872468 (E_RNA)
where:
Base-Base interactions energy: -93.443
where: short stacking energy: -49.672
Base-Backbone interact. energy: -0.326
local terms energy: -63.103137
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -8.989
Dist. restrs. and SS energy: 0.078 (S_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: -145.357417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.357417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.357417 (E_RNA)
where:
Base-Base interactions energy: -89.052
where: short stacking energy: -48.489
Base-Backbone interact. energy: 0.412
local terms energy: -56.717343
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -12.076
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -8.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -148.907888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.907888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.907888 (E_RNA)
where:
Base-Base interactions energy: -86.018
where: short stacking energy: -44.910
Base-Backbone interact. energy: -0.097
local terms energy: -62.792267
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -12.853
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: 1
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -144.850048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.850048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.861040 (E_RNA)
where:
Base-Base interactions energy: -89.147
where: short stacking energy: -48.121
Base-Backbone interact. energy: -0.144
local terms energy: -55.570686
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -4.070
Dist. restrs. and SS energy: 0.011 (S_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: -126.136509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.136509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.136509 (E_RNA)
where:
Base-Base interactions energy: -73.056
where: short stacking energy: -39.518
Base-Backbone interact. energy: -0.148
local terms energy: -52.932972
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -3.269
tors. eta vs tors. theta energy: -5.404
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -131.238208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.238208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.260189 (E_RNA)
where:
Base-Base interactions energy: -78.368
where: short stacking energy: -29.716
Base-Backbone interact. energy: -1.478
local terms energy: -51.414525
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -7.164
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -5.915
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -122.455750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.455750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.176720 (E_RNA)
where:
Base-Base interactions energy: -67.750
where: short stacking energy: -27.371
Base-Backbone interact. energy: -0.014
local terms energy: -55.412880
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -6.054
tors. eta vs tors. theta energy: -3.030
Dist. restrs. and SS energy: 0.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -205.165694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.165694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.165694 (E_RNA)
where:
Base-Base interactions energy: -120.401
where: short stacking energy: -75.028
Base-Backbone interact. energy: -0.217
local terms energy: -84.547142
where:
bonds (distance) C4'-P energy: -19.181
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -17.878
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -20.683
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -176.326324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.326324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.453673 (E_RNA)
where:
Base-Base interactions energy: -105.253
where: short stacking energy: -59.476
Base-Backbone interact. energy: -0.010
local terms energy: -71.190682
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -17.988
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -11.115
Dist. restrs. and SS energy: 0.127 (S_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: 28
Temperature: 1.000000
Total energy: -185.964360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.964360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.280434 (E_RNA)
where:
Base-Base interactions energy: -109.649
where: short stacking energy: -61.165
Base-Backbone interact. energy: 0.073
local terms energy: -76.705075
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -16.861
Dist. restrs. and SS energy: 0.316 (S_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: 28
Temperature: 1.050000
Total energy: -173.678993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.678993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.678993 (E_RNA)
where:
Base-Base interactions energy: -104.760
where: short stacking energy: -61.482
Base-Backbone interact. energy: -0.184
local terms energy: -68.735439
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -12.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -142.401407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.401407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.468546 (E_RNA)
where:
Base-Base interactions energy: -83.868
where: short stacking energy: -45.219
Base-Backbone interact. energy: -0.164
local terms energy: -58.436534
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -12.013
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -10.979
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -153.914258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.914258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.951725 (E_RNA)
where:
Base-Base interactions energy: -89.326
where: short stacking energy: -49.286
Base-Backbone interact. energy: 0.696
local terms energy: -65.322008
where:
bonds (distance) C4'-P energy: -11.972
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -3.931
tors. eta vs tors. theta energy: -14.868
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -160.295798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.295798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.654810 (E_RNA)
where:
Base-Base interactions energy: -98.116
where: short stacking energy: -49.132
Base-Backbone interact. energy: 1.474
local terms energy: -64.012679
where:
bonds (distance) C4'-P energy: -12.060
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -14.788
Dist. restrs. and SS energy: 0.359 (S_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: -144.758138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.758138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.957942 (E_RNA)
where:
Base-Base interactions energy: -91.353
where: short stacking energy: -53.213
Base-Backbone interact. energy: -0.029
local terms energy: -53.576326
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -11.399
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -6.729
tors. eta vs tors. theta energy: -10.069
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -123.385939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.385939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.590033 (E_RNA)
where:
Base-Base interactions energy: -77.318
where: short stacking energy: -38.170
Base-Backbone interact. energy: -0.181
local terms energy: -46.090054
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -5.910
flat angles C4'-P-C4' energy: -10.024
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -5.818
Dist. restrs. and SS energy: 0.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -126.223068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.223068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.223068 (E_RNA)
where:
Base-Base interactions energy: -68.888
where: short stacking energy: -30.580
Base-Backbone interact. energy: -0.317
local terms energy: -57.018023
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -3.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -195.775872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.775872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.775872 (E_RNA)
where:
Base-Base interactions energy: -116.600
where: short stacking energy: -65.901
Base-Backbone interact. energy: -0.053
local terms energy: -79.122798
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -17.658
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: 6
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -186.991625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.991625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.991625 (E_RNA)
where:
Base-Base interactions energy: -110.556
where: short stacking energy: -67.381
Base-Backbone interact. energy: 0.447
local terms energy: -76.882759
where:
bonds (distance) C4'-P energy: -13.095
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -18.720
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -178.757288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.757288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.757288 (E_RNA)
where:
Base-Base interactions energy: -107.916
where: short stacking energy: -66.987
Base-Backbone interact. energy: -0.011
local terms energy: -70.829786
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -19.793
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -13.743
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -162.880810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.880810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.927408 (E_RNA)
where:
Base-Base interactions energy: -105.172
where: short stacking energy: -57.793
Base-Backbone interact. energy: -0.319
local terms energy: -57.436800
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -5.024
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -172.465040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.465040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.309097 (E_RNA)
where:
Base-Base interactions energy: -106.267
where: short stacking energy: -61.781
Base-Backbone interact. energy: -0.080
local terms energy: -66.962132
where:
bonds (distance) C4'-P energy: -10.364
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -17.747
Dist. restrs. and SS energy: 0.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -144.173950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.173950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.277918 (E_RNA)
where:
Base-Base interactions energy: -79.587
where: short stacking energy: -46.941
Base-Backbone interact. energy: -0.069
local terms energy: -64.621921
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -9.842
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -14.183
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -141.155612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.155612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.192454 (E_RNA)
where:
Base-Base interactions energy: -84.096
where: short stacking energy: -46.547
Base-Backbone interact. energy: -0.463
local terms energy: -56.633608
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -5.379
tors. eta vs tors. theta energy: -8.795
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -134.935228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.935228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.044788 (E_RNA)
where:
Base-Base interactions energy: -73.454
where: short stacking energy: -32.032
Base-Backbone interact. energy: -0.520
local terms energy: -61.071241
where:
bonds (distance) C4'-P energy: -16.888
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -6.857
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -116.705593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.705593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.928053 (E_RNA)
where:
Base-Base interactions energy: -67.621
where: short stacking energy: -34.279
Base-Backbone interact. energy: 0.308
local terms energy: -49.615134
where:
bonds (distance) C4'-P energy: -10.719
bonds (distance) P-C4' energy: -16.017
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -1.129
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -127.770357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.770357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.784528 (E_RNA)
where:
Base-Base interactions energy: -72.560
where: short stacking energy: -38.880
Base-Backbone interact. energy: -0.588
local terms energy: -54.636055
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -11.207
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -2.390
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -199.269388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.269388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.530950 (E_RNA)
where:
Base-Base interactions energy: -118.373
where: short stacking energy: -73.991
Base-Backbone interact. energy: -0.061
local terms energy: -81.096915
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -21.036
Dist. restrs. and SS energy: 0.262 (S_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: -184.972193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.972193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.223618 (E_RNA)
where:
Base-Base interactions energy: -106.626
where: short stacking energy: -66.293
Base-Backbone interact. energy: -0.011
local terms energy: -78.586410
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -18.550
Dist. restrs. and SS energy: 0.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -177.823434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.823434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.937702 (E_RNA)
where:
Base-Base interactions energy: -108.603
where: short stacking energy: -53.150
Base-Backbone interact. energy: 0.374
local terms energy: -69.708962
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -14.794
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -162.037092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.037092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.355732 (E_RNA)
where:
Base-Base interactions energy: -97.652
where: short stacking energy: -50.368
Base-Backbone interact. energy: -0.075
local terms energy: -64.629390
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -17.686
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -11.353
Dist. restrs. and SS energy: 0.319 (S_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: -162.358930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.358930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.936262 (E_RNA)
where:
Base-Base interactions energy: -90.859
where: short stacking energy: -50.242
Base-Backbone interact. energy: -0.367
local terms energy: -71.710191
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -17.317
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -13.824
Dist. restrs. and SS energy: 0.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -170.116704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.116704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.116704 (E_RNA)
where:
Base-Base interactions energy: -101.819
where: short stacking energy: -49.955
Base-Backbone interact. energy: -0.091
local terms energy: -68.206024
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -7.423
tors. eta vs tors. theta energy: -12.035
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -131.502533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.502533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.610156 (E_RNA)
where:
Base-Base interactions energy: -64.780
where: short stacking energy: -40.443
Base-Backbone interact. energy: -0.033
local terms energy: -66.797145
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -8.801
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -145.337623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.337623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.150447 (E_RNA)
where:
Base-Base interactions energy: -86.654
where: short stacking energy: -50.834
Base-Backbone interact. energy: -0.023
local terms energy: -59.473648
where:
bonds (distance) C4'-P energy: -9.476
bonds (distance) P-C4' energy: -12.369
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -11.558
Dist. restrs. and SS energy: 0.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -127.644797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.644797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.645523 (E_RNA)
where:
Base-Base interactions energy: -67.119
where: short stacking energy: -40.491
Base-Backbone interact. energy: -1.106
local terms energy: -59.420456
where:
bonds (distance) C4'-P energy: -11.447
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -6.851
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -116.560869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.560869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.678917 (E_RNA)
where:
Base-Base interactions energy: -65.177
where: short stacking energy: -37.143
Base-Backbone interact. energy: -0.125
local terms energy: -51.376884
where:
bonds (distance) C4'-P energy: -10.424
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -4.815
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -199.759940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.759940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.057178 (E_RNA)
where:
Base-Base interactions energy: -125.339
where: short stacking energy: -69.728
Base-Backbone interact. energy: -0.001
local terms energy: -74.717263
where:
bonds (distance) C4'-P energy: -14.294
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -13.016
tors. eta vs tors. theta energy: -17.244
Dist. restrs. and SS energy: 0.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -184.224674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.224674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.495602 (E_RNA)
where:
Base-Base interactions energy: -120.743
where: short stacking energy: -60.704
Base-Backbone interact. energy: 0.509
local terms energy: -64.262256
where:
bonds (distance) C4'-P energy: -9.208
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -18.273
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -10.226
Dist. restrs. and SS energy: 0.271 (S_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: 31
Temperature: 1.000000
Total energy: -171.255649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.255649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.683858 (E_RNA)
where:
Base-Base interactions energy: -97.043
where: short stacking energy: -52.037
Base-Backbone interact. energy: -0.046
local terms energy: -74.594902
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -5.166
tors. eta vs tors. theta energy: -16.999
Dist. restrs. and SS energy: 0.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -174.757678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.757678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.944128 (E_RNA)
where:
Base-Base interactions energy: -97.395
where: short stacking energy: -47.990
Base-Backbone interact. energy: -0.378
local terms energy: -77.170803
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -14.743
tors. eta vs tors. theta energy: -13.304
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -164.009066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.009066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.016665 (E_RNA)
where:
Base-Base interactions energy: -91.265
where: short stacking energy: -51.679
Base-Backbone interact. energy: -0.005
local terms energy: -72.746067
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -15.275
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -146.027466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.027466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.073861 (E_RNA)
where:
Base-Base interactions energy: -80.432
where: short stacking energy: -50.347
Base-Backbone interact. energy: -0.029
local terms energy: -65.612436
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -10.934
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -151.229944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.229944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.234525 (E_RNA)
where:
Base-Base interactions energy: -90.035
where: short stacking energy: -46.709
Base-Backbone interact. energy: -0.158
local terms energy: -61.041697
where:
bonds (distance) C4'-P energy: -10.955
bonds (distance) P-C4' energy: -17.118
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -6.419
Dist. restrs. and SS energy: 0.005 (S_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: 31
Temperature: 1.250000
Total energy: -129.345101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.345101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.688590 (E_RNA)
where:
Base-Base interactions energy: -68.012
where: short stacking energy: -37.003
Base-Backbone interact. energy: -0.200
local terms energy: -61.476770
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -6.088
Dist. restrs. and SS energy: 0.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -138.806432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.806432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.806432 (E_RNA)
where:
Base-Base interactions energy: -81.876
where: short stacking energy: -42.250
Base-Backbone interact. energy: -1.010
local terms energy: -55.920162
where:
bonds (distance) C4'-P energy: -4.497
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -18.612
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -9.958
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -115.631628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.631628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.631628 (E_RNA)
where:
Base-Base interactions energy: -59.509
where: short stacking energy: -30.682
Base-Backbone interact. energy: -0.681
local terms energy: -55.441389
where:
bonds (distance) C4'-P energy: -14.561
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -0.110
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: 4
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -193.184792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.184792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.407943 (E_RNA)
where:
Base-Base interactions energy: -117.369
where: short stacking energy: -57.187
Base-Backbone interact. energy: 0.566
local terms energy: -76.604134
where:
bonds (distance) C4'-P energy: -18.772
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: -13.609
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -189.866239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.866239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.866239 (E_RNA)
where:
Base-Base interactions energy: -107.760
where: short stacking energy: -68.527
Base-Backbone interact. energy: -0.002
local terms energy: -82.104333
where:
bonds (distance) C4'-P energy: -18.245
bonds (distance) P-C4' energy: -18.536
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -19.825
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -176.624564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.624564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.696460 (E_RNA)
where:
Base-Base interactions energy: -103.841
where: short stacking energy: -60.090
Base-Backbone interact. energy: -0.246
local terms energy: -72.609075
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -20.018
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -164.299971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.299971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.604596 (E_RNA)
where:
Base-Base interactions energy: -94.896
where: short stacking energy: -52.532
Base-Backbone interact. energy: -0.103
local terms energy: -69.606292
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -5.902
tors. eta vs tors. theta energy: -14.910
Dist. restrs. and SS energy: 0.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -144.600832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.600832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.614040 (E_RNA)
where:
Base-Base interactions energy: -88.757
where: short stacking energy: -46.926
Base-Backbone interact. energy: -0.217
local terms energy: -55.639972
where:
bonds (distance) C4'-P energy: -16.250
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -3.076
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -163.654428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.654428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.140496 (E_RNA)
where:
Base-Base interactions energy: -91.506
where: short stacking energy: -51.678
Base-Backbone interact. energy: -0.000
local terms energy: -72.633727
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -5.789
tors. eta vs tors. theta energy: -16.677
Dist. restrs. and SS energy: 0.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -166.837562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.837562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.889753 (E_RNA)
where:
Base-Base interactions energy: -91.195
where: short stacking energy: -56.482
Base-Backbone interact. energy: -0.090
local terms energy: -75.604215
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -17.356
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -13.649
Dist. restrs. and SS energy: 0.052 (S_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: 32
Temperature: 1.250000
Total energy: -136.188145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.188145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.236644 (E_RNA)
where:
Base-Base interactions energy: -76.864
where: short stacking energy: -41.608
Base-Backbone interact. energy: -0.200
local terms energy: -59.172670
where:
bonds (distance) C4'-P energy: -10.736
bonds (distance) P-C4' energy: -11.659
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -9.794
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -126.767901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.767901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.017875 (E_RNA)
where:
Base-Base interactions energy: -69.275
where: short stacking energy: -39.453
Base-Backbone interact. energy: -0.099
local terms energy: -57.643391
where:
bonds (distance) C4'-P energy: -11.108
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -8.108
Dist. restrs. and SS energy: 0.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -125.491015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.491015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.516226 (E_RNA)
where:
Base-Base interactions energy: -70.433
where: short stacking energy: -36.873
Base-Backbone interact. energy: -0.475
local terms energy: -54.608297
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -6.880
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -9.610
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -182.420658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.420658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.510710 (E_RNA)
where:
Base-Base interactions energy: -113.713
where: short stacking energy: -59.000
Base-Backbone interact. energy: 1.025
local terms energy: -69.823236
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -8.303
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -188.130978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.130978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.135217 (E_RNA)
where:
Base-Base interactions energy: -110.398
where: short stacking energy: -52.493
Base-Backbone interact. energy: -0.430
local terms energy: -77.307601
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -14.510
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -167.376154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.376154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.376154 (E_RNA)
where:
Base-Base interactions energy: -93.259
where: short stacking energy: -57.306
Base-Backbone interact. energy: -0.001
local terms energy: -74.116080
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -13.902
tors. eta vs tors. theta energy: -13.322
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: 5
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -171.186042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.186042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.238701 (E_RNA)
where:
Base-Base interactions energy: -102.748
where: short stacking energy: -63.206
Base-Backbone interact. energy: -1.033
local terms energy: -67.458248
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -13.293
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -163.116939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.116939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.116939 (E_RNA)
where:
Base-Base interactions energy: -97.047
where: short stacking energy: -44.609
Base-Backbone interact. energy: -0.100
local terms energy: -65.970561
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -10.989
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -150.020033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.020033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.100265 (E_RNA)
where:
Base-Base interactions energy: -87.162
where: short stacking energy: -44.182
Base-Backbone interact. energy: 0.186
local terms energy: -63.124285
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: -7.850
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -168.358637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.358637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.378851 (E_RNA)
where:
Base-Base interactions energy: -104.569
where: short stacking energy: -61.648
Base-Backbone interact. energy: 2.301
local terms energy: -66.110611
where:
bonds (distance) C4'-P energy: -10.701
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -15.400
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -133.214695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.214695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.214695 (E_RNA)
where:
Base-Base interactions energy: -80.740
where: short stacking energy: -44.710
Base-Backbone interact. energy: -0.891
local terms energy: -51.584433
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -9.929
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -2.561
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -130.072672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.072672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.247103 (E_RNA)
where:
Base-Base interactions energy: -73.685
where: short stacking energy: -45.748
Base-Backbone interact. energy: -0.207
local terms energy: -56.355118
where:
bonds (distance) C4'-P energy: -7.796
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: -7.399
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -129.713085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.713085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.827733 (E_RNA)
where:
Base-Base interactions energy: -66.336
where: short stacking energy: -40.270
Base-Backbone interact. energy: -0.104
local terms energy: -63.387088
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -18.514
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -5.716
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -203.451469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.451469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.523031 (E_RNA)
where:
Base-Base interactions energy: -127.525
where: short stacking energy: -68.669
Base-Backbone interact. energy: -1.651
local terms energy: -74.347600
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -10.718
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -20.769
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -176.209412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.209412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.287728 (E_RNA)
where:
Base-Base interactions energy: -106.363
where: short stacking energy: -55.592
Base-Backbone interact. energy: -0.260
local terms energy: -69.665540
where:
bonds (distance) C4'-P energy: -16.163
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -11.886
Dist. restrs. and SS energy: 0.078 (S_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: 34
Temperature: 1.000000
Total energy: -191.447433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.447433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.976619 (E_RNA)
where:
Base-Base interactions energy: -118.295
where: short stacking energy: -69.200
Base-Backbone interact. energy: 0.690
local terms energy: -74.371666
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -16.353
Dist. restrs. and SS energy: 0.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -152.793981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.793981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.816655 (E_RNA)
where:
Base-Base interactions energy: -94.956
where: short stacking energy: -51.521
Base-Backbone interact. energy: 1.932
local terms energy: -59.793209
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -5.805
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -158.401043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.401043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.401043 (E_RNA)
where:
Base-Base interactions energy: -88.272
where: short stacking energy: -54.391
Base-Backbone interact. energy: 0.262
local terms energy: -70.391320
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -11.176
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -148.012830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.012830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.145329 (E_RNA)
where:
Base-Base interactions energy: -88.699
where: short stacking energy: -40.013
Base-Backbone interact. energy: -0.076
local terms energy: -59.370461
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -9.664
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -10.646
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. 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: -156.025190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.025190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.025190 (E_RNA)
where:
Base-Base interactions energy: -97.137
where: short stacking energy: -56.561
Base-Backbone interact. energy: -0.120
local terms energy: -58.767795
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -9.763
flat angles C4'-P-C4' energy: -9.179
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -12.555
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -126.691064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.691064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.694835 (E_RNA)
where:
Base-Base interactions energy: -69.381
where: short stacking energy: -37.616
Base-Backbone interact. energy: -0.390
local terms energy: -56.924111
where:
bonds (distance) C4'-P energy: -10.744
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -4.602
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -116.953609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.953609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.996382 (E_RNA)
where:
Base-Base interactions energy: -60.051
where: short stacking energy: -28.379
Base-Backbone interact. energy: -0.087
local terms energy: -56.858642
where:
bonds (distance) C4'-P energy: -12.805
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -11.227
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -2.119
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -127.249711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.249711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.386746 (E_RNA)
where:
Base-Base interactions energy: -75.148
where: short stacking energy: -35.873
Base-Backbone interact. energy: 5.529
local terms energy: -57.768035
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -7.097
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -201.913505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.913505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.004239 (E_RNA)
where:
Base-Base interactions energy: -126.746
where: short stacking energy: -72.754
Base-Backbone interact. energy: -0.259
local terms energy: -74.999395
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -17.755
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -180.276478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.276478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.577426 (E_RNA)
where:
Base-Base interactions energy: -103.569
where: short stacking energy: -54.441
Base-Backbone interact. energy: -0.115
local terms energy: -76.893623
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -18.076
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -14.153
Dist. restrs. and SS energy: 0.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -179.991697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.991697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.055604 (E_RNA)
where:
Base-Base interactions energy: -102.798
where: short stacking energy: -53.145
Base-Backbone interact. energy: -0.127
local terms energy: -77.130538
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -15.042
tors. eta vs tors. theta energy: -13.441
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -158.051459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.051459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.108264 (E_RNA)
where:
Base-Base interactions energy: -94.986
where: short stacking energy: -50.543
Base-Backbone interact. energy: -0.372
local terms energy: -62.750027
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -11.483
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -141.061349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.061349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.061349 (E_RNA)
where:
Base-Base interactions energy: -81.746
where: short stacking energy: -45.470
Base-Backbone interact. energy: -0.364
local terms energy: -58.951197
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -7.661
tors. eta vs tors. theta energy: -9.622
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -152.104141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.104141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.106512 (E_RNA)
where:
Base-Base interactions energy: -85.042
where: short stacking energy: -53.129
Base-Backbone interact. energy: -0.173
local terms energy: -66.890537
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -9.044
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -148.722543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.722543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.722543 (E_RNA)
where:
Base-Base interactions energy: -85.878
where: short stacking energy: -46.607
Base-Backbone interact. energy: -0.451
local terms energy: -62.393106
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -7.765
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: 1
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -136.521435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.521435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.521435 (E_RNA)
where:
Base-Base interactions energy: -73.519
where: short stacking energy: -40.395
Base-Backbone interact. energy: -0.081
local terms energy: -62.921347
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -4.643
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: 7
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -129.243171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.243171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.360139 (E_RNA)
where:
Base-Base interactions energy: -70.846
where: short stacking energy: -40.156
Base-Backbone interact. energy: -0.228
local terms energy: -58.286129
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -13.503
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -8.019
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -122.641295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.641295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.641295 (E_RNA)
where:
Base-Base interactions energy: -66.138
where: short stacking energy: -34.502
Base-Backbone interact. energy: -0.117
local terms energy: -56.386723
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -9.591
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: 2
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -204.904520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.904520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.045146 (E_RNA)
where:
Base-Base interactions energy: -119.735
where: short stacking energy: -68.802
Base-Backbone interact. energy: -0.911
local terms energy: -84.399675
where:
bonds (distance) C4'-P energy: -17.654
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -19.534
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -188.529649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.529649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.582974 (E_RNA)
where:
Base-Base interactions energy: -116.583
where: short stacking energy: -60.349
Base-Backbone interact. energy: -0.583
local terms energy: -71.416922
where:
bonds (distance) C4'-P energy: -16.203
bonds (distance) P-C4' energy: -16.229
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -14.958
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -178.740396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.740396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.149998 (E_RNA)
where:
Base-Base interactions energy: -109.339
where: short stacking energy: -66.077
Base-Backbone interact. energy: -0.657
local terms energy: -69.153858
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -16.164
Dist. restrs. and SS energy: 0.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -159.974697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.974697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.974697 (E_RNA)
where:
Base-Base interactions energy: -90.983
where: short stacking energy: -58.380
Base-Backbone interact. energy: -0.005
local terms energy: -68.987441
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -8.522
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: 5, replica: 8
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -150.818055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.818055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.818055 (E_RNA)
where:
Base-Base interactions energy: -90.317
where: short stacking energy: -43.385
Base-Backbone interact. energy: -0.239
local terms energy: -60.261698
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -10.160
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -139.799966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.799966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.799966 (E_RNA)
where:
Base-Base interactions energy: -80.149
where: short stacking energy: -45.799
Base-Backbone interact. energy: -0.174
local terms energy: -59.476846
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -4.729
tors. eta vs tors. theta energy: -7.237
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -141.973053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.973053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.142210 (E_RNA)
where:
Base-Base interactions energy: -79.161
where: short stacking energy: -41.747
Base-Backbone interact. energy: -0.457
local terms energy: -62.524821
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -9.897
Dist. restrs. and SS energy: 0.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -142.778798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.778798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.962314 (E_RNA)
where:
Base-Base interactions energy: -80.454
where: short stacking energy: -46.035
Base-Backbone interact. energy: -0.430
local terms energy: -62.078375
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -8.572
Dist. restrs. and SS energy: 0.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -120.346578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.346578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.429052 (E_RNA)
where:
Base-Base interactions energy: -72.372
where: short stacking energy: -30.402
Base-Backbone interact. energy: 0.121
local terms energy: -48.177398
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -7.869
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -2.810
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -140.344254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.344254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.365095 (E_RNA)
where:
Base-Base interactions energy: -86.238
where: short stacking energy: -46.372
Base-Backbone interact. energy: -0.022
local terms energy: -54.104810
where:
bonds (distance) C4'-P energy: -7.850
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -13.249
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -192.142889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.142889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.566568 (E_RNA)
where:
Base-Base interactions energy: -113.909
where: short stacking energy: -56.972
Base-Backbone interact. energy: -0.555
local terms energy: -78.102728
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -14.821
tors. eta vs tors. theta energy: -14.784
Dist. restrs. and SS energy: 0.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -181.183545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.183545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.183545 (E_RNA)
where:
Base-Base interactions energy: -104.838
where: short stacking energy: -68.299
Base-Backbone interact. energy: -0.007
local terms energy: -76.338512
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -16.000
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -17.234
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -162.836166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.836166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.836166 (E_RNA)
where:
Base-Base interactions energy: -94.470
where: short stacking energy: -44.696
Base-Backbone interact. energy: -0.006
local terms energy: -68.360097
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -12.456
tors. eta vs tors. theta energy: -8.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -160.885936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.885936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.149136 (E_RNA)
where:
Base-Base interactions energy: -98.900
where: short stacking energy: -45.281
Base-Backbone interact. energy: -0.274
local terms energy: -61.975575
where:
bonds (distance) C4'-P energy: -11.315
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -9.663
Dist. restrs. and SS energy: 0.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -165.444064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.444064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.444064 (E_RNA)
where:
Base-Base interactions energy: -96.809
where: short stacking energy: -50.423
Base-Backbone interact. energy: -0.000
local terms energy: -68.635005
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -15.788
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: 9
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -138.287176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.287176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.366768 (E_RNA)
where:
Base-Base interactions energy: -82.969
where: short stacking energy: -51.923
Base-Backbone interact. energy: -0.415
local terms energy: -54.982283
where:
bonds (distance) C4'-P energy: -10.411
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -5.031
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -160.786586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.786586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.996092 (E_RNA)
where:
Base-Base interactions energy: -94.453
where: short stacking energy: -51.988
Base-Backbone interact. energy: -0.217
local terms energy: -66.326543
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -14.556
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -130.914237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.914237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.914237 (E_RNA)
where:
Base-Base interactions energy: -79.100
where: short stacking energy: -37.997
Base-Backbone interact. energy: 1.678
local terms energy: -53.491834
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -6.585
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -6.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -134.143745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.143745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.564887 (E_RNA)
where:
Base-Base interactions energy: -90.237
where: short stacking energy: -41.918
Base-Backbone interact. energy: 0.763
local terms energy: -45.091105
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -10.025
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -2.436
Dist. restrs. and SS energy: 0.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -124.528240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.528240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.724450 (E_RNA)
where:
Base-Base interactions energy: -79.478
where: short stacking energy: -45.990
Base-Backbone interact. energy: -0.133
local terms energy: -50.113554
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -7.786
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -8.371
Dist. restrs. and SS energy: 5.196 (S_DIST_RNA)
chem. 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: -194.267151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.267151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.312973 (E_RNA)
where:
Base-Base interactions energy: -123.820
where: short stacking energy: -69.817
Base-Backbone interact. energy: -0.139
local terms energy: -70.353882
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -16.560
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -186.034483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.034483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.620402 (E_RNA)
where:
Base-Base interactions energy: -116.881
where: short stacking energy: -59.444
Base-Backbone interact. energy: -0.983
local terms energy: -68.755912
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -15.627
Dist. restrs. and SS energy: 0.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -169.960640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.960640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.306130 (E_RNA)
where:
Base-Base interactions energy: -98.213
where: short stacking energy: -50.372
Base-Backbone interact. energy: -0.039
local terms energy: -72.054236
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -10.791
Dist. restrs. and SS energy: 0.345 (S_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: 38
Temperature: 1.050000
Total energy: -176.546074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.546074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.695009 (E_RNA)
where:
Base-Base interactions energy: -107.692
where: short stacking energy: -62.319
Base-Backbone interact. energy: 0.633
local terms energy: -69.635458
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -17.015
flat angles C4'-P-C4' energy: -8.231
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: -16.189
Dist. restrs. and SS energy: 0.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -153.905932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.905932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.912339 (E_RNA)
where:
Base-Base interactions energy: -87.124
where: short stacking energy: -48.252
Base-Backbone interact. energy: -0.575
local terms energy: -66.213909
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -13.678
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -146.224298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.224298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.224298 (E_RNA)
where:
Base-Base interactions energy: -87.198
where: short stacking energy: -43.998
Base-Backbone interact. energy: 0.080
local terms energy: -59.106084
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -9.258
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -10.258
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -148.948012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.948012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.060872 (E_RNA)
where:
Base-Base interactions energy: -81.882
where: short stacking energy: -40.193
Base-Backbone interact. energy: -0.024
local terms energy: -67.154247
where:
bonds (distance) C4'-P energy: -17.507
bonds (distance) P-C4' energy: -19.039
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: -11.198
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -147.942220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.942220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.342432 (E_RNA)
where:
Base-Base interactions energy: -94.296
where: short stacking energy: -46.992
Base-Backbone interact. energy: -0.405
local terms energy: -53.640770
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -6.920
tors. eta vs tors. theta energy: -6.672
Dist. restrs. and SS energy: 0.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -117.937751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.937751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.937751 (E_RNA)
where:
Base-Base interactions energy: -61.095
where: short stacking energy: -36.189
Base-Backbone interact. energy: -0.044
local terms energy: -56.798544
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -7.320
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -137.403648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.403648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.412392 (E_RNA)
where:
Base-Base interactions energy: -83.129
where: short stacking energy: -35.232
Base-Backbone interact. energy: -0.534
local terms energy: -53.749952
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -6.182
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -9.351
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. 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: -201.970630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.970630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.970630 (E_RNA)
where:
Base-Base interactions energy: -119.651
where: short stacking energy: -69.935
Base-Backbone interact. energy: -0.084
local terms energy: -82.235692
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -13.387
tors. eta vs tors. theta energy: -21.048
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: 6
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -191.888353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.888353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.201095 (E_RNA)
where:
Base-Base interactions energy: -124.398
where: short stacking energy: -70.740
Base-Backbone interact. energy: -0.003
local terms energy: -67.800464
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -8.643
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -20.768
Dist. restrs. and SS energy: 0.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -166.626511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.626511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.640984 (E_RNA)
where:
Base-Base interactions energy: -95.486
where: short stacking energy: -55.670
Base-Backbone interact. energy: -0.326
local terms energy: -70.828122
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -13.114
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -153.019140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.019140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.038149 (E_RNA)
where:
Base-Base interactions energy: -83.008
where: short stacking energy: -47.812
Base-Backbone interact. energy: -0.170
local terms energy: -69.860546
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -18.106
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -10.054
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -168.739514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.739514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.850608 (E_RNA)
where:
Base-Base interactions energy: -100.740
where: short stacking energy: -49.988
Base-Backbone interact. energy: -0.106
local terms energy: -68.004113
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -13.862
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -168.743549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.743549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.777575 (E_RNA)
where:
Base-Base interactions energy: -109.158
where: short stacking energy: -60.686
Base-Backbone interact. energy: -0.910
local terms energy: -58.709710
where:
bonds (distance) C4'-P energy: -10.815
bonds (distance) P-C4' energy: -12.714
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -13.524
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -148.676616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.676616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.568718 (E_RNA)
where:
Base-Base interactions energy: -88.276
where: short stacking energy: -35.175
Base-Backbone interact. energy: -0.437
local terms energy: -61.855474
where:
bonds (distance) C4'-P energy: -17.326
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -8.329
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -8.573
Dist. restrs. and SS energy: 1.892 (S_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: 39
Temperature: 1.250000
Total energy: -136.030573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.030573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.166870 (E_RNA)
where:
Base-Base interactions energy: -74.272
where: short stacking energy: -41.036
Base-Backbone interact. energy: -0.190
local terms energy: -61.704665
where:
bonds (distance) C4'-P energy: -11.439
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -11.513
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -118.833938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.833938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.854621 (E_RNA)
where:
Base-Base interactions energy: -65.822
where: short stacking energy: -30.178
Base-Backbone interact. energy: -0.781
local terms energy: -52.251340
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -8.141
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -2.750
Dist. restrs. and SS energy: 0.021 (S_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: 39
Temperature: 1.350000
Total energy: -118.847739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.847739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.974625 (E_RNA)
where:
Base-Base interactions energy: -68.122
where: short stacking energy: -31.563
Base-Backbone interact. energy: -0.228
local terms energy: -50.624990
where:
bonds (distance) C4'-P energy: -13.819
bonds (distance) P-C4' energy: -12.981
flat angles C4'-P-C4' energy: -8.768
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -2.907
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -193.607556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.607556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.847628 (E_RNA)
where:
Base-Base interactions energy: -120.299
where: short stacking energy: -67.090
Base-Backbone interact. energy: -0.011
local terms energy: -73.537327
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -19.347
Dist. restrs. and SS energy: 0.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -180.587773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.587773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.158952 (E_RNA)
where:
Base-Base interactions energy: -103.238
where: short stacking energy: -59.617
Base-Backbone interact. energy: -0.059
local terms energy: -77.862545
where:
bonds (distance) C4'-P energy: -15.032
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -15.785
Dist. restrs. and SS energy: 0.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -176.734508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.734508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.765535 (E_RNA)
where:
Base-Base interactions energy: -108.316
where: short stacking energy: -60.888
Base-Backbone interact. energy: 0.033
local terms energy: -68.482969
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -15.102
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -171.809766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.809766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.809766 (E_RNA)
where:
Base-Base interactions energy: -109.493
where: short stacking energy: -64.763
Base-Backbone interact. energy: -0.443
local terms energy: -61.873505
where:
bonds (distance) C4'-P energy: -9.510
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -9.447
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -14.919
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -178.714086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.714086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.070316 (E_RNA)
where:
Base-Base interactions energy: -120.252
where: short stacking energy: -55.095
Base-Backbone interact. energy: -0.104
local terms energy: -58.714333
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -5.817
tors. eta vs tors. theta energy: -14.092
Dist. restrs. and SS energy: 0.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -166.546100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.546100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.639881 (E_RNA)
where:
Base-Base interactions energy: -100.486
where: short stacking energy: -55.092
Base-Backbone interact. energy: 0.531
local terms energy: -66.684745
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -8.898
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -16.036
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -163.310012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.310012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.774618 (E_RNA)
where:
Base-Base interactions energy: -101.487
where: short stacking energy: -41.951
Base-Backbone interact. energy: -0.611
local terms energy: -61.677298
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -4.331
Dist. restrs. and SS energy: 0.465 (S_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: 40
Temperature: 1.250000
Total energy: -118.431952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.431952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.498000 (E_RNA)
where:
Base-Base interactions energy: -59.968
where: short stacking energy: -31.963
Base-Backbone interact. energy: -0.293
local terms energy: -58.236379
where:
bonds (distance) C4'-P energy: -17.749
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -1.809
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -130.751805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.751805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.751805 (E_RNA)
where:
Base-Base interactions energy: -73.043
where: short stacking energy: -33.166
Base-Backbone interact. energy: -0.088
local terms energy: -57.621653
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -5.154
tors. eta vs tors. theta energy: -10.515
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -123.883442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.883442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.942712 (E_RNA)
where:
Base-Base interactions energy: -69.711
where: short stacking energy: -40.732
Base-Backbone interact. energy: -0.178
local terms energy: -54.053905
where:
bonds (distance) C4'-P energy: -9.311
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -6.600
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -201.965172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.965172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.222124 (E_RNA)
where:
Base-Base interactions energy: -120.398
where: short stacking energy: -70.121
Base-Backbone interact. energy: -0.017
local terms energy: -81.807431
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -15.014
tors. eta vs tors. theta energy: -21.500
Dist. restrs. and SS energy: 0.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -215.258179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.258179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.528526 (E_RNA)
where:
Base-Base interactions energy: -132.816
where: short stacking energy: -72.250
Base-Backbone interact. energy: -0.004
local terms energy: -82.708624
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -23.744
Dist. restrs. and SS energy: 0.270 (S_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: 41
Temperature: 1.000000
Total energy: -168.735983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.735983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.742030 (E_RNA)
where:
Base-Base interactions energy: -99.926
where: short stacking energy: -67.860
Base-Backbone interact. energy: -0.027
local terms energy: -68.788932
where:
bonds (distance) C4'-P energy: -16.660
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -16.076
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -176.567139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.567139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.851948 (E_RNA)
where:
Base-Base interactions energy: -107.848
where: short stacking energy: -51.817
Base-Backbone interact. energy: -0.208
local terms energy: -68.796475
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -14.421
Dist. restrs. and SS energy: 0.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -158.530730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.530730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.533959 (E_RNA)
where:
Base-Base interactions energy: -94.246
where: short stacking energy: -61.347
Base-Backbone interact. energy: -0.022
local terms energy: -64.265679
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -11.537
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -162.658787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.658787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.839503 (E_RNA)
where:
Base-Base interactions energy: -92.651
where: short stacking energy: -43.299
Base-Backbone interact. energy: -0.121
local terms energy: -70.068040
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -12.665
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -15.586
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -158.639921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.639921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.733444 (E_RNA)
where:
Base-Base interactions energy: -97.532
where: short stacking energy: -46.111
Base-Backbone interact. energy: -0.006
local terms energy: -66.195131
where:
bonds (distance) C4'-P energy: -17.729
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -10.582
Dist. restrs. and SS energy: 5.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -124.629552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.629552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.629552 (E_RNA)
where:
Base-Base interactions energy: -62.495
where: short stacking energy: -36.496
Base-Backbone interact. energy: -0.080
local terms energy: -62.054058
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -8.339
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -126.860064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.860064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.064807 (E_RNA)
where:
Base-Base interactions energy: -71.836
where: short stacking energy: -39.345
Base-Backbone interact. energy: 0.804
local terms energy: -56.032668
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -9.092
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -9.209
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -126.771626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.771626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.775678 (E_RNA)
where:
Base-Base interactions energy: -76.369
where: short stacking energy: -37.240
Base-Backbone interact. energy: -0.145
local terms energy: -50.261031
where:
bonds (distance) C4'-P energy: -8.703
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -9.273
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -8.516
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -201.690148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.690148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.739809 (E_RNA)
where:
Base-Base interactions energy: -124.387
where: short stacking energy: -71.160
Base-Backbone interact. energy: -0.083
local terms energy: -77.269701
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -14.901
flat angles C4'-P-C4' energy: -19.413
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -16.710
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -203.719869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.719869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.060524 (E_RNA)
where:
Base-Base interactions energy: -122.744
where: short stacking energy: -67.426
Base-Backbone interact. energy: -0.050
local terms energy: -81.267211
where:
bonds (distance) C4'-P energy: -17.239
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -18.989
Dist. restrs. and SS energy: 0.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -181.821571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.821571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.414948 (E_RNA)
where:
Base-Base interactions energy: -100.924
where: short stacking energy: -54.557
Base-Backbone interact. energy: -0.031
local terms energy: -81.460558
where:
bonds (distance) C4'-P energy: -17.927
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -18.386
Dist. restrs. and SS energy: 0.593 (S_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: 42
Temperature: 1.050000
Total energy: -160.146130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.146130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.146130 (E_RNA)
where:
Base-Base interactions energy: -93.671
where: short stacking energy: -50.744
Base-Backbone interact. energy: -0.319
local terms energy: -66.156638
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -10.682
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -13.725
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -160.295025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.295025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.431243 (E_RNA)
where:
Base-Base interactions energy: -100.818
where: short stacking energy: -51.783
Base-Backbone interact. energy: -0.020
local terms energy: -59.592737
where:
bonds (distance) C4'-P energy: -9.934
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -18.127
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -10.045
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -158.716099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.716099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.716099 (E_RNA)
where:
Base-Base interactions energy: -92.435
where: short stacking energy: -56.308
Base-Backbone interact. energy: -0.776
local terms energy: -65.504827
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -11.521
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -13.517
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: 42
Temperature: 1.200000
Total energy: -149.853286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.853286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.857988 (E_RNA)
where:
Base-Base interactions energy: -89.694
where: short stacking energy: -44.056
Base-Backbone interact. energy: -0.006
local terms energy: -60.157880
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -13.619
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -6.584
tors. eta vs tors. theta energy: -13.065
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -155.007800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.007800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.007800 (E_RNA)
where:
Base-Base interactions energy: -93.575
where: short stacking energy: -58.072
Base-Backbone interact. energy: 0.217
local terms energy: -61.649780
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -6.406
tors. eta vs tors. theta energy: -14.488
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -121.444429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.444429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.444429 (E_RNA)
where:
Base-Base interactions energy: -66.582
where: short stacking energy: -31.036
Base-Backbone interact. energy: -0.141
local terms energy: -54.720854
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -3.227
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -110.522620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.522620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.522620 (E_RNA)
where:
Base-Base interactions energy: -64.353
where: short stacking energy: -27.829
Base-Backbone interact. energy: 0.466
local terms energy: -46.635342
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: 1.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -198.055083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.055083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.171024 (E_RNA)
where:
Base-Base interactions energy: -119.182
where: short stacking energy: -66.912
Base-Backbone interact. energy: -0.037
local terms energy: -78.951519
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -18.164
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -200.777842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.777842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.777842 (E_RNA)
where:
Base-Base interactions energy: -121.738
where: short stacking energy: -66.783
Base-Backbone interact. energy: -0.326
local terms energy: -78.714126
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -15.839
tors. eta vs tors. theta energy: -17.387
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: 2
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -192.080774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.080774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.134684 (E_RNA)
where:
Base-Base interactions energy: -119.402
where: short stacking energy: -65.383
Base-Backbone interact. energy: -0.436
local terms energy: -72.297225
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -17.847
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -161.110199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.110199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.110199 (E_RNA)
where:
Base-Base interactions energy: -88.653
where: short stacking energy: -50.872
Base-Backbone interact. energy: 0.100
local terms energy: -72.557756
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -15.302
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -161.329596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.329596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.761399 (E_RNA)
where:
Base-Base interactions energy: -97.610
where: short stacking energy: -46.428
Base-Backbone interact. energy: -0.138
local terms energy: -64.012943
where:
bonds (distance) C4'-P energy: -12.527
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -11.872
Dist. restrs. and SS energy: 0.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -147.948610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.948610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.948610 (E_RNA)
where:
Base-Base interactions energy: -87.701
where: short stacking energy: -44.914
Base-Backbone interact. energy: 0.974
local terms energy: -61.222149
where:
bonds (distance) C4'-P energy: -10.929
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -10.397
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -153.407018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.407018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.407018 (E_RNA)
where:
Base-Base interactions energy: -93.840
where: short stacking energy: -37.509
Base-Backbone interact. energy: -0.237
local terms energy: -59.329266
where:
bonds (distance) C4'-P energy: -14.357
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -5.031
tors. eta vs tors. theta energy: -8.274
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -140.840473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.840473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.945423 (E_RNA)
where:
Base-Base interactions energy: -78.663
where: short stacking energy: -46.475
Base-Backbone interact. energy: -0.131
local terms energy: -62.151945
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -8.628
Dist. restrs. and SS energy: 0.105 (S_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: 43
Temperature: 1.300000
Total energy: -128.998742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.998742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.998742 (E_RNA)
where:
Base-Base interactions energy: -82.820
where: short stacking energy: -35.110
Base-Backbone interact. energy: -0.151
local terms energy: -46.027304
where:
bonds (distance) C4'-P energy: -8.890
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -4.785
tors. eta vs tors. theta energy: -4.191
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -124.927050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.927050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.927050 (E_RNA)
where:
Base-Base interactions energy: -64.525
where: short stacking energy: -37.038
Base-Backbone interact. energy: -0.189
local terms energy: -60.213397
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -17.207
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -7.431
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: 1, replica: 4
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -205.586938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.586938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.769088 (E_RNA)
where:
Base-Base interactions energy: -132.100
where: short stacking energy: -71.116
Base-Backbone interact. energy: -0.011
local terms energy: -73.657463
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -17.553
Dist. restrs. and SS energy: 0.182 (S_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: -189.911791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.911791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.921450 (E_RNA)
where:
Base-Base interactions energy: -112.495
where: short stacking energy: -66.069
Base-Backbone interact. energy: -0.014
local terms energy: -77.411961
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: -19.401
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -187.902810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.902810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.094622 (E_RNA)
where:
Base-Base interactions energy: -110.718
where: short stacking energy: -61.519
Base-Backbone interact. energy: -0.038
local terms energy: -77.338612
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -16.732
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -153.748213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.748213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.748213 (E_RNA)
where:
Base-Base interactions energy: -89.472
where: short stacking energy: -56.929
Base-Backbone interact. energy: -0.349
local terms energy: -63.926622
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -9.702
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -15.291
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -175.011454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.011454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.463235 (E_RNA)
where:
Base-Base interactions energy: -107.032
where: short stacking energy: -56.647
Base-Backbone interact. energy: 0.951
local terms energy: -69.382806
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -16.645
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -16.834
Dist. restrs. and SS energy: 0.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -181.694753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.694753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.694753 (E_RNA)
where:
Base-Base interactions energy: -102.980
where: short stacking energy: -59.304
Base-Backbone interact. energy: -0.064
local terms energy: -78.651317
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -17.937
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -143.897612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.897612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.154811 (E_RNA)
where:
Base-Base interactions energy: -85.369
where: short stacking energy: -42.804
Base-Backbone interact. energy: -0.014
local terms energy: -58.771807
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -10.939
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -9.848
Dist. restrs. and SS energy: 0.257 (S_DIST_RNA)
chem. 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: -137.801606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.801606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.884296 (E_RNA)
where:
Base-Base interactions energy: -73.201
where: short stacking energy: -37.915
Base-Backbone interact. energy: -0.085
local terms energy: -64.597856
where:
bonds (distance) C4'-P energy: -17.525
bonds (distance) P-C4' energy: -14.031
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -11.700
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -130.685594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.685594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.698610 (E_RNA)
where:
Base-Base interactions energy: -77.638
where: short stacking energy: -40.202
Base-Backbone interact. energy: -0.146
local terms energy: -52.915288
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -9.177
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -6.920
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -134.772408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.772408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.887924 (E_RNA)
where:
Base-Base interactions energy: -77.697
where: short stacking energy: -40.862
Base-Backbone interact. energy: -0.109
local terms energy: -57.082232
where:
bonds (distance) C4'-P energy: -8.585
bonds (distance) P-C4' energy: -17.600
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -6.401
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -197.676923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.676923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.698202 (E_RNA)
where:
Base-Base interactions energy: -118.627
where: short stacking energy: -72.293
Base-Backbone interact. energy: -0.046
local terms energy: -79.025846
where:
bonds (distance) C4'-P energy: -17.988
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -21.427
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -206.050573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.050573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.272235 (E_RNA)
where:
Base-Base interactions energy: -129.792
where: short stacking energy: -75.029
Base-Backbone interact. energy: -0.020
local terms energy: -76.460200
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -17.624
Dist. restrs. and SS energy: 0.222 (S_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: -194.896786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.896786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.001167 (E_RNA)
where:
Base-Base interactions energy: -120.292
where: short stacking energy: -63.724
Base-Backbone interact. energy: -0.037
local terms energy: -74.672295
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -16.504
Dist. restrs. and SS energy: 0.104 (S_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: 45
Temperature: 1.050000
Total energy: -177.126048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.126048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.365190 (E_RNA)
where:
Base-Base interactions energy: -102.735
where: short stacking energy: -56.925
Base-Backbone interact. energy: -0.175
local terms energy: -74.455087
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -18.464
flat angles P-C4'-P energy: -7.063
tors. eta vs tors. theta energy: -15.881
Dist. restrs. and SS energy: 0.239 (S_DIST_RNA)
chem. 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: -169.772789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.772789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.785150 (E_RNA)
where:
Base-Base interactions energy: -94.954
where: short stacking energy: -65.632
Base-Backbone interact. energy: -0.022
local terms energy: -74.809446
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -19.224
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -152.301435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.301435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.330488 (E_RNA)
where:
Base-Base interactions energy: -92.637
where: short stacking energy: -54.466
Base-Backbone interact. energy: -0.698
local terms energy: -58.995621
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -10.174
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -10.054
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -145.305619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.305619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.305619 (E_RNA)
where:
Base-Base interactions energy: -87.819
where: short stacking energy: -43.569
Base-Backbone interact. energy: -0.222
local terms energy: -57.264793
where:
bonds (distance) C4'-P energy: -10.201
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -11.493
flat angles P-C4'-P energy: -11.776
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: 8, replica: 8
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -121.957544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.957544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.957544 (E_RNA)
where:
Base-Base interactions energy: -74.268
where: short stacking energy: -43.330
Base-Backbone interact. energy: -0.131
local terms energy: -47.557960
where:
bonds (distance) C4'-P energy: -9.465
bonds (distance) P-C4' energy: -9.124
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -6.703
tors. eta vs tors. theta energy: -9.538
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: 10
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -136.357967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.357967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.357967 (E_RNA)
where:
Base-Base interactions energy: -77.584
where: short stacking energy: -39.501
Base-Backbone interact. energy: -0.051
local terms energy: -58.723015
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -5.752
tors. eta vs tors. theta energy: -7.554
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -125.937521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.937521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.958139 (E_RNA)
where:
Base-Base interactions energy: -71.004
where: short stacking energy: -39.536
Base-Backbone interact. energy: 1.623
local terms energy: -56.576613
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -17.885
flat angles C4'-P-C4' energy: -8.546
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -6.093
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -204.355745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.355745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.355745 (E_RNA)
where:
Base-Base interactions energy: -122.590
where: short stacking energy: -73.629
Base-Backbone interact. energy: -0.011
local terms energy: -81.754982
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -22.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -190.871439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.871439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.887256 (E_RNA)
where:
Base-Base interactions energy: -113.540
where: short stacking energy: -69.165
Base-Backbone interact. energy: -0.033
local terms energy: -77.314162
where:
bonds (distance) C4'-P energy: -17.745
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -19.578
Dist. restrs. and SS energy: 0.016 (S_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: 46
Temperature: 1.000000
Total energy: -181.500580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.500580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.622179 (E_RNA)
where:
Base-Base interactions energy: -105.660
where: short stacking energy: -54.731
Base-Backbone interact. energy: -0.217
local terms energy: -75.745505
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -16.186
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. 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: -198.691319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.691319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.972645 (E_RNA)
where:
Base-Base interactions energy: -117.073
where: short stacking energy: -71.408
Base-Backbone interact. energy: -0.041
local terms energy: -81.858634
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -22.120
Dist. restrs. and SS energy: 0.281 (S_DIST_RNA)
chem. 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: -154.517969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.517969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.159017 (E_RNA)
where:
Base-Base interactions energy: -93.440
where: short stacking energy: -51.924
Base-Backbone interact. energy: -0.082
local terms energy: -61.637853
where:
bonds (distance) C4'-P energy: -9.266
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -11.611
Dist. restrs. and SS energy: 0.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -149.001792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.001792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.001792 (E_RNA)
where:
Base-Base interactions energy: -88.625
where: short stacking energy: -51.381
Base-Backbone interact. energy: 0.536
local terms energy: -60.912517
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -11.218
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: 9
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -143.198700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.198700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.204394 (E_RNA)
where:
Base-Base interactions energy: -82.452
where: short stacking energy: -48.564
Base-Backbone interact. energy: 1.275
local terms energy: -62.026646
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -9.394
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -8.329
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. 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: -127.864376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.864376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.867328 (E_RNA)
where:
Base-Base interactions energy: -68.230
where: short stacking energy: -33.981
Base-Backbone interact. energy: -0.054
local terms energy: -59.582654
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -5.050
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -134.816974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.816974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.816974 (E_RNA)
where:
Base-Base interactions energy: -69.573
where: short stacking energy: -42.268
Base-Backbone interact. energy: -0.142
local terms energy: -65.101709
where:
bonds (distance) C4'-P energy: -11.456
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -12.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -127.091974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.091974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.125574 (E_RNA)
where:
Base-Base interactions energy: -68.199
where: short stacking energy: -33.980
Base-Backbone interact. energy: -0.193
local terms energy: -58.733972
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -7.027
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -209.699966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.699966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.888478 (E_RNA)
where:
Base-Base interactions energy: -125.611
where: short stacking energy: -75.041
Base-Backbone interact. energy: -0.217
local terms energy: -84.060600
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -19.421
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -21.656
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -190.348021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.348021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.369499 (E_RNA)
where:
Base-Base interactions energy: -115.224
where: short stacking energy: -62.221
Base-Backbone interact. energy: 1.346
local terms energy: -76.491806
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -13.826
tors. eta vs tors. theta energy: -16.882
Dist. restrs. and SS energy: 0.021 (S_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: 47
Temperature: 1.000000
Total energy: -163.116871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.116871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.116871 (E_RNA)
where:
Base-Base interactions energy: -97.321
where: short stacking energy: -53.832
Base-Backbone interact. energy: 0.410
local terms energy: -66.205711
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -11.484
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -11.599
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: 1
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -169.585805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.585805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.772821 (E_RNA)
where:
Base-Base interactions energy: -103.594
where: short stacking energy: -58.965
Base-Backbone interact. energy: -0.023
local terms energy: -66.155570
where:
bonds (distance) C4'-P energy: -11.108
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -10.931
flat angles P-C4'-P energy: -13.785
tors. eta vs tors. theta energy: -16.532
Dist. restrs. and SS energy: 0.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -167.222880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.222880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.466229 (E_RNA)
where:
Base-Base interactions energy: -97.655
where: short stacking energy: -49.121
Base-Backbone interact. energy: -0.014
local terms energy: -69.797714
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -10.797
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -16.060
Dist. restrs. and SS energy: 0.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -163.311090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.311090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.312359 (E_RNA)
where:
Base-Base interactions energy: -96.135
where: short stacking energy: -53.426
Base-Backbone interact. energy: -0.037
local terms energy: -67.140779
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -11.810
Dist. restrs. and SS energy: 0.001 (S_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: -165.854860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.854860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.854860 (E_RNA)
where:
Base-Base interactions energy: -91.299
where: short stacking energy: -63.940
Base-Backbone interact. energy: -0.002
local terms energy: -74.553883
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -18.358
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -128.005232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.005232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.016923 (E_RNA)
where:
Base-Base interactions energy: -73.396
where: short stacking energy: -44.210
Base-Backbone interact. energy: -0.308
local terms energy: -54.312539
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -5.058
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -119.052437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.052437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.052437 (E_RNA)
where:
Base-Base interactions energy: -69.944
where: short stacking energy: -40.187
Base-Backbone interact. energy: -0.217
local terms energy: -48.890488
where:
bonds (distance) C4'-P energy: -11.195
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -0.619
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: 10, replica: 10
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -127.879015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.879015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.193860 (E_RNA)
where:
Base-Base interactions energy: -68.020
where: short stacking energy: -43.081
Base-Backbone interact. energy: 0.058
local terms energy: -60.232391
where:
bonds (distance) C4'-P energy: -12.018
bonds (distance) P-C4' energy: -16.968
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -7.371
Dist. restrs. and SS energy: 0.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -186.490254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.490254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.573322 (E_RNA)
where:
Base-Base interactions energy: -109.199
where: short stacking energy: -59.539
Base-Backbone interact. energy: 2.706
local terms energy: -80.080405
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -17.764
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -16.511
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -198.218444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.218444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.620273 (E_RNA)
where:
Base-Base interactions energy: -120.153
where: short stacking energy: -77.022
Base-Backbone interact. energy: -0.039
local terms energy: -78.428860
where:
bonds (distance) C4'-P energy: -14.780
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: -21.727
Dist. restrs. and SS energy: 0.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -184.810338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.810338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.941616 (E_RNA)
where:
Base-Base interactions energy: -106.120
where: short stacking energy: -59.639
Base-Backbone interact. energy: -0.026
local terms energy: -78.794778
where:
bonds (distance) C4'-P energy: -17.289
bonds (distance) P-C4' energy: -17.275
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -17.729
Dist. restrs. and SS energy: 0.131 (S_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: 48
Temperature: 1.050000
Total energy: -175.989753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.989753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.125105 (E_RNA)
where:
Base-Base interactions energy: -104.884
where: short stacking energy: -60.237
Base-Backbone interact. energy: -0.105
local terms energy: -71.135812
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -15.774
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -158.326112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.326112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.326112 (E_RNA)
where:
Base-Base interactions energy: -95.153
where: short stacking energy: -53.620
Base-Backbone interact. energy: -0.175
local terms energy: -62.998743
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -3.260
tors. eta vs tors. theta energy: -15.749
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: 6
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -160.549536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.549536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.777739 (E_RNA)
where:
Base-Base interactions energy: -99.142
where: short stacking energy: -41.142
Base-Backbone interact. energy: -0.173
local terms energy: -61.463050
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -9.661
Dist. restrs. and SS energy: 0.228 (S_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: -140.817004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.817004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.070742 (E_RNA)
where:
Base-Base interactions energy: -81.093
where: short stacking energy: -41.260
Base-Backbone interact. energy: -0.122
local terms energy: -59.855748
where:
bonds (distance) C4'-P energy: -17.313
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -5.781
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. 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: -143.823390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.823390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.847555 (E_RNA)
where:
Base-Base interactions energy: -91.348
where: short stacking energy: -47.028
Base-Backbone interact. energy: -0.033
local terms energy: -52.466468
where:
bonds (distance) C4'-P energy: -7.722
bonds (distance) P-C4' energy: -12.079
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -8.056
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -122.742328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.742328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.753286 (E_RNA)
where:
Base-Base interactions energy: -65.453
where: short stacking energy: -36.481
Base-Backbone interact. energy: -0.183
local terms energy: -57.117390
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -19.578
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -2.601
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -110.989170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.989170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.989170 (E_RNA)
where:
Base-Base interactions energy: -63.093
where: short stacking energy: -27.627
Base-Backbone interact. energy: 0.797
local terms energy: -48.693103
where:
bonds (distance) C4'-P energy: -10.138
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -5.612
tors. eta vs tors. theta energy: -3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -201.593074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.593074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.593074 (E_RNA)
where:
Base-Base interactions energy: -119.039
where: short stacking energy: -70.128
Base-Backbone interact. energy: -0.001
local terms energy: -82.552982
where:
bonds (distance) C4'-P energy: -18.147
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -13.970
tors. eta vs tors. theta energy: -17.612
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: 1
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -202.226894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.226894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.246070 (E_RNA)
where:
Base-Base interactions energy: -119.853
where: short stacking energy: -79.087
Base-Backbone interact. energy: -0.043
local terms energy: -82.350648
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -19.814
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -22.068
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -179.599745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.599745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.604613 (E_RNA)
where:
Base-Base interactions energy: -106.518
where: short stacking energy: -62.791
Base-Backbone interact. energy: -0.004
local terms energy: -73.083342
where:
bonds (distance) C4'-P energy: -12.938
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -18.365
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -176.888745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.888745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.888745 (E_RNA)
where:
Base-Base interactions energy: -98.968
where: short stacking energy: -57.510
Base-Backbone interact. energy: -0.148
local terms energy: -77.772870
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -18.037
flat angles C4'-P-C4' energy: -18.770
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -14.954
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -152.766634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.766634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.766634 (E_RNA)
where:
Base-Base interactions energy: -92.471
where: short stacking energy: -52.471
Base-Backbone interact. energy: -0.015
local terms energy: -60.279973
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -10.016
flat angles C4'-P-C4' energy: -9.205
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -12.203
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -145.669578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.669578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.927111 (E_RNA)
where:
Base-Base interactions energy: -86.007
where: short stacking energy: -47.670
Base-Backbone interact. energy: -0.190
local terms energy: -59.730282
where:
bonds (distance) C4'-P energy: -9.749
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -8.471
Dist. restrs. and SS energy: 0.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -141.731309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.731309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.760522 (E_RNA)
where:
Base-Base interactions energy: -78.638
where: short stacking energy: -42.116
Base-Backbone interact. energy: -0.153
local terms energy: -62.969333
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -4.983
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. 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: -137.941144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.941144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.031086 (E_RNA)
where:
Base-Base interactions energy: -79.165
where: short stacking energy: -50.556
Base-Backbone interact. energy: 1.165
local terms energy: -60.031851
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -10.057
Dist. restrs. and SS energy: 0.090 (S_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: 49
Temperature: 1.300000
Total energy: -120.226639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.226639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.391617 (E_RNA)
where:
Base-Base interactions energy: -65.430
where: short stacking energy: -38.286
Base-Backbone interact. energy: -0.297
local terms energy: -54.664496
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -4.000
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -143.801335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.801335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.904606 (E_RNA)
where:
Base-Base interactions energy: -84.566
where: short stacking energy: -44.830
Base-Backbone interact. energy: -0.175
local terms energy: -59.163913
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -8.725
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -196.517670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.517670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.517670 (E_RNA)
where:
Base-Base interactions energy: -117.533
where: short stacking energy: -73.978
Base-Backbone interact. energy: -0.079
local terms energy: -78.905321
where:
bonds (distance) C4'-P energy: -17.955
bonds (distance) P-C4' energy: -17.106
flat angles C4'-P-C4' energy: -10.713
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -20.960
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -189.221344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.221344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.858093 (E_RNA)
where:
Base-Base interactions energy: -113.967
where: short stacking energy: -65.998
Base-Backbone interact. energy: -0.019
local terms energy: -75.872217
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -18.747
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: -16.831
Dist. restrs. and SS energy: 0.637 (S_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: 50
Temperature: 1.000000
Total energy: -177.201631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.201631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.201631 (E_RNA)
where:
Base-Base interactions energy: -100.530
where: short stacking energy: -59.243
Base-Backbone interact. energy: -0.384
local terms energy: -76.288167
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -19.414
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -164.269452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.269452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.301321 (E_RNA)
where:
Base-Base interactions energy: -100.355
where: short stacking energy: -59.587
Base-Backbone interact. energy: -1.405
local terms energy: -62.541647
where:
bonds (distance) C4'-P energy: -15.405
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -14.477
Dist. restrs. and SS energy: 0.032 (S_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: 50
Temperature: 1.100000
Total energy: -161.833444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.833444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.929023 (E_RNA)
where:
Base-Base interactions energy: -94.520
where: short stacking energy: -49.032
Base-Backbone interact. energy: -0.042
local terms energy: -67.367041
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -11.546
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -154.603423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.603423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.664450 (E_RNA)
where:
Base-Base interactions energy: -95.971
where: short stacking energy: -49.172
Base-Backbone interact. energy: -0.153
local terms energy: -58.541147
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -8.651
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -147.516248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.516248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.516248 (E_RNA)
where:
Base-Base interactions energy: -86.125
where: short stacking energy: -52.356
Base-Backbone interact. energy: -0.091
local terms energy: -61.300261
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -7.014
tors. eta vs tors. theta energy: -10.847
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: 8, replica: 6
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -144.197713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.197713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.400066 (E_RNA)
where:
Base-Base interactions energy: -80.226
where: short stacking energy: -37.820
Base-Backbone interact. energy: -0.329
local terms energy: -63.845704
where:
bonds (distance) C4'-P energy: -13.749
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -4.874
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -128.092149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.092149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.146050 (E_RNA)
where:
Base-Base interactions energy: -64.870
where: short stacking energy: -35.780
Base-Backbone interact. energy: -0.689
local terms energy: -62.586411
where:
bonds (distance) C4'-P energy: -13.898
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -5.599
Dist. restrs. and SS energy: 0.054 (S_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: 50
Temperature: 1.350000
Total energy: -112.769905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.769905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.769905 (E_RNA)
where:
Base-Base interactions energy: -64.845
where: short stacking energy: -37.037
Base-Backbone interact. energy: -0.231
local terms energy: -47.693309
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -9.629
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: -1.751
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -204.701100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.701100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.718921 (E_RNA)
where:
Base-Base interactions energy: -124.671
where: short stacking energy: -74.687
Base-Backbone interact. energy: -0.040
local terms energy: -80.007401
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -21.188
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -199.827000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.827000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.893926 (E_RNA)
where:
Base-Base interactions energy: -123.215
where: short stacking energy: -72.760
Base-Backbone interact. energy: 1.664
local terms energy: -78.342591
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -18.350
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -179.275252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.275252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.275252 (E_RNA)
where:
Base-Base interactions energy: -98.678
where: short stacking energy: -54.779
Base-Backbone interact. energy: 0.817
local terms energy: -81.414134
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -18.658
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -16.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -159.894584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.894584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.183655 (E_RNA)
where:
Base-Base interactions energy: -98.694
where: short stacking energy: -55.441
Base-Backbone interact. energy: -0.093
local terms energy: -61.396698
where:
bonds (distance) C4'-P energy: -8.853
bonds (distance) P-C4' energy: -15.919
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -12.246
Dist. restrs. and SS energy: 0.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -160.836021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.836021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.895928 (E_RNA)
where:
Base-Base interactions energy: -94.904
where: short stacking energy: -53.005
Base-Backbone interact. energy: -0.073
local terms energy: -65.919164
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -11.784
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -146.703285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.703285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.825255 (E_RNA)
where:
Base-Base interactions energy: -93.705
where: short stacking energy: -49.943
Base-Backbone interact. energy: -1.276
local terms energy: -51.844184
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: 0.369
tors. eta vs tors. theta energy: -13.446
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -143.791444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.791444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.966466 (E_RNA)
where:
Base-Base interactions energy: -88.806
where: short stacking energy: -46.945
Base-Backbone interact. energy: -0.035
local terms energy: -55.124931
where:
bonds (distance) C4'-P energy: -11.198
bonds (distance) P-C4' energy: -8.967
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -7.079
tors. eta vs tors. theta energy: -12.629
Dist. restrs. and SS energy: 0.175 (S_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: 51
Temperature: 1.250000
Total energy: -144.906540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.906540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.064919 (E_RNA)
where:
Base-Base interactions energy: -78.742
where: short stacking energy: -43.986
Base-Backbone interact. energy: -0.480
local terms energy: -65.843055
where:
bonds (distance) C4'-P energy: -9.419
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -14.818
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -128.426021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.426021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.426021 (E_RNA)
where:
Base-Base interactions energy: -68.889
where: short stacking energy: -35.519
Base-Backbone interact. energy: -0.022
local terms energy: -59.514559
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -2.681
tors. eta vs tors. theta energy: -7.905
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -112.907457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.907457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.925646 (E_RNA)
where:
Base-Base interactions energy: -58.858
where: short stacking energy: -30.533
Base-Backbone interact. energy: -0.180
local terms energy: -53.887767
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -2.917
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -197.127932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.127932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.226175 (E_RNA)
where:
Base-Base interactions energy: -126.076
where: short stacking energy: -78.331
Base-Backbone interact. energy: 0.226
local terms energy: -71.375480
where:
bonds (distance) C4'-P energy: -13.302
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -20.183
Dist. restrs. and SS energy: 0.098 (S_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: 52
Temperature: 0.950000
Total energy: -191.113204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.113204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.317746 (E_RNA)
where:
Base-Base interactions energy: -111.617
where: short stacking energy: -68.253
Base-Backbone interact. energy: -0.022
local terms energy: -79.678954
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -17.592
Dist. restrs. and SS energy: 0.205 (S_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: 52
Temperature: 1.000000
Total energy: -179.772705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.772705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.014066 (E_RNA)
where:
Base-Base interactions energy: -107.494
where: short stacking energy: -56.502
Base-Backbone interact. energy: -1.032
local terms energy: -71.487263
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -17.866
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -15.560
Dist. restrs. and SS energy: 0.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -174.712467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.712467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.135978 (E_RNA)
where:
Base-Base interactions energy: -104.827
where: short stacking energy: -57.549
Base-Backbone interact. energy: -0.001
local terms energy: -70.308905
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -16.561
Dist. restrs. and SS energy: 0.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -170.253282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.253282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.646518 (E_RNA)
where:
Base-Base interactions energy: -104.058
where: short stacking energy: -57.229
Base-Backbone interact. energy: -0.125
local terms energy: -66.463421
where:
bonds (distance) C4'-P energy: -16.672
bonds (distance) P-C4' energy: -10.495
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -16.534
Dist. restrs. and SS energy: 0.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -151.285746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.285746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.305450 (E_RNA)
where:
Base-Base interactions energy: -87.787
where: short stacking energy: -53.439
Base-Backbone interact. energy: -0.210
local terms energy: -63.307912
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -9.826
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -137.456104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.456104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.456104 (E_RNA)
where:
Base-Base interactions energy: -73.697
where: short stacking energy: -44.642
Base-Backbone interact. energy: -0.154
local terms energy: -63.604884
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -13.059
flat angles C4'-P-C4' energy: -7.679
flat angles P-C4'-P energy: -14.830
tors. eta vs tors. theta energy: -11.800
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: 8, replica: 8
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -137.255891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.255891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.264451 (E_RNA)
where:
Base-Base interactions energy: -75.689
where: short stacking energy: -36.861
Base-Backbone interact. energy: -0.459
local terms energy: -61.116174
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -9.175
Dist. restrs. and SS energy: 0.009 (S_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: 52
Temperature: 1.300000
Total energy: -119.093350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.093350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.176139 (E_RNA)
where:
Base-Base interactions energy: -60.482
where: short stacking energy: -33.136
Base-Backbone interact. energy: -0.233
local terms energy: -58.460814
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: -6.520
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -111.044312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.044312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.146052 (E_RNA)
where:
Base-Base interactions energy: -53.803
where: short stacking energy: -23.619
Base-Backbone interact. energy: -0.691
local terms energy: -56.651664
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -20.050
flat angles C4'-P-C4' energy: -10.872
flat angles P-C4'-P energy: -6.019
tors. eta vs tors. theta energy: -3.038
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -198.950231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.950231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.976395 (E_RNA)
where:
Base-Base interactions energy: -114.956
where: short stacking energy: -65.563
Base-Backbone interact. energy: -0.646
local terms energy: -83.374352
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -19.716
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -172.521314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.521314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.895126 (E_RNA)
where:
Base-Base interactions energy: -100.900
where: short stacking energy: -56.405
Base-Backbone interact. energy: -0.591
local terms energy: -71.403337
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -12.897
Dist. restrs. and SS energy: 0.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -174.871009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.871009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.873317 (E_RNA)
where:
Base-Base interactions energy: -100.019
where: short stacking energy: -64.385
Base-Backbone interact. energy: -0.006
local terms energy: -74.848089
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -16.066
Dist. restrs. and SS energy: 0.002 (S_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: 53
Temperature: 1.050000
Total energy: -186.038521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.038521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.138095 (E_RNA)
where:
Base-Base interactions energy: -111.337
where: short stacking energy: -71.196
Base-Backbone interact. energy: -0.013
local terms energy: -74.788609
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -18.052
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -6.777
tors. eta vs tors. theta energy: -19.337
Dist. restrs. and SS energy: 0.100 (S_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: 53
Temperature: 1.100000
Total energy: -165.870761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.870761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.976937 (E_RNA)
where:
Base-Base interactions energy: -98.249
where: short stacking energy: -58.266
Base-Backbone interact. energy: -0.094
local terms energy: -67.634108
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -6.064
tors. eta vs tors. theta energy: -17.225
Dist. restrs. and SS energy: 0.106 (S_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: 53
Temperature: 1.150000
Total energy: -155.088879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.088879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.089792 (E_RNA)
where:
Base-Base interactions energy: -90.192
where: short stacking energy: -56.713
Base-Backbone interact. energy: -0.105
local terms energy: -64.792824
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -11.231
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -10.596
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -137.136218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.136218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.593124 (E_RNA)
where:
Base-Base interactions energy: -81.553
where: short stacking energy: -36.376
Base-Backbone interact. energy: -0.226
local terms energy: -55.813873
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -3.806
tors. eta vs tors. theta energy: -9.510
Dist. restrs. and SS energy: 0.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -146.571916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.571916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.902635 (E_RNA)
where:
Base-Base interactions energy: -86.034
where: short stacking energy: -37.977
Base-Backbone interact. energy: 2.941
local terms energy: -63.808748
where:
bonds (distance) C4'-P energy: -17.057
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -6.669
Dist. restrs. and SS energy: 0.331 (S_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: 53
Temperature: 1.300000
Total energy: -135.783430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.783430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.931852 (E_RNA)
where:
Base-Base interactions energy: -85.560
where: short stacking energy: -42.955
Base-Backbone interact. energy: -0.227
local terms energy: -50.144615
where:
bonds (distance) C4'-P energy: -9.246
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -3.924
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -136.493481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.493481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.582194 (E_RNA)
where:
Base-Base interactions energy: -83.069
where: short stacking energy: -44.625
Base-Backbone interact. energy: -0.339
local terms energy: -53.174107
where:
bonds (distance) C4'-P energy: -8.749
bonds (distance) P-C4' energy: -11.281
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -8.269
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -188.039253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.039253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.039253 (E_RNA)
where:
Base-Base interactions energy: -109.601
where: short stacking energy: -62.484
Base-Backbone interact. energy: -0.022
local terms energy: -78.416372
where:
bonds (distance) C4'-P energy: -14.142
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -13.890
tors. eta vs tors. theta energy: -16.819
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: 7
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -198.734310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.734310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.371804 (E_RNA)
where:
Base-Base interactions energy: -119.807
where: short stacking energy: -66.780
Base-Backbone interact. energy: -0.024
local terms energy: -79.540588
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -18.539
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -19.140
Dist. restrs. and SS energy: 0.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -182.924689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.924689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.924689 (E_RNA)
where:
Base-Base interactions energy: -110.740
where: short stacking energy: -65.491
Base-Backbone interact. energy: -0.069
local terms energy: -72.115692
where:
bonds (distance) C4'-P energy: -12.519
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -17.057
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -171.891930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.891930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.153200 (E_RNA)
where:
Base-Base interactions energy: -104.910
where: short stacking energy: -55.822
Base-Backbone interact. energy: -0.092
local terms energy: -67.151003
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -15.067
Dist. restrs. and SS energy: 0.261 (S_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: 54
Temperature: 1.100000
Total energy: -176.484153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.484153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.484153 (E_RNA)
where:
Base-Base interactions energy: -102.744
where: short stacking energy: -58.751
Base-Backbone interact. energy: -0.014
local terms energy: -73.726572
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: -13.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -164.414020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.414020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.431708 (E_RNA)
where:
Base-Base interactions energy: -103.574
where: short stacking energy: -58.315
Base-Backbone interact. energy: 2.799
local terms energy: -63.656725
where:
bonds (distance) C4'-P energy: -10.479
bonds (distance) P-C4' energy: -12.688
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -12.543
tors. eta vs tors. theta energy: -12.860
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -150.417564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.417564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.419182 (E_RNA)
where:
Base-Base interactions energy: -84.880
where: short stacking energy: -39.540
Base-Backbone interact. energy: -0.192
local terms energy: -65.347915
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -17.161
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -13.809
tors. eta vs tors. theta energy: -8.854
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -120.297680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.297680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.297680 (E_RNA)
where:
Base-Base interactions energy: -60.185
where: short stacking energy: -29.078
Base-Backbone interact. energy: -0.404
local terms energy: -59.708291
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -7.566
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: 6
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -151.283835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.283835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.422184 (E_RNA)
where:
Base-Base interactions energy: -91.683
where: short stacking energy: -45.993
Base-Backbone interact. energy: -0.009
local terms energy: -59.730171
where:
bonds (distance) C4'-P energy: -12.767
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -9.013
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -10.547
Dist. restrs. and SS energy: 0.138 (S_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: 54
Temperature: 1.350000
Total energy: -118.794726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.794726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.872759 (E_RNA)
where:
Base-Base interactions energy: -70.376
where: short stacking energy: -31.840
Base-Backbone interact. energy: -0.157
local terms energy: -48.340204
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -5.739
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: -6.470
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -191.065452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.065452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.099548 (E_RNA)
where:
Base-Base interactions energy: -118.548
where: short stacking energy: -77.854
Base-Backbone interact. energy: -0.195
local terms energy: -72.357196
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -19.044
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -189.710948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.710948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.710948 (E_RNA)
where:
Base-Base interactions energy: -124.333
where: short stacking energy: -65.164
Base-Backbone interact. energy: -0.084
local terms energy: -65.293427
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -12.898
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -180.888698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.888698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.951915 (E_RNA)
where:
Base-Base interactions energy: -103.908
where: short stacking energy: -53.112
Base-Backbone interact. energy: -0.174
local terms energy: -76.869822
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: -15.892
Dist. restrs. and SS energy: 0.063 (S_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: 55
Temperature: 1.050000
Total energy: -168.958667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.958667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.350555 (E_RNA)
where:
Base-Base interactions energy: -98.588
where: short stacking energy: -58.602
Base-Backbone interact. energy: -0.023
local terms energy: -70.740152
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -18.430
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -13.822
Dist. restrs. and SS energy: 0.392 (S_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: 55
Temperature: 1.100000
Total energy: -160.263882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.263882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.499129 (E_RNA)
where:
Base-Base interactions energy: -95.228
where: short stacking energy: -38.999
Base-Backbone interact. energy: -0.486
local terms energy: -64.784948
where:
bonds (distance) C4'-P energy: -13.302
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -9.448
Dist. restrs. and SS energy: 0.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -150.979899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.979899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.222442 (E_RNA)
where:
Base-Base interactions energy: -86.207
where: short stacking energy: -53.223
Base-Backbone interact. energy: -0.102
local terms energy: -64.913678
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -11.981
Dist. restrs. and SS energy: 0.243 (S_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: -152.600053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.600053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.653607 (E_RNA)
where:
Base-Base interactions energy: -91.510
where: short stacking energy: -47.699
Base-Backbone interact. energy: -0.208
local terms energy: -60.935609
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -13.868
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -134.298453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.298453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.320906 (E_RNA)
where:
Base-Base interactions energy: -85.226
where: short stacking energy: -47.317
Base-Backbone interact. energy: -0.255
local terms energy: -48.839478
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -4.289
tors. eta vs tors. theta energy: -5.784
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. 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: -128.131744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.131744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.131744 (E_RNA)
where:
Base-Base interactions energy: -69.699
where: short stacking energy: -38.430
Base-Backbone interact. energy: -1.171
local terms energy: -57.261560
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -15.951
flat angles C4'-P-C4' energy: -10.683
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -9.319
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -134.855466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.855466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.046360 (E_RNA)
where:
Base-Base interactions energy: -85.964
where: short stacking energy: -38.176
Base-Backbone interact. energy: -0.103
local terms energy: -48.979549
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -10.629
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -4.917
tors. eta vs tors. theta energy: -4.196
Dist. restrs. and SS energy: 0.191 (S_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: 56
Temperature: 0.900000
Total energy: -197.173272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.173272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.226972 (E_RNA)
where:
Base-Base interactions energy: -120.171
where: short stacking energy: -74.327
Base-Backbone interact. energy: -0.046
local terms energy: -77.010389
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -18.431
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -184.492372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.492372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.538272 (E_RNA)
where:
Base-Base interactions energy: -108.588
where: short stacking energy: -63.955
Base-Backbone interact. energy: -0.021
local terms energy: -75.928706
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -20.050
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -14.381
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -181.255205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.255205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.323032 (E_RNA)
where:
Base-Base interactions energy: -106.377
where: short stacking energy: -66.285
Base-Backbone interact. energy: -0.000
local terms energy: -74.945622
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -16.028
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -151.601013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.601013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.602004 (E_RNA)
where:
Base-Base interactions energy: -91.753
where: short stacking energy: -43.529
Base-Backbone interact. energy: 1.062
local terms energy: -60.910416
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -3.775
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -169.428552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.428552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.624790 (E_RNA)
where:
Base-Base interactions energy: -103.057
where: short stacking energy: -47.795
Base-Backbone interact. energy: -0.530
local terms energy: -66.037434
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -10.211
Dist. restrs. and SS energy: 0.196 (S_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: 56
Temperature: 1.150000
Total energy: -151.902323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.902323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.093229 (E_RNA)
where:
Base-Base interactions energy: -95.440
where: short stacking energy: -47.405
Base-Backbone interact. energy: -0.850
local terms energy: -55.803044
where:
bonds (distance) C4'-P energy: -12.585
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -8.455
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -155.883716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.883716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.909494 (E_RNA)
where:
Base-Base interactions energy: -88.561
where: short stacking energy: -46.572
Base-Backbone interact. energy: -0.020
local terms energy: -67.328201
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -10.573
Dist. restrs. and SS energy: 0.026 (S_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: 56
Temperature: 1.250000
Total energy: -140.916204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.916204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.929111 (E_RNA)
where:
Base-Base interactions energy: -80.817
where: short stacking energy: -47.746
Base-Backbone interact. energy: -0.138
local terms energy: -59.974190
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -10.623
flat angles C4'-P-C4' energy: -18.816
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: -9.467
Dist. restrs. and SS energy: 0.013 (S_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: 56
Temperature: 1.300000
Total energy: -151.163752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.163752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.163752 (E_RNA)
where:
Base-Base interactions energy: -96.796
where: short stacking energy: -40.549
Base-Backbone interact. energy: -0.141
local terms energy: -54.226848
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: -10.350
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -136.278073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.278073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.337664 (E_RNA)
where:
Base-Base interactions energy: -79.291
where: short stacking energy: -38.730
Base-Backbone interact. energy: -0.077
local terms energy: -56.969211
where:
bonds (distance) C4'-P energy: -8.550
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -6.834
Dist. restrs. and SS energy: 0.060 (S_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: 57
Temperature: 0.900000
Total energy: -180.738073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.738073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.014987 (E_RNA)
where:
Base-Base interactions energy: -102.954
where: short stacking energy: -59.524
Base-Backbone interact. energy: -0.001
local terms energy: -78.060215
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -19.980
Dist. restrs. and SS energy: 0.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -187.906783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.906783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.966426 (E_RNA)
where:
Base-Base interactions energy: -117.870
where: short stacking energy: -58.373
Base-Backbone interact. energy: -0.129
local terms energy: -69.966966
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -7.286
tors. eta vs tors. theta energy: -12.785
Dist. restrs. and SS energy: 0.060 (S_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: -179.501493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.501493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.612114 (E_RNA)
where:
Base-Base interactions energy: -109.125
where: short stacking energy: -66.147
Base-Backbone interact. energy: -0.042
local terms energy: -70.445462
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -19.325
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -170.496416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.496416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.772625 (E_RNA)
where:
Base-Base interactions energy: -104.661
where: short stacking energy: -49.273
Base-Backbone interact. energy: -0.296
local terms energy: -65.816103
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -13.646
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -11.964
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -171.891125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.891125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.915137 (E_RNA)
where:
Base-Base interactions energy: -99.716
where: short stacking energy: -60.967
Base-Backbone interact. energy: -0.126
local terms energy: -72.073276
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -13.605
tors. eta vs tors. theta energy: -14.015
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -151.924457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.924457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.928879 (E_RNA)
where:
Base-Base interactions energy: -85.432
where: short stacking energy: -53.384
Base-Backbone interact. energy: 1.735
local terms energy: -68.231544
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -12.708
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -159.062308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.062308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.161499 (E_RNA)
where:
Base-Base interactions energy: -103.940
where: short stacking energy: -48.154
Base-Backbone interact. energy: -0.252
local terms energy: -54.969575
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -4.126
tors. eta vs tors. theta energy: -9.826
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. 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: -145.968266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.968266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.968266 (E_RNA)
where:
Base-Base interactions energy: -86.336
where: short stacking energy: -51.430
Base-Backbone interact. energy: -0.046
local terms energy: -59.585924
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -9.139
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -123.698438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.698438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.779222 (E_RNA)
where:
Base-Base interactions energy: -68.568
where: short stacking energy: -36.300
Base-Backbone interact. energy: -0.111
local terms energy: -55.099774
where:
bonds (distance) C4'-P energy: -17.331
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -10.151
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -5.707
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -122.044886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.044886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.319887 (E_RNA)
where:
Base-Base interactions energy: -68.442
where: short stacking energy: -31.326
Base-Backbone interact. energy: 0.494
local terms energy: -54.372127
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -5.776
Dist. restrs. and SS energy: 0.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -177.487088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.487088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.703581 (E_RNA)
where:
Base-Base interactions energy: -107.989
where: short stacking energy: -64.330
Base-Backbone interact. energy: -0.012
local terms energy: -69.702243
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -14.925
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -188.663830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.663830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.802777 (E_RNA)
where:
Base-Base interactions energy: -112.892
where: short stacking energy: -60.019
Base-Backbone interact. energy: -0.021
local terms energy: -75.888981
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -12.540
flat angles C4'-P-C4' energy: -17.537
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -16.786
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -164.077834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.077834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.122170 (E_RNA)
where:
Base-Base interactions energy: -100.429
where: short stacking energy: -51.909
Base-Backbone interact. energy: -0.058
local terms energy: -63.635201
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -11.210
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -170.080452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.080452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.493505 (E_RNA)
where:
Base-Base interactions energy: -100.866
where: short stacking energy: -54.349
Base-Backbone interact. energy: 0.601
local terms energy: -70.229079
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -16.194
Dist. restrs. and SS energy: 0.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -160.289468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.289468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.491655 (E_RNA)
where:
Base-Base interactions energy: -89.894
where: short stacking energy: -49.702
Base-Backbone interact. energy: -0.186
local terms energy: -70.411301
where:
bonds (distance) C4'-P energy: -15.948
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -11.787
Dist. restrs. and SS energy: 0.202 (S_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: -138.391949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.391949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.391949 (E_RNA)
where:
Base-Base interactions energy: -77.886
where: short stacking energy: -39.409
Base-Backbone interact. energy: 0.018
local terms energy: -60.523780
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -6.988
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -161.502073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.502073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.502073 (E_RNA)
where:
Base-Base interactions energy: -102.230
where: short stacking energy: -58.640
Base-Backbone interact. energy: -0.044
local terms energy: -59.228781
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -3.088
tors. eta vs tors. theta energy: -15.965
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: 3
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -128.727366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.727366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.785227 (E_RNA)
where:
Base-Base interactions energy: -73.918
where: short stacking energy: -42.774
Base-Backbone interact. energy: 0.011
local terms energy: -54.878720
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -12.879
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -4.014
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -140.081566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.081566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.101505 (E_RNA)
where:
Base-Base interactions energy: -83.409
where: short stacking energy: -38.525
Base-Backbone interact. energy: -0.190
local terms energy: -56.503048
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -10.315
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -9.360
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -123.773654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.773654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.266878 (E_RNA)
where:
Base-Base interactions energy: -75.885
where: short stacking energy: -37.581
Base-Backbone interact. energy: -0.693
local terms energy: -47.689592
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -6.845
flat angles C4'-P-C4' energy: -9.170
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: -8.390
Dist. restrs. and SS energy: 0.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -190.501478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.501478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.501478 (E_RNA)
where:
Base-Base interactions energy: -114.799
where: short stacking energy: -65.105
Base-Backbone interact. energy: -0.195
local terms energy: -75.507235
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -6.801
tors. eta vs tors. theta energy: -20.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -187.121991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.121991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.226238 (E_RNA)
where:
Base-Base interactions energy: -112.845
where: short stacking energy: -68.335
Base-Backbone interact. energy: -0.101
local terms energy: -74.280677
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -13.259
tors. eta vs tors. theta energy: -18.583
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -181.197831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.197831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.217968 (E_RNA)
where:
Base-Base interactions energy: -107.506
where: short stacking energy: -60.551
Base-Backbone interact. energy: -0.007
local terms energy: -73.704925
where:
bonds (distance) C4'-P energy: -16.655
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -9.679
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -18.532
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -151.931379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.931379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.956516 (E_RNA)
where:
Base-Base interactions energy: -87.340
where: short stacking energy: -46.794
Base-Backbone interact. energy: -0.310
local terms energy: -64.307151
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -6.869
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -157.173923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.173923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.173923 (E_RNA)
where:
Base-Base interactions energy: -86.015
where: short stacking energy: -52.109
Base-Backbone interact. energy: -1.240
local terms energy: -69.918883
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -12.718
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -167.469552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.469552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.877961 (E_RNA)
where:
Base-Base interactions energy: -103.860
where: short stacking energy: -60.695
Base-Backbone interact. energy: -0.204
local terms energy: -63.813977
where:
bonds (distance) C4'-P energy: -13.347
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -15.557
Dist. restrs. and SS energy: 0.408 (S_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: 59
Temperature: 1.200000
Total energy: -141.500015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.500015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.564413 (E_RNA)
where:
Base-Base interactions energy: -89.801
where: short stacking energy: -42.055
Base-Backbone interact. energy: -0.017
local terms energy: -51.745956
where:
bonds (distance) C4'-P energy: -8.304
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -10.136
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -6.837
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -124.534211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.534211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.767812 (E_RNA)
where:
Base-Base interactions energy: -69.261
where: short stacking energy: -32.005
Base-Backbone interact. energy: -0.848
local terms energy: -54.659102
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -9.748
flat angles P-C4'-P energy: -6.802
tors. eta vs tors. theta energy: -6.541
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -138.876353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.876353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.915359 (E_RNA)
where:
Base-Base interactions energy: -80.752
where: short stacking energy: -47.579
Base-Backbone interact. energy: -0.194
local terms energy: -57.969669
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -5.078
tors. eta vs tors. theta energy: -13.144
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -111.076444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.076444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.110553 (E_RNA)
where:
Base-Base interactions energy: -57.420
where: short stacking energy: -33.555
Base-Backbone interact. energy: -0.313
local terms energy: -53.377298
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -3.877
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -196.270854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.270854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.375188 (E_RNA)
where:
Base-Base interactions energy: -119.547
where: short stacking energy: -69.518
Base-Backbone interact. energy: -0.152
local terms energy: -76.676119
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -19.672
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -193.551557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.551557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.576499 (E_RNA)
where:
Base-Base interactions energy: -118.155
where: short stacking energy: -68.765
Base-Backbone interact. energy: -0.012
local terms energy: -75.409111
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -19.377
Dist. restrs. and SS energy: 0.025 (S_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: 60
Temperature: 1.000000
Total energy: -167.440394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.440394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.466472 (E_RNA)
where:
Base-Base interactions energy: -101.656
where: short stacking energy: -61.826
Base-Backbone interact. energy: -0.002
local terms energy: -65.808676
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -13.932
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -13.981
Dist. restrs. and SS energy: 0.026 (S_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: -167.844152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.844152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.844152 (E_RNA)
where:
Base-Base interactions energy: -104.478
where: short stacking energy: -48.093
Base-Backbone interact. energy: -0.264
local terms energy: -63.102613
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -5.793
tors. eta vs tors. theta energy: -12.790
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -164.190961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.190961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.190961 (E_RNA)
where:
Base-Base interactions energy: -94.213
where: short stacking energy: -50.504
Base-Backbone interact. energy: -1.035
local terms energy: -68.942236
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -15.771
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -150.742334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.742334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.756312 (E_RNA)
where:
Base-Base interactions energy: -84.754
where: short stacking energy: -44.330
Base-Backbone interact. energy: 0.405
local terms energy: -66.407127
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -7.891
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -163.526960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.526960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.996623 (E_RNA)
where:
Base-Base interactions energy: -98.819
where: short stacking energy: -53.577
Base-Backbone interact. energy: -0.102
local terms energy: -65.074897
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -9.447
Dist. restrs. and SS energy: 0.470 (S_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: 60
Temperature: 1.250000
Total energy: -140.290470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.290470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.661378 (E_RNA)
where:
Base-Base interactions energy: -83.118
where: short stacking energy: -48.011
Base-Backbone interact. energy: 0.305
local terms energy: -57.848293
where:
bonds (distance) C4'-P energy: -9.311
bonds (distance) P-C4' energy: -13.586
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -5.959
Dist. restrs. and SS energy: 0.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -128.707591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.707591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.761993 (E_RNA)
where:
Base-Base interactions energy: -73.717
where: short stacking energy: -39.774
Base-Backbone interact. energy: -0.364
local terms energy: -54.681322
where:
bonds (distance) C4'-P energy: -11.551
bonds (distance) P-C4' energy: -13.594
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -3.231
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -130.161735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.161735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.177870 (E_RNA)
where:
Base-Base interactions energy: -79.517
where: short stacking energy: -43.819
Base-Backbone interact. energy: -0.119
local terms energy: -50.541842
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -10.395
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -7.650
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -194.928699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.928699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.156759 (E_RNA)
where:
Base-Base interactions energy: -120.229
where: short stacking energy: -67.179
Base-Backbone interact. energy: -0.152
local terms energy: -74.775976
where:
bonds (distance) C4'-P energy: -17.004
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -16.748
Dist. restrs. and SS energy: 0.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -193.746715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.746715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.787010 (E_RNA)
where:
Base-Base interactions energy: -120.700
where: short stacking energy: -73.923
Base-Backbone interact. energy: -0.148
local terms energy: -72.939505
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -20.059
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -190.257200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.257200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.257200 (E_RNA)
where:
Base-Base interactions energy: -119.517
where: short stacking energy: -69.822
Base-Backbone interact. energy: -0.154
local terms energy: -70.586144
where:
bonds (distance) C4'-P energy: -12.481
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -13.385
tors. eta vs tors. theta energy: -14.485
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -170.718255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.718255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.718255 (E_RNA)
where:
Base-Base interactions energy: -102.637
where: short stacking energy: -54.697
Base-Backbone interact. energy: -0.189
local terms energy: -67.891945
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -5.897
tors. eta vs tors. theta energy: -16.204
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: 5
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -178.456258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.456258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.502758 (E_RNA)
where:
Base-Base interactions energy: -109.566
where: short stacking energy: -54.545
Base-Backbone interact. energy: -0.946
local terms energy: -67.990386
where:
bonds (distance) C4'-P energy: -10.430
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -16.126
tors. eta vs tors. theta energy: -13.398
Dist. restrs. and SS energy: 0.046 (S_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: 61
Temperature: 1.150000
Total energy: -152.767389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.767389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.767389 (E_RNA)
where:
Base-Base interactions energy: -90.586
where: short stacking energy: -47.154
Base-Backbone interact. energy: 0.174
local terms energy: -62.355444
where:
bonds (distance) C4'-P energy: -17.935
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -3.703
tors. eta vs tors. theta energy: -13.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -147.744051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.744051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.744804 (E_RNA)
where:
Base-Base interactions energy: -87.763
where: short stacking energy: -48.640
Base-Backbone interact. energy: -0.357
local terms energy: -59.625423
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -11.830
Dist. restrs. and SS energy: 0.001 (S_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: 61
Temperature: 1.250000
Total energy: -125.888533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.888533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.945007 (E_RNA)
where:
Base-Base interactions energy: -76.163
where: short stacking energy: -30.839
Base-Backbone interact. energy: -0.852
local terms energy: -48.930104
where:
bonds (distance) C4'-P energy: -9.999
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: 0.110
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -129.258554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.258554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.313862 (E_RNA)
where:
Base-Base interactions energy: -75.666
where: short stacking energy: -43.591
Base-Backbone interact. energy: -0.005
local terms energy: -53.642383
where:
bonds (distance) C4'-P energy: -8.521
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -6.230
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -8.729
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -128.502753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.502753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.502753 (E_RNA)
where:
Base-Base interactions energy: -72.760
where: short stacking energy: -42.704
Base-Backbone interact. energy: 0.010
local terms energy: -55.752525
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -6.646
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -196.953993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.953993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.030570 (E_RNA)
where:
Base-Base interactions energy: -119.110
where: short stacking energy: -68.334
Base-Backbone interact. energy: -0.102
local terms energy: -77.818612
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -13.296
tors. eta vs tors. theta energy: -20.468
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -182.397108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.397108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.397108 (E_RNA)
where:
Base-Base interactions energy: -106.853
where: short stacking energy: -67.892
Base-Backbone interact. energy: 1.362
local terms energy: -76.906256
where:
bonds (distance) C4'-P energy: -15.405
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -17.002
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: 8
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -189.729645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.729645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.798846 (E_RNA)
where:
Base-Base interactions energy: -114.056
where: short stacking energy: -62.553
Base-Backbone interact. energy: -0.125
local terms energy: -75.617949
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -13.027
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -21.009
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -182.971629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.971629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.246599 (E_RNA)
where:
Base-Base interactions energy: -111.337
where: short stacking energy: -61.976
Base-Backbone interact. energy: -0.876
local terms energy: -71.033412
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -13.561
Dist. restrs. and SS energy: 0.275 (S_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: 62
Temperature: 1.100000
Total energy: -164.281533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.281533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.318604 (E_RNA)
where:
Base-Base interactions energy: -99.439
where: short stacking energy: -50.981
Base-Backbone interact. energy: -0.073
local terms energy: -64.806636
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -11.880
Dist. restrs. and SS energy: 0.037 (S_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: 62
Temperature: 1.150000
Total energy: -147.226571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.226571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.226571 (E_RNA)
where:
Base-Base interactions energy: -85.878
where: short stacking energy: -35.644
Base-Backbone interact. energy: -0.171
local terms energy: -61.177097
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -7.036
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: 2
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -136.188059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.188059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.195882 (E_RNA)
where:
Base-Base interactions energy: -83.305
where: short stacking energy: -36.611
Base-Backbone interact. energy: -0.546
local terms energy: -52.345040
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -18.447
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -2.032
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -136.211515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.211515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.211515 (E_RNA)
where:
Base-Base interactions energy: -81.965
where: short stacking energy: -39.805
Base-Backbone interact. energy: -0.280
local terms energy: -53.966402
where:
bonds (distance) C4'-P energy: -10.416
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -4.866
tors. eta vs tors. theta energy: -7.354
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -120.152857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.152857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.499387 (E_RNA)
where:
Base-Base interactions energy: -74.809
where: short stacking energy: -34.778
Base-Backbone interact. energy: -0.247
local terms energy: -50.442949
where:
bonds (distance) C4'-P energy: -8.939
bonds (distance) P-C4' energy: -13.636
flat angles C4'-P-C4' energy: -11.003
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -7.506
Dist. restrs. and SS energy: 5.347 (S_DIST_RNA)
chem. 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: -134.987978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.987978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.987978 (E_RNA)
where:
Base-Base interactions energy: -84.525
where: short stacking energy: -51.049
Base-Backbone interact. energy: -0.054
local terms energy: -50.409268
where:
bonds (distance) C4'-P energy: -12.403
bonds (distance) P-C4' energy: -10.969
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: -7.789
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: 1, replica: 1
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -202.565842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.565842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.615834 (E_RNA)
where:
Base-Base interactions energy: -116.300
where: short stacking energy: -71.792
Base-Backbone interact. energy: -0.071
local terms energy: -86.244867
where:
bonds (distance) C4'-P energy: -18.324
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -18.995
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -21.849
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -186.556103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.556103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.620361 (E_RNA)
where:
Base-Base interactions energy: -112.179
where: short stacking energy: -66.405
Base-Backbone interact. energy: -0.137
local terms energy: -74.304407
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -18.930
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -184.559357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.559357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.575311 (E_RNA)
where:
Base-Base interactions energy: -113.572
where: short stacking energy: -68.254
Base-Backbone interact. energy: -0.067
local terms energy: -70.935863
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -17.152
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -178.002315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.002315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.053038 (E_RNA)
where:
Base-Base interactions energy: -103.018
where: short stacking energy: -65.550
Base-Backbone interact. energy: -0.068
local terms energy: -74.967061
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -17.482
Dist. restrs. and SS energy: 0.051 (S_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: 63
Temperature: 1.100000
Total energy: -169.122321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.122321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.473380 (E_RNA)
where:
Base-Base interactions energy: -101.377
where: short stacking energy: -51.316
Base-Backbone interact. energy: -0.046
local terms energy: -68.050079
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -11.286
Dist. restrs. and SS energy: 0.351 (S_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: 63
Temperature: 1.150000
Total energy: -144.566650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.566650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.566650 (E_RNA)
where:
Base-Base interactions energy: -88.319
where: short stacking energy: -52.216
Base-Backbone interact. energy: -0.367
local terms energy: -55.880150
where:
bonds (distance) C4'-P energy: -9.680
bonds (distance) P-C4' energy: -11.938
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -7.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -147.063483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.063483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.151832 (E_RNA)
where:
Base-Base interactions energy: -83.994
where: short stacking energy: -50.932
Base-Backbone interact. energy: -0.387
local terms energy: -62.770195
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -9.757
Dist. restrs. and SS energy: 0.088 (S_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: 63
Temperature: 1.250000
Total energy: -130.075893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.075893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.114769 (E_RNA)
where:
Base-Base interactions energy: -70.709
where: short stacking energy: -41.752
Base-Backbone interact. energy: -0.123
local terms energy: -59.282415
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -11.515
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -9.025
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -119.861938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.861938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.861938 (E_RNA)
where:
Base-Base interactions energy: -75.058
where: short stacking energy: -38.994
Base-Backbone interact. energy: 2.477
local terms energy: -47.280409
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -2.608
tors. eta vs tors. theta energy: -0.899
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -143.427676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.427676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.427676 (E_RNA)
where:
Base-Base interactions energy: -74.702
where: short stacking energy: -40.986
Base-Backbone interact. energy: -0.515
local terms energy: -68.210933
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: -8.901
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: 1, replica: 1
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -206.453965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.453965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.453965 (E_RNA)
where:
Base-Base interactions energy: -126.968
where: short stacking energy: -75.502
Base-Backbone interact. energy: -0.001
local terms energy: -79.485200
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -21.880
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -167.932964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.932964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.118896 (E_RNA)
where:
Base-Base interactions energy: -104.340
where: short stacking energy: -44.431
Base-Backbone interact. energy: -0.289
local terms energy: -63.490069
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -16.863
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -6.934
Dist. restrs. and SS energy: 0.186 (S_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: 64
Temperature: 1.000000
Total energy: -168.451396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.451396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.465969 (E_RNA)
where:
Base-Base interactions energy: -97.129
where: short stacking energy: -58.214
Base-Backbone interact. energy: -0.261
local terms energy: -71.075762
where:
bonds (distance) C4'-P energy: -11.617
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -15.473
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -166.920228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.920228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.624433 (E_RNA)
where:
Base-Base interactions energy: -97.845
where: short stacking energy: -54.314
Base-Backbone interact. energy: -0.052
local terms energy: -69.727410
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: -10.269
Dist. restrs. and SS energy: 0.704 (S_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: 64
Temperature: 1.100000
Total energy: -166.551425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.551425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.857383 (E_RNA)
where:
Base-Base interactions energy: -92.332
where: short stacking energy: -52.650
Base-Backbone interact. energy: -0.165
local terms energy: -74.360981
where:
bonds (distance) C4'-P energy: -18.138
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -11.880
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -15.536
Dist. restrs. and SS energy: 0.306 (S_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: 64
Temperature: 1.150000
Total energy: -151.857384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.857384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.981438 (E_RNA)
where:
Base-Base interactions energy: -98.872
where: short stacking energy: -53.448
Base-Backbone interact. energy: -0.539
local terms energy: -52.570355
where:
bonds (distance) C4'-P energy: -6.713
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -9.427
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -11.846
Dist. restrs. and SS energy: 0.124 (S_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: 64
Temperature: 1.200000
Total energy: -120.225426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.225426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.342938 (E_RNA)
where:
Base-Base interactions energy: -61.618
where: short stacking energy: -39.487
Base-Backbone interact. energy: -0.064
local terms energy: -58.661670
where:
bonds (distance) C4'-P energy: -17.835
bonds (distance) P-C4' energy: -11.488
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -6.243
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -137.978226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.978226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.988356 (E_RNA)
where:
Base-Base interactions energy: -79.951
where: short stacking energy: -49.470
Base-Backbone interact. energy: -0.567
local terms energy: -57.469803
where:
bonds (distance) C4'-P energy: -11.551
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -10.734
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. 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: -132.967430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.967430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.967430 (E_RNA)
where:
Base-Base interactions energy: -76.748
where: short stacking energy: -36.428
Base-Backbone interact. energy: 0.198
local terms energy: -56.417606
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -16.251
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -4.750
tors. eta vs tors. theta energy: -5.033
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -125.281045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.281045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.367796 (E_RNA)
where:
Base-Base interactions energy: -70.409
where: short stacking energy: -37.996
Base-Backbone interact. energy: -0.080
local terms energy: -54.879257
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -4.863
tors. eta vs tors. theta energy: -6.091
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -210.472591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.472591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.740523 (E_RNA)
where:
Base-Base interactions energy: -125.010
where: short stacking energy: -74.561
Base-Backbone interact. energy: -0.003
local terms energy: -85.726850
where:
bonds (distance) C4'-P energy: -17.587
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -20.800
Dist. restrs. and SS energy: 0.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -181.922279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.922279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.381405 (E_RNA)
where:
Base-Base interactions energy: -105.354
where: short stacking energy: -63.271
Base-Backbone interact. energy: 0.647
local terms energy: -77.674333
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -18.757
Dist. restrs. and SS energy: 0.459 (S_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: 65
Temperature: 1.000000
Total energy: -174.937819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.937819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.102143 (E_RNA)
where:
Base-Base interactions energy: -100.866
where: short stacking energy: -59.987
Base-Backbone interact. energy: -0.205
local terms energy: -74.031073
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -20.031
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -154.014973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.014973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.022670 (E_RNA)
where:
Base-Base interactions energy: -91.930
where: short stacking energy: -56.594
Base-Backbone interact. energy: 0.574
local terms energy: -62.666990
where:
bonds (distance) C4'-P energy: -10.094
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -11.555
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -154.193283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.193283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.275154 (E_RNA)
where:
Base-Base interactions energy: -89.618
where: short stacking energy: -51.816
Base-Backbone interact. energy: -0.956
local terms energy: -63.701026
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -11.038
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -11.384
Dist. restrs. and SS energy: 0.082 (S_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: 65
Temperature: 1.150000
Total energy: -153.205144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.205144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.748320 (E_RNA)
where:
Base-Base interactions energy: -89.151
where: short stacking energy: -49.709
Base-Backbone interact. energy: -0.226
local terms energy: -64.371345
where:
bonds (distance) C4'-P energy: -13.881
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -14.468
Dist. restrs. and SS energy: 0.543 (S_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: 65
Temperature: 1.200000
Total energy: -140.978194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.978194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.978194 (E_RNA)
where:
Base-Base interactions energy: -78.034
where: short stacking energy: -42.076
Base-Backbone interact. energy: -0.182
local terms energy: -62.762009
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -10.135
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -148.693483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.693483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.951499 (E_RNA)
where:
Base-Base interactions energy: -81.049
where: short stacking energy: -42.299
Base-Backbone interact. energy: -0.059
local terms energy: -67.843072
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -13.205
Dist. restrs. and SS energy: 0.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -139.417130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.417130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.459750 (E_RNA)
where:
Base-Base interactions energy: -86.702
where: short stacking energy: -44.694
Base-Backbone interact. energy: -0.161
local terms energy: -52.596649
where:
bonds (distance) C4'-P energy: -9.865
bonds (distance) P-C4' energy: -15.003
flat angles C4'-P-C4' energy: -10.409
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -8.644
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -123.396080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.396080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.502522 (E_RNA)
where:
Base-Base interactions energy: -60.021
where: short stacking energy: -34.197
Base-Backbone interact. energy: -0.123
local terms energy: -63.358208
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -9.598
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -183.678617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.678617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.678617 (E_RNA)
where:
Base-Base interactions energy: -103.904
where: short stacking energy: -59.318
Base-Backbone interact. energy: -0.010
local terms energy: -79.764128
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -19.619
flat angles P-C4'-P energy: -13.700
tors. eta vs tors. theta energy: -17.647
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: 1
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -194.713665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.713665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.867944 (E_RNA)
where:
Base-Base interactions energy: -116.281
where: short stacking energy: -69.235
Base-Backbone interact. energy: -0.348
local terms energy: -78.238509
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -12.826
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -20.731
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -184.755608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.755608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.778014 (E_RNA)
where:
Base-Base interactions energy: -107.539
where: short stacking energy: -68.557
Base-Backbone interact. energy: -2.019
local terms energy: -75.219984
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -18.367
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -164.285711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.285711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.285711 (E_RNA)
where:
Base-Base interactions energy: -100.608
where: short stacking energy: -57.615
Base-Backbone interact. energy: -0.087
local terms energy: -63.591182
where:
bonds (distance) C4'-P energy: -11.125
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -14.095
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -158.166761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.166761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.196810 (E_RNA)
where:
Base-Base interactions energy: -87.735
where: short stacking energy: -53.028
Base-Backbone interact. energy: -0.609
local terms energy: -69.853255
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -14.605
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -145.139957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.139957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.142087 (E_RNA)
where:
Base-Base interactions energy: -81.606
where: short stacking energy: -47.064
Base-Backbone interact. energy: -0.084
local terms energy: -63.452392
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -10.313
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -151.133305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.133305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.775143 (E_RNA)
where:
Base-Base interactions energy: -88.685
where: short stacking energy: -48.012
Base-Backbone interact. energy: -0.165
local terms energy: -62.925225
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -8.755
Dist. restrs. and SS energy: 0.642 (S_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: 66
Temperature: 1.250000
Total energy: -139.541099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.541099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.557633 (E_RNA)
where:
Base-Base interactions energy: -82.602
where: short stacking energy: -42.130
Base-Backbone interact. energy: -0.095
local terms energy: -56.860557
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -6.292
tors. eta vs tors. theta energy: -9.986
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -128.804760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.804760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.804760 (E_RNA)
where:
Base-Base interactions energy: -80.562
where: short stacking energy: -45.162
Base-Backbone interact. energy: -0.331
local terms energy: -47.912035
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -16.426
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -2.605
tors. eta vs tors. theta energy: -5.215
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -118.758420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.758420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.971918 (E_RNA)
where:
Base-Base interactions energy: -67.967
where: short stacking energy: -33.501
Base-Backbone interact. energy: -0.647
local terms energy: -50.357871
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -9.771
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -4.018
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -179.101517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.101517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.485859 (E_RNA)
where:
Base-Base interactions energy: -113.141
where: short stacking energy: -61.132
Base-Backbone interact. energy: -0.176
local terms energy: -66.168097
where:
bonds (distance) C4'-P energy: -15.032
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -13.114
Dist. restrs. and SS energy: 0.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -200.697924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.697924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.708997 (E_RNA)
where:
Base-Base interactions energy: -123.251
where: short stacking energy: -68.158
Base-Backbone interact. energy: -0.050
local terms energy: -77.407523
where:
bonds (distance) C4'-P energy: -16.920
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -16.810
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -173.724856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.724856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.728900 (E_RNA)
where:
Base-Base interactions energy: -111.993
where: short stacking energy: -62.386
Base-Backbone interact. energy: -0.031
local terms energy: -61.705326
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -11.829
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -5.959
tors. eta vs tors. theta energy: -14.216
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -146.954991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.954991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.954991 (E_RNA)
where:
Base-Base interactions energy: -87.537
where: short stacking energy: -48.331
Base-Backbone interact. energy: -0.515
local terms energy: -58.902195
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -13.816
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -5.443
tors. eta vs tors. theta energy: -10.071
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -153.706679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.706679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.706679 (E_RNA)
where:
Base-Base interactions energy: -96.073
where: short stacking energy: -48.369
Base-Backbone interact. energy: -0.056
local terms energy: -57.577869
where:
bonds (distance) C4'-P energy: -7.176
bonds (distance) P-C4' energy: -14.763
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -8.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -163.892893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.892893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.153559 (E_RNA)
where:
Base-Base interactions energy: -98.214
where: short stacking energy: -54.699
Base-Backbone interact. energy: -0.137
local terms energy: -65.801853
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -12.816
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -11.983
Dist. restrs. and SS energy: 0.261 (S_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: 67
Temperature: 1.200000
Total energy: -159.732953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.732953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.740190 (E_RNA)
where:
Base-Base interactions energy: -93.933
where: short stacking energy: -56.151
Base-Backbone interact. energy: -0.027
local terms energy: -65.780434
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -12.363
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -137.874917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.874917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.874917 (E_RNA)
where:
Base-Base interactions energy: -74.487
where: short stacking energy: -41.913
Base-Backbone interact. energy: 1.267
local terms energy: -64.654612
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -8.406
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -116.102362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.102362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.198703 (E_RNA)
where:
Base-Base interactions energy: -64.560
where: short stacking energy: -42.935
Base-Backbone interact. energy: 0.155
local terms energy: -51.793637
where:
bonds (distance) C4'-P energy: -9.947
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -18.820
flat angles P-C4'-P energy: -1.425
tors. eta vs tors. theta energy: -6.678
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -119.651680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.651680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.808329 (E_RNA)
where:
Base-Base interactions energy: -70.029
where: short stacking energy: -38.232
Base-Backbone interact. energy: -0.346
local terms energy: -49.432561
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -1.815
tors. eta vs tors. theta energy: -7.619
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -193.888207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.888207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.905526 (E_RNA)
where:
Base-Base interactions energy: -111.394
where: short stacking energy: -67.153
Base-Backbone interact. energy: -0.018
local terms energy: -82.493153
where:
bonds (distance) C4'-P energy: -16.623
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -21.309
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -183.082733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.082733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.158248 (E_RNA)
where:
Base-Base interactions energy: -107.758
where: short stacking energy: -64.799
Base-Backbone interact. energy: -0.003
local terms energy: -75.397244
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -7.256
tors. eta vs tors. theta energy: -20.010
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -181.756070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.756070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.188856 (E_RNA)
where:
Base-Base interactions energy: -109.551
where: short stacking energy: -66.886
Base-Backbone interact. energy: -0.002
local terms energy: -72.636486
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -16.047
Dist. restrs. and SS energy: 0.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -150.543667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.543667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.543667 (E_RNA)
where:
Base-Base interactions energy: -83.689
where: short stacking energy: -49.580
Base-Backbone interact. energy: -0.124
local terms energy: -66.730635
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -8.889
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -156.046887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.046887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.163439 (E_RNA)
where:
Base-Base interactions energy: -90.981
where: short stacking energy: -43.364
Base-Backbone interact. energy: -0.227
local terms energy: -64.955462
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -10.910
Dist. restrs. and SS energy: 0.117 (S_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: 68
Temperature: 1.150000
Total energy: -152.960032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.960032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.960032 (E_RNA)
where:
Base-Base interactions energy: -92.387
where: short stacking energy: -53.411
Base-Backbone interact. energy: 0.199
local terms energy: -60.772842
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -13.948
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: 68
Temperature: 1.200000
Total energy: -142.229179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.229179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.249192 (E_RNA)
where:
Base-Base interactions energy: -75.312
where: short stacking energy: -42.372
Base-Backbone interact. energy: -0.031
local terms energy: -66.906438
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -11.814
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -130.035623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.035623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.120692 (E_RNA)
where:
Base-Base interactions energy: -74.309
where: short stacking energy: -44.894
Base-Backbone interact. energy: -0.166
local terms energy: -55.646321
where:
bonds (distance) C4'-P energy: -10.805
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -6.242
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -134.504105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.504105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.515507 (E_RNA)
where:
Base-Base interactions energy: -69.943
where: short stacking energy: -47.603
Base-Backbone interact. energy: -0.081
local terms energy: -64.491511
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -11.524
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -114.189990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.189990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.260451 (E_RNA)
where:
Base-Base interactions energy: -58.116
where: short stacking energy: -28.532
Base-Backbone interact. energy: -0.599
local terms energy: -55.545504
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -10.486
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -5.206
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -202.253534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.253534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.387974 (E_RNA)
where:
Base-Base interactions energy: -125.087
where: short stacking energy: -68.653
Base-Backbone interact. energy: -0.096
local terms energy: -77.205555
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -15.787
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -195.904270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.904270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.980032 (E_RNA)
where:
Base-Base interactions energy: -123.471
where: short stacking energy: -70.665
Base-Backbone interact. energy: -0.109
local terms energy: -72.400581
where:
bonds (distance) C4'-P energy: -10.399
bonds (distance) P-C4' energy: -17.808
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -16.704
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -175.143817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.143817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.714913 (E_RNA)
where:
Base-Base interactions energy: -102.819
where: short stacking energy: -57.165
Base-Backbone interact. energy: -0.059
local terms energy: -72.837226
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -12.942
tors. eta vs tors. theta energy: -16.113
Dist. restrs. and SS energy: 0.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -178.929234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.929234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.932375 (E_RNA)
where:
Base-Base interactions energy: -106.677
where: short stacking energy: -63.493
Base-Backbone interact. energy: -1.495
local terms energy: -70.760070
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -14.055
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -156.709242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.709242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.709242 (E_RNA)
where:
Base-Base interactions energy: -93.533
where: short stacking energy: -54.803
Base-Backbone interact. energy: -0.122
local terms energy: -63.053603
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -10.610
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -157.568402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.568402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.568402 (E_RNA)
where:
Base-Base interactions energy: -91.262
where: short stacking energy: -54.183
Base-Backbone interact. energy: -0.133
local terms energy: -66.173402
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -10.596
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: 2
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -150.469402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.469402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.481362 (E_RNA)
where:
Base-Base interactions energy: -82.979
where: short stacking energy: -48.392
Base-Backbone interact. energy: -0.293
local terms energy: -67.209421
where:
bonds (distance) C4'-P energy: -9.523
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -11.299
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -128.263188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.263188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.389804 (E_RNA)
where:
Base-Base interactions energy: -69.013
where: short stacking energy: -42.231
Base-Backbone interact. energy: -0.117
local terms energy: -59.260405
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: -10.735
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -116.204537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.204537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.288685 (E_RNA)
where:
Base-Base interactions energy: -60.758
where: short stacking energy: -36.133
Base-Backbone interact. energy: -0.174
local terms energy: -55.356402
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -3.180
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -119.819459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.819459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.840255 (E_RNA)
where:
Base-Base interactions energy: -65.652
where: short stacking energy: -35.892
Base-Backbone interact. energy: -0.239
local terms energy: -53.949592
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -3.583
tors. eta vs tors. theta energy: -8.355
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -200.709972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.709972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.709972 (E_RNA)
where:
Base-Base interactions energy: -125.464
where: short stacking energy: -73.551
Base-Backbone interact. energy: -0.001
local terms energy: -75.244988
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -18.117
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -14.930
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: 2, replica: 8
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -179.900066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.900066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.900066 (E_RNA)
where:
Base-Base interactions energy: -106.265
where: short stacking energy: -60.672
Base-Backbone interact. energy: -0.101
local terms energy: -73.533980
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -17.476
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: 9
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -172.281051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.281051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.300990 (E_RNA)
where:
Base-Base interactions energy: -101.790
where: short stacking energy: -60.912
Base-Backbone interact. energy: -0.138
local terms energy: -70.372830
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -15.309
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -164.882112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.882112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.899039 (E_RNA)
where:
Base-Base interactions energy: -92.075
where: short stacking energy: -50.904
Base-Backbone interact. energy: -0.072
local terms energy: -72.752063
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -13.098
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -164.258664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.258664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.258664 (E_RNA)
where:
Base-Base interactions energy: -98.169
where: short stacking energy: -48.447
Base-Backbone interact. energy: -0.904
local terms energy: -65.185321
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -12.700
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: 5
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -148.282733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.282733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.327135 (E_RNA)
where:
Base-Base interactions energy: -81.338
where: short stacking energy: -46.876
Base-Backbone interact. energy: -0.213
local terms energy: -66.776715
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -9.747
Dist. restrs. and SS energy: 0.044 (S_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: 70
Temperature: 1.200000
Total energy: -149.632495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.632495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.563660 (E_RNA)
where:
Base-Base interactions energy: -97.947
where: short stacking energy: -50.108
Base-Backbone interact. energy: -0.127
local terms energy: -52.489611
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -9.629
flat angles C4'-P-C4' energy: -11.452
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -11.313
Dist. restrs. and SS energy: 0.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -141.089610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.089610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.193472 (E_RNA)
where:
Base-Base interactions energy: -79.693
where: short stacking energy: -39.051
Base-Backbone interact. energy: -0.095
local terms energy: -61.405546
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -5.997
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -125.598362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.598362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.625148 (E_RNA)
where:
Base-Base interactions energy: -66.251
where: short stacking energy: -38.448
Base-Backbone interact. energy: 0.712
local terms energy: -60.086726
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -6.083
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -115.175817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.175817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.309554 (E_RNA)
where:
Base-Base interactions energy: -58.713
where: short stacking energy: -37.932
Base-Backbone interact. energy: -0.080
local terms energy: -56.517340
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -11.103
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -7.545
Dist. restrs. and SS energy: 0.134 (S_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: 71
Temperature: 0.900000
Total energy: -187.501201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.501201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.501201 (E_RNA)
where:
Base-Base interactions energy: -108.103
where: short stacking energy: -70.022
Base-Backbone interact. energy: -0.004
local terms energy: -79.394450
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -15.641
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -205.472247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.472247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.511505 (E_RNA)
where:
Base-Base interactions energy: -122.221
where: short stacking energy: -75.613
Base-Backbone interact. energy: -0.016
local terms energy: -83.274970
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -19.085
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -21.222
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -177.110020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.110020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.286657 (E_RNA)
where:
Base-Base interactions energy: -108.982
where: short stacking energy: -61.269
Base-Backbone interact. energy: -0.196
local terms energy: -68.109466
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -11.826
tors. eta vs tors. theta energy: -14.808
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -164.216436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.216436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.225254 (E_RNA)
where:
Base-Base interactions energy: -89.492
where: short stacking energy: -55.722
Base-Backbone interact. energy: -0.064
local terms energy: -74.669754
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -17.674
Dist. restrs. and SS energy: 0.009 (S_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: 71
Temperature: 1.100000
Total energy: -165.411684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.411684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.505755 (E_RNA)
where:
Base-Base interactions energy: -90.506
where: short stacking energy: -50.642
Base-Backbone interact. energy: -0.014
local terms energy: -74.986268
where:
bonds (distance) C4'-P energy: -14.647
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -14.086
Dist. restrs. and SS energy: 0.094 (S_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: 71
Temperature: 1.150000
Total energy: -155.428611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.428611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.670993 (E_RNA)
where:
Base-Base interactions energy: -93.443
where: short stacking energy: -61.476
Base-Backbone interact. energy: -0.008
local terms energy: -62.219154
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -10.143
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -15.456
Dist. restrs. and SS energy: 0.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -140.021648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.021648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.105495 (E_RNA)
where:
Base-Base interactions energy: -84.834
where: short stacking energy: -45.505
Base-Backbone interact. energy: -0.171
local terms energy: -55.100230
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -10.555
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -6.434
Dist. restrs. and SS energy: 0.084 (S_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: 71
Temperature: 1.250000
Total energy: -120.652354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.652354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.652354 (E_RNA)
where:
Base-Base interactions energy: -68.042
where: short stacking energy: -41.911
Base-Backbone interact. energy: 0.177
local terms energy: -52.788089
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -10.633
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -2.782
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -146.732181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.732181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.732181 (E_RNA)
where:
Base-Base interactions energy: -87.173
where: short stacking energy: -45.674
Base-Backbone interact. energy: -0.168
local terms energy: -59.390999
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -10.749
flat angles C4'-P-C4' energy: -10.481
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -10.437
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -122.602319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.602319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.602319 (E_RNA)
where:
Base-Base interactions energy: -78.297
where: short stacking energy: -41.251
Base-Backbone interact. energy: -0.303
local terms energy: -44.002381
where:
bonds (distance) C4'-P energy: -8.624
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: 0.362
tors. eta vs tors. theta energy: -7.583
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -198.245363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.245363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.299410 (E_RNA)
where:
Base-Base interactions energy: -119.355
where: short stacking energy: -70.044
Base-Backbone interact. energy: -0.005
local terms energy: -78.939864
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: -18.431
Dist. restrs. and SS energy: 0.054 (S_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: 72
Temperature: 0.950000
Total energy: -193.303957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.303957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.303957 (E_RNA)
where:
Base-Base interactions energy: -114.739
where: short stacking energy: -69.841
Base-Backbone interact. energy: -0.001
local terms energy: -78.563523
where:
bonds (distance) C4'-P energy: -17.687
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -16.945
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -177.771990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.771990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.017695 (E_RNA)
where:
Base-Base interactions energy: -110.053
where: short stacking energy: -66.356
Base-Backbone interact. energy: -0.737
local terms energy: -67.228215
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -11.083
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -17.423
Dist. restrs. and SS energy: 0.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -149.501096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.501096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.501096 (E_RNA)
where:
Base-Base interactions energy: -88.565
where: short stacking energy: -48.065
Base-Backbone interact. energy: -0.013
local terms energy: -60.923095
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -5.120
tors. eta vs tors. theta energy: -14.583
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -160.331293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.331293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.635716 (E_RNA)
where:
Base-Base interactions energy: -94.681
where: short stacking energy: -42.499
Base-Backbone interact. energy: -0.255
local terms energy: -66.699392
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -18.965
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -7.446
Dist. restrs. and SS energy: 1.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -158.107319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.107319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.107319 (E_RNA)
where:
Base-Base interactions energy: -91.282
where: short stacking energy: -51.052
Base-Backbone interact. energy: -0.146
local terms energy: -66.679860
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -11.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -147.339668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.339668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.376596 (E_RNA)
where:
Base-Base interactions energy: -77.515
where: short stacking energy: -44.591
Base-Backbone interact. energy: 0.383
local terms energy: -70.244331
where:
bonds (distance) C4'-P energy: -16.270
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -11.127
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -119.669839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.669839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.674819 (E_RNA)
where:
Base-Base interactions energy: -70.010
where: short stacking energy: -34.914
Base-Backbone interact. energy: 0.636
local terms energy: -50.300748
where:
bonds (distance) C4'-P energy: -12.457
bonds (distance) P-C4' energy: -12.688
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -3.044
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -145.666904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.666904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.666904 (E_RNA)
where:
Base-Base interactions energy: -76.830
where: short stacking energy: -33.189
Base-Backbone interact. energy: -0.055
local terms energy: -68.781881
where:
bonds (distance) C4'-P energy: -13.107
bonds (distance) P-C4' energy: -18.813
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -13.401
tors. eta vs tors. theta energy: -10.650
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -113.664159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.664159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.664159 (E_RNA)
where:
Base-Base interactions energy: -66.596
where: short stacking energy: -41.459
Base-Backbone interact. energy: -0.109
local terms energy: -46.959165
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -8.540
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -1.358
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -196.489240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.489240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.689145 (E_RNA)
where:
Base-Base interactions energy: -119.747
where: short stacking energy: -70.813
Base-Backbone interact. energy: -0.006
local terms energy: -76.936295
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -18.165
Dist. restrs. and SS energy: 0.200 (S_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: 73
Temperature: 0.950000
Total energy: -199.662837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.662837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.712234 (E_RNA)
where:
Base-Base interactions energy: -124.440
where: short stacking energy: -78.025
Base-Backbone interact. energy: -0.036
local terms energy: -75.236576
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -18.635
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -173.126304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.126304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.138896 (E_RNA)
where:
Base-Base interactions energy: -102.415
where: short stacking energy: -59.748
Base-Backbone interact. energy: -0.124
local terms energy: -70.600389
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -14.498
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -165.958861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.958861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.888987 (E_RNA)
where:
Base-Base interactions energy: -110.825
where: short stacking energy: -55.919
Base-Backbone interact. energy: -0.438
local terms energy: -55.625450
where:
bonds (distance) C4'-P energy: -10.636
bonds (distance) P-C4' energy: -14.640
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -6.737
tors. eta vs tors. theta energy: -8.337
Dist. restrs. and SS energy: 0.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -159.256038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.256038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.774623 (E_RNA)
where:
Base-Base interactions energy: -97.206
where: short stacking energy: -53.259
Base-Backbone interact. energy: 0.179
local terms energy: -62.747356
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -11.878
Dist. restrs. and SS energy: 0.519 (S_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: 73
Temperature: 1.150000
Total energy: -144.834440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.834440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.837972 (E_RNA)
where:
Base-Base interactions energy: -80.566
where: short stacking energy: -47.631
Base-Backbone interact. energy: -0.124
local terms energy: -64.148268
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -8.456
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -153.345375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.345375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.575075 (E_RNA)
where:
Base-Base interactions energy: -94.092
where: short stacking energy: -55.474
Base-Backbone interact. energy: -0.023
local terms energy: -59.460158
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -9.283
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -14.807
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -143.866216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.866216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.866435 (E_RNA)
where:
Base-Base interactions energy: -79.599
where: short stacking energy: -43.617
Base-Backbone interact. energy: -0.187
local terms energy: -64.080542
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -9.776
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: 9, replica: 5
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -112.539775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.539775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.539775 (E_RNA)
where:
Base-Base interactions energy: -68.453
where: short stacking energy: -35.843
Base-Backbone interact. energy: -0.131
local terms energy: -43.956291
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -10.062
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: -5.287
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: 73
Temperature: 1.350000
Total energy: -134.811181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.811181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.905059 (E_RNA)
where:
Base-Base interactions energy: -71.024
where: short stacking energy: -46.286
Base-Backbone interact. energy: -0.280
local terms energy: -63.601083
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -10.693
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -185.102099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.102099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.360970 (E_RNA)
where:
Base-Base interactions energy: -115.234
where: short stacking energy: -65.218
Base-Backbone interact. energy: -0.171
local terms energy: -69.955884
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -11.279
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -18.574
Dist. restrs. and SS energy: 0.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -194.531523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.531523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.541200 (E_RNA)
where:
Base-Base interactions energy: -110.988
where: short stacking energy: -72.730
Base-Backbone interact. energy: -0.011
local terms energy: -83.541766
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -17.689
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -21.662
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -178.229874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.229874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.248037 (E_RNA)
where:
Base-Base interactions energy: -109.445
where: short stacking energy: -53.584
Base-Backbone interact. energy: -0.034
local terms energy: -69.769322
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -16.683
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -11.019
Dist. restrs. and SS energy: 1.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -160.515469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.515469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.515469 (E_RNA)
where:
Base-Base interactions energy: -95.196
where: short stacking energy: -57.865
Base-Backbone interact. energy: -0.001
local terms energy: -65.318897
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -8.114
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: 5, replica: 10
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -161.427993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.427993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.471885 (E_RNA)
where:
Base-Base interactions energy: -96.768
where: short stacking energy: -59.573
Base-Backbone interact. energy: -0.148
local terms energy: -64.556201
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: -15.025
Dist. restrs. and SS energy: 0.044 (S_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: 74
Temperature: 1.150000
Total energy: -131.384401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.384401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.384401 (E_RNA)
where:
Base-Base interactions energy: -70.336
where: short stacking energy: -39.860
Base-Backbone interact. energy: -0.147
local terms energy: -60.901306
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -7.657
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -144.209786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.209786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.277995 (E_RNA)
where:
Base-Base interactions energy: -83.881
where: short stacking energy: -46.351
Base-Backbone interact. energy: -0.017
local terms energy: -60.379677
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -9.619
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -141.943203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.943203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.943203 (E_RNA)
where:
Base-Base interactions energy: -92.911
where: short stacking energy: -42.236
Base-Backbone interact. energy: -0.225
local terms energy: -48.807478
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -10.147
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: -8.841
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: 4
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -123.337724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.337724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.357163 (E_RNA)
where:
Base-Base interactions energy: -75.359
where: short stacking energy: -38.989
Base-Backbone interact. energy: -0.037
local terms energy: -47.961442
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -11.209
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -2.912
tors. eta vs tors. theta energy: -9.836
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -108.097752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.097752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.181874 (E_RNA)
where:
Base-Base interactions energy: -57.902
where: short stacking energy: -33.554
Base-Backbone interact. energy: -1.205
local terms energy: -49.074366
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -6.608
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -3.865
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -188.615030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.615030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.637345 (E_RNA)
where:
Base-Base interactions energy: -112.355
where: short stacking energy: -63.276
Base-Backbone interact. energy: 0.036
local terms energy: -76.317675
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -17.164
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -197.035080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.035080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.266978 (E_RNA)
where:
Base-Base interactions energy: -117.450
where: short stacking energy: -69.780
Base-Backbone interact. energy: -0.087
local terms energy: -79.729945
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -17.561
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -20.115
Dist. restrs. and SS energy: 0.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -171.491342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.491342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.373201 (E_RNA)
where:
Base-Base interactions energy: -109.691
where: short stacking energy: -48.479
Base-Backbone interact. energy: -0.216
local terms energy: -62.466483
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -5.182
tors. eta vs tors. theta energy: -12.335
Dist. restrs. and SS energy: 0.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -160.997397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.997397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.085931 (E_RNA)
where:
Base-Base interactions energy: -90.918
where: short stacking energy: -54.358
Base-Backbone interact. energy: -1.648
local terms energy: -68.519368
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -10.709
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -15.250
tors. eta vs tors. theta energy: -11.915
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -156.420709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.420709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.420709 (E_RNA)
where:
Base-Base interactions energy: -92.566
where: short stacking energy: -41.760
Base-Backbone interact. energy: -0.174
local terms energy: -63.681270
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -12.043
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: 6, replica: 3
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -161.878318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.878318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.881829 (E_RNA)
where:
Base-Base interactions energy: -99.126
where: short stacking energy: -58.126
Base-Backbone interact. energy: -0.964
local terms energy: -61.791426
where:
bonds (distance) C4'-P energy: -9.331
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -13.203
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -128.969699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.969699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.110466 (E_RNA)
where:
Base-Base interactions energy: -65.579
where: short stacking energy: -36.932
Base-Backbone interact. energy: -0.269
local terms energy: -63.262056
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -6.947
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -147.572707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.572707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.572707 (E_RNA)
where:
Base-Base interactions energy: -84.823
where: short stacking energy: -51.888
Base-Backbone interact. energy: -0.149
local terms energy: -62.601410
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -11.013
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -130.978252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.978252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.978252 (E_RNA)
where:
Base-Base interactions energy: -65.588
where: short stacking energy: -35.731
Base-Backbone interact. energy: -0.102
local terms energy: -65.287719
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -18.191
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -10.679
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: 5
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -122.846304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.846304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.846304 (E_RNA)
where:
Base-Base interactions energy: -70.778
where: short stacking energy: -40.278
Base-Backbone interact. energy: 0.659
local terms energy: -52.727058
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -10.254
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -5.287
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -218.039353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.039353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.126890 (E_RNA)
where:
Base-Base interactions energy: -132.667
where: short stacking energy: -73.156
Base-Backbone interact. energy: -0.129
local terms energy: -85.331323
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -18.278
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -19.815
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -189.114314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.114314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.393514 (E_RNA)
where:
Base-Base interactions energy: -112.024
where: short stacking energy: -66.635
Base-Backbone interact. energy: -0.007
local terms energy: -77.362204
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -18.195
Dist. restrs. and SS energy: 0.279 (S_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: 76
Temperature: 1.000000
Total energy: -164.975573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.975573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.975573 (E_RNA)
where:
Base-Base interactions energy: -100.676
where: short stacking energy: -59.272
Base-Backbone interact. energy: -0.020
local terms energy: -64.279237
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -11.241
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -160.094979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.094979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.724978 (E_RNA)
where:
Base-Base interactions energy: -100.159
where: short stacking energy: -38.636
Base-Backbone interact. energy: -0.383
local terms energy: -60.182701
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -6.418
tors. eta vs tors. theta energy: -8.410
Dist. restrs. and SS energy: 0.630 (S_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: 76
Temperature: 1.100000
Total energy: -151.395761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.395761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.403104 (E_RNA)
where:
Base-Base interactions energy: -85.061
where: short stacking energy: -50.679
Base-Backbone interact. energy: -0.330
local terms energy: -66.012090
where:
bonds (distance) C4'-P energy: -9.601
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -11.356
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -145.578509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.578509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.578509 (E_RNA)
where:
Base-Base interactions energy: -86.566
where: short stacking energy: -43.028
Base-Backbone interact. energy: -0.471
local terms energy: -58.541673
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -17.820
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -3.050
tors. eta vs tors. theta energy: -10.063
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -153.753451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.753451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.849718 (E_RNA)
where:
Base-Base interactions energy: -93.723
where: short stacking energy: -60.032
Base-Backbone interact. energy: -0.188
local terms energy: -59.938377
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -11.042
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -13.486
Dist. restrs. and SS energy: 0.096 (S_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: 76
Temperature: 1.250000
Total energy: -137.629960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.629960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.719759 (E_RNA)
where:
Base-Base interactions energy: -83.573
where: short stacking energy: -48.930
Base-Backbone interact. energy: -0.071
local terms energy: -54.075494
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -16.303
flat angles C4'-P-C4' energy: -8.914
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -8.662
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -136.790881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.790881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.866313 (E_RNA)
where:
Base-Base interactions energy: -85.423
where: short stacking energy: -44.386
Base-Backbone interact. energy: -0.136
local terms energy: -51.308276
where:
bonds (distance) C4'-P energy: -8.902
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -4.760
tors. eta vs tors. theta energy: -9.181
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -112.925013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.925013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.925013 (E_RNA)
where:
Base-Base interactions energy: -58.308
where: short stacking energy: -27.481
Base-Backbone interact. energy: -0.377
local terms energy: -54.239639
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -1.597
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -217.044137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.044137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.124483 (E_RNA)
where:
Base-Base interactions energy: -128.453
where: short stacking energy: -80.371
Base-Backbone interact. energy: -0.014
local terms energy: -88.657812
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -18.545
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -24.412
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. 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: -182.996320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.996320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.174215 (E_RNA)
where:
Base-Base interactions energy: -111.011
where: short stacking energy: -58.652
Base-Backbone interact. energy: -0.389
local terms energy: -71.773785
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -18.540
flat angles P-C4'-P energy: -14.204
tors. eta vs tors. theta energy: -13.111
Dist. restrs. and SS energy: 0.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -171.169857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.169857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.323660 (E_RNA)
where:
Base-Base interactions energy: -102.165
where: short stacking energy: -60.846
Base-Backbone interact. energy: -0.648
local terms energy: -68.511150
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -13.406
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -160.380921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.380921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.178925 (E_RNA)
where:
Base-Base interactions energy: -100.645
where: short stacking energy: -41.589
Base-Backbone interact. energy: -0.478
local terms energy: -60.055833
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -6.929
Dist. restrs. and SS energy: 0.798 (S_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: 77
Temperature: 1.100000
Total energy: -143.416198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.416198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.416198 (E_RNA)
where:
Base-Base interactions energy: -80.207
where: short stacking energy: -42.312
Base-Backbone interact. energy: -0.025
local terms energy: -63.184684
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -11.168
flat angles C4'-P-C4' energy: -20.047
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -6.090
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: 77
Temperature: 1.150000
Total energy: -161.022780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.022780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.334809 (E_RNA)
where:
Base-Base interactions energy: -97.302
where: short stacking energy: -48.671
Base-Backbone interact. energy: -0.881
local terms energy: -63.151653
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -8.419
Dist. restrs. and SS energy: 0.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -151.193771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.193771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.204597 (E_RNA)
where:
Base-Base interactions energy: -85.710
where: short stacking energy: -58.753
Base-Backbone interact. energy: -0.013
local terms energy: -65.481129
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -10.528
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -137.121367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.121367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.121367 (E_RNA)
where:
Base-Base interactions energy: -81.767
where: short stacking energy: -39.770
Base-Backbone interact. energy: -0.769
local terms energy: -54.585663
where:
bonds (distance) C4'-P energy: -13.861
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -5.387
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -142.221059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.221059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.355593 (E_RNA)
where:
Base-Base interactions energy: -86.378
where: short stacking energy: -40.360
Base-Backbone interact. energy: -0.050
local terms energy: -55.927303
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -12.027
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -7.545
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -123.244201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.244201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.268011 (E_RNA)
where:
Base-Base interactions energy: -71.148
where: short stacking energy: -41.605
Base-Backbone interact. energy: -0.015
local terms energy: -52.105118
where:
bonds (distance) C4'-P energy: -9.767
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -10.626
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -8.926
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -203.168907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.168907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.168907 (E_RNA)
where:
Base-Base interactions energy: -126.474
where: short stacking energy: -77.303
Base-Backbone interact. energy: 0.653
local terms energy: -77.348390
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -17.100
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -22.692
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -192.818140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.818140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.820747 (E_RNA)
where:
Base-Base interactions energy: -113.536
where: short stacking energy: -62.143
Base-Backbone interact. energy: -0.118
local terms energy: -79.166187
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -20.280
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -178.586428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.586428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.018341 (E_RNA)
where:
Base-Base interactions energy: -105.086
where: short stacking energy: -60.296
Base-Backbone interact. energy: 0.778
local terms energy: -74.711291
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -17.263
Dist. restrs. and SS energy: 0.432 (S_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: 78
Temperature: 1.050000
Total energy: -165.249326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.249326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.514015 (E_RNA)
where:
Base-Base interactions energy: -96.624
where: short stacking energy: -55.481
Base-Backbone interact. energy: -0.342
local terms energy: -68.547611
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -13.394
Dist. restrs. and SS energy: 0.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -174.956028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.956028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.028532 (E_RNA)
where:
Base-Base interactions energy: -103.213
where: short stacking energy: -56.105
Base-Backbone interact. energy: -0.005
local terms energy: -71.810374
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -15.582
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -128.629466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.629466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.695654 (E_RNA)
where:
Base-Base interactions energy: -70.284
where: short stacking energy: -37.198
Base-Backbone interact. energy: -0.560
local terms energy: -57.850839
where:
bonds (distance) C4'-P energy: -10.326
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -7.850
Dist. restrs. and SS energy: 0.066 (S_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: 78
Temperature: 1.200000
Total energy: -147.552686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.552686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.626257 (E_RNA)
where:
Base-Base interactions energy: -88.375
where: short stacking energy: -47.091
Base-Backbone interact. energy: 0.465
local terms energy: -59.717051
where:
bonds (distance) C4'-P energy: -10.246
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -10.372
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. 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: -142.295865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.295865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.360085 (E_RNA)
where:
Base-Base interactions energy: -82.711
where: short stacking energy: -42.252
Base-Backbone interact. energy: 0.075
local terms energy: -59.724979
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -9.537
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -8.837
Dist. restrs. and SS energy: 0.064 (S_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: -127.006345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.006345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.006345 (E_RNA)
where:
Base-Base interactions energy: -77.048
where: short stacking energy: -35.586
Base-Backbone interact. energy: -0.151
local terms energy: -49.807545
where:
bonds (distance) C4'-P energy: -8.766
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -8.914
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -11.902
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -120.571532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.571532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.560050 (E_RNA)
where:
Base-Base interactions energy: -63.917
where: short stacking energy: -33.801
Base-Backbone interact. energy: -0.086
local terms energy: -57.556941
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -15.781
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -0.574
Dist. restrs. and SS energy: 0.989 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -197.155977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.155977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.401725 (E_RNA)
where:
Base-Base interactions energy: -123.736
where: short stacking energy: -75.611
Base-Backbone interact. energy: -0.743
local terms energy: -72.922374
where:
bonds (distance) C4'-P energy: -9.759
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -19.540
Dist. restrs. and SS energy: 0.246 (S_DIST_RNA)
chem. 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: -193.986362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.986362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.986362 (E_RNA)
where:
Base-Base interactions energy: -120.515
where: short stacking energy: -75.559
Base-Backbone interact. energy: -0.134
local terms energy: -73.337708
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -20.497
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -165.077816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.077816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.596348 (E_RNA)
where:
Base-Base interactions energy: -98.618
where: short stacking energy: -52.897
Base-Backbone interact. energy: -0.087
local terms energy: -66.891897
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -9.521
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -14.856
Dist. restrs. and SS energy: 0.519 (S_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: 79
Temperature: 1.050000
Total energy: -173.470025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.470025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.928693 (E_RNA)
where:
Base-Base interactions energy: -101.111
where: short stacking energy: -60.979
Base-Backbone interact. energy: -0.090
local terms energy: -72.727547
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -14.189
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -18.417
Dist. restrs. and SS energy: 0.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -160.488511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.488511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.149824 (E_RNA)
where:
Base-Base interactions energy: -90.524
where: short stacking energy: -48.857
Base-Backbone interact. energy: -0.149
local terms energy: -70.477173
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -18.362
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -11.992
Dist. restrs. and SS energy: 0.661 (S_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: 79
Temperature: 1.150000
Total energy: -141.065002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.065002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.091731 (E_RNA)
where:
Base-Base interactions energy: -80.454
where: short stacking energy: -40.478
Base-Backbone interact. energy: -0.837
local terms energy: -59.800822
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -5.645
tors. eta vs tors. theta energy: -7.145
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -122.943523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.943523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.943523 (E_RNA)
where:
Base-Base interactions energy: -70.836
where: short stacking energy: -34.181
Base-Backbone interact. energy: -0.119
local terms energy: -51.988796
where:
bonds (distance) C4'-P energy: -12.399
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -7.180
tors. eta vs tors. theta energy: -1.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -127.980068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.980068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.980068 (E_RNA)
where:
Base-Base interactions energy: -66.242
where: short stacking energy: -37.298
Base-Backbone interact. energy: -0.255
local terms energy: -61.482585
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -11.241
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -7.893
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: 8
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -132.452139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.452139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.479488 (E_RNA)
where:
Base-Base interactions energy: -73.861
where: short stacking energy: -33.174
Base-Backbone interact. energy: -0.083
local terms energy: -58.535341
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -17.729
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -3.407
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -122.739258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.739258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.739258 (E_RNA)
where:
Base-Base interactions energy: -75.667
where: short stacking energy: -46.447
Base-Backbone interact. energy: 0.271
local terms energy: -47.344032
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -8.453
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -4.477
tors. eta vs tors. theta energy: -6.941
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: 10
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -196.761401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.761401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.769536 (E_RNA)
where:
Base-Base interactions energy: -116.594
where: short stacking energy: -70.328
Base-Backbone interact. energy: -1.921
local terms energy: -78.254374
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -20.798
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -202.393499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.393499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.393499 (E_RNA)
where:
Base-Base interactions energy: -114.422
where: short stacking energy: -70.723
Base-Backbone interact. energy: -0.470
local terms energy: -87.501160
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -19.311
flat angles C4'-P-C4' energy: -17.725
flat angles P-C4'-P energy: -14.347
tors. eta vs tors. theta energy: -21.089
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -187.176823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.176823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.281576 (E_RNA)
where:
Base-Base interactions energy: -115.450
where: short stacking energy: -64.640
Base-Backbone interact. energy: -0.118
local terms energy: -71.713396
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -20.707
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -164.398862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.398862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.398862 (E_RNA)
where:
Base-Base interactions energy: -96.409
where: short stacking energy: -59.297
Base-Backbone interact. energy: -1.418
local terms energy: -66.572434
where:
bonds (distance) C4'-P energy: -8.901
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -18.048
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -13.270
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: 7
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -161.320055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.320055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.705398 (E_RNA)
where:
Base-Base interactions energy: -97.929
where: short stacking energy: -56.049
Base-Backbone interact. energy: -0.013
local terms energy: -63.763303
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -15.539
Dist. restrs. and SS energy: 0.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -165.255172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.255172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.255172 (E_RNA)
where:
Base-Base interactions energy: -99.875
where: short stacking energy: -55.746
Base-Backbone interact. energy: -0.706
local terms energy: -64.674272
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -18.233
flat angles C4'-P-C4' energy: -10.153
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -12.100
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: 3
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -162.171422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.171422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.518147 (E_RNA)
where:
Base-Base interactions energy: -100.366
where: short stacking energy: -50.102
Base-Backbone interact. energy: -0.258
local terms energy: -61.894098
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -10.358
Dist. restrs. and SS energy: 0.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -124.146580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.146580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.177650 (E_RNA)
where:
Base-Base interactions energy: -64.342
where: short stacking energy: -36.381
Base-Backbone interact. energy: -0.354
local terms energy: -59.481971
where:
bonds (distance) C4'-P energy: -9.047
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -7.675
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -130.929661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.929661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.929661 (E_RNA)
where:
Base-Base interactions energy: -71.314
where: short stacking energy: -37.173
Base-Backbone interact. energy: 0.171
local terms energy: -59.787406
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -6.884
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -126.076790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.076790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.076790 (E_RNA)
where:
Base-Base interactions energy: -72.705
where: short stacking energy: -45.614
Base-Backbone interact. energy: -0.084
local terms energy: -53.287695
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -4.828
tors. eta vs tors. theta energy: -4.303
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -198.140975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.140975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.203637 (E_RNA)
where:
Base-Base interactions energy: -116.269
where: short stacking energy: -73.709
Base-Backbone interact. energy: -0.098
local terms energy: -81.836721
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -19.253
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -21.058
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -176.611229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.611229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.611229 (E_RNA)
where:
Base-Base interactions energy: -105.111
where: short stacking energy: -54.080
Base-Backbone interact. energy: 3.213
local terms energy: -74.713338
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -12.251
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: 3, replica: 9
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -192.646261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.646261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.071596 (E_RNA)
where:
Base-Base interactions energy: -112.941
where: short stacking energy: -63.587
Base-Backbone interact. energy: -0.333
local terms energy: -79.797890
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -20.330
Dist. restrs. and SS energy: 0.425 (S_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: 81
Temperature: 1.050000
Total energy: -169.747377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.747377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.766521 (E_RNA)
where:
Base-Base interactions energy: -101.132
where: short stacking energy: -58.202
Base-Backbone interact. energy: -0.006
local terms energy: -68.628326
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -13.263
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -145.762968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.762968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.762968 (E_RNA)
where:
Base-Base interactions energy: -81.952
where: short stacking energy: -47.253
Base-Backbone interact. energy: -0.102
local terms energy: -63.709174
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -11.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -165.821312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.821312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.824293 (E_RNA)
where:
Base-Base interactions energy: -99.525
where: short stacking energy: -53.187
Base-Backbone interact. energy: -0.244
local terms energy: -66.054766
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -13.729
tors. eta vs tors. theta energy: -8.884
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -145.722891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.722891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.061444 (E_RNA)
where:
Base-Base interactions energy: -85.143
where: short stacking energy: -44.748
Base-Backbone interact. energy: -0.144
local terms energy: -60.775135
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -7.716
Dist. restrs. and SS energy: 0.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -123.567738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.567738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.567738 (E_RNA)
where:
Base-Base interactions energy: -68.744
where: short stacking energy: -34.920
Base-Backbone interact. energy: -0.237
local terms energy: -54.587491
where:
bonds (distance) C4'-P energy: -9.220
bonds (distance) P-C4' energy: -11.773
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -7.137
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -129.203947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.203947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.370900 (E_RNA)
where:
Base-Base interactions energy: -69.693
where: short stacking energy: -36.518
Base-Backbone interact. energy: -0.289
local terms energy: -59.388494
where:
bonds (distance) C4'-P energy: -15.637
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -5.272
Dist. restrs. and SS energy: 0.167 (S_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: 81
Temperature: 1.350000
Total energy: -138.536910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.536910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.536910 (E_RNA)
where:
Base-Base interactions energy: -85.216
where: short stacking energy: -50.526
Base-Backbone interact. energy: -0.017
local terms energy: -53.304319
where:
bonds (distance) C4'-P energy: -10.462
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -10.801
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -10.232
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -198.826590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.826590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.083118 (E_RNA)
where:
Base-Base interactions energy: -117.377
where: short stacking energy: -72.477
Base-Backbone interact. energy: -0.095
local terms energy: -81.610766
where:
bonds (distance) C4'-P energy: -17.066
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -19.945
Dist. restrs. and SS energy: 0.257 (S_DIST_RNA)
chem. 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: -199.007923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.007923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.057569 (E_RNA)
where:
Base-Base interactions energy: -114.755
where: short stacking energy: -69.222
Base-Backbone interact. energy: -0.001
local terms energy: -84.302060
where:
bonds (distance) C4'-P energy: -17.479
bonds (distance) P-C4' energy: -18.412
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -14.437
tors. eta vs tors. theta energy: -19.369
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -179.015768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.015768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.015768 (E_RNA)
where:
Base-Base interactions energy: -115.100
where: short stacking energy: -59.240
Base-Backbone interact. energy: -0.043
local terms energy: -63.871989
where:
bonds (distance) C4'-P energy: -10.341
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -13.065
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: 7
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -172.518246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.518246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.615630 (E_RNA)
where:
Base-Base interactions energy: -96.336
where: short stacking energy: -59.700
Base-Backbone interact. energy: -0.264
local terms energy: -76.015354
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -14.474
tors. eta vs tors. theta energy: -16.920
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -173.027281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.027281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.041347 (E_RNA)
where:
Base-Base interactions energy: -95.944
where: short stacking energy: -56.446
Base-Backbone interact. energy: -0.071
local terms energy: -77.026693
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -14.951
Dist. restrs. and SS energy: 0.014 (S_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: 82
Temperature: 1.150000
Total energy: -152.386450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.386450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.386450 (E_RNA)
where:
Base-Base interactions energy: -87.589
where: short stacking energy: -42.766
Base-Backbone interact. energy: -0.290
local terms energy: -64.507555
where:
bonds (distance) C4'-P energy: -10.636
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -11.104
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: 7, replica: 5
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -126.966991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.966991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.996507 (E_RNA)
where:
Base-Base interactions energy: -65.289
where: short stacking energy: -31.894
Base-Backbone interact. energy: -0.193
local terms energy: -61.514704
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -9.169
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -143.062123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.062123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.285624 (E_RNA)
where:
Base-Base interactions energy: -83.564
where: short stacking energy: -40.969
Base-Backbone interact. energy: -0.006
local terms energy: -59.716447
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -16.280
flat angles P-C4'-P energy: -4.934
tors. eta vs tors. theta energy: -13.541
Dist. restrs. and SS energy: 0.224 (S_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: 82
Temperature: 1.300000
Total energy: -137.681252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.681252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.684501 (E_RNA)
where:
Base-Base interactions energy: -80.740
where: short stacking energy: -48.344
Base-Backbone interact. energy: -0.148
local terms energy: -56.796236
where:
bonds (distance) C4'-P energy: -9.768
bonds (distance) P-C4' energy: -11.430
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -11.764
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -127.514477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.514477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.553924 (E_RNA)
where:
Base-Base interactions energy: -73.964
where: short stacking energy: -37.612
Base-Backbone interact. energy: -0.093
local terms energy: -53.496611
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -11.676
flat angles P-C4'-P energy: -13.963
tors. eta vs tors. theta energy: -2.599
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -196.592187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.592187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.968732 (E_RNA)
where:
Base-Base interactions energy: -120.911
where: short stacking energy: -72.768
Base-Backbone interact. energy: -0.121
local terms energy: -75.936415
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -19.970
Dist. restrs. and SS energy: 0.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -188.007036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.007036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.593219 (E_RNA)
where:
Base-Base interactions energy: -108.671
where: short stacking energy: -57.143
Base-Backbone interact. energy: -2.153
local terms energy: -77.769139
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -19.234
Dist. restrs. and SS energy: 0.586 (S_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: 83
Temperature: 1.000000
Total energy: -187.715334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.715334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.715334 (E_RNA)
where:
Base-Base interactions energy: -113.342
where: short stacking energy: -64.836
Base-Backbone interact. energy: -0.009
local terms energy: -74.364400
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -11.402
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: 4, replica: 7
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -163.822253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.822253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.822253 (E_RNA)
where:
Base-Base interactions energy: -95.191
where: short stacking energy: -56.587
Base-Backbone interact. energy: -0.014
local terms energy: -68.616587
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -11.460
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -13.759
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: 1
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -169.177277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.177277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.190581 (E_RNA)
where:
Base-Base interactions energy: -99.651
where: short stacking energy: -55.292
Base-Backbone interact. energy: 1.459
local terms energy: -70.997834
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -12.905
Dist. restrs. and SS energy: 0.013 (S_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: 83
Temperature: 1.150000
Total energy: -168.861252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.861252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.892742 (E_RNA)
where:
Base-Base interactions energy: -93.666
where: short stacking energy: -56.629
Base-Backbone interact. energy: 1.080
local terms energy: -76.306826
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -18.638
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -158.365390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.365390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.365390 (E_RNA)
where:
Base-Base interactions energy: -99.297
where: short stacking energy: -58.204
Base-Backbone interact. energy: -0.011
local terms energy: -59.057402
where:
bonds (distance) C4'-P energy: -6.604
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -8.987
flat angles P-C4'-P energy: -13.745
tors. eta vs tors. theta energy: -16.502
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -141.036231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.036231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.495655 (E_RNA)
where:
Base-Base interactions energy: -88.761
where: short stacking energy: -46.668
Base-Backbone interact. energy: -0.035
local terms energy: -52.699095
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -8.023
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: -8.036
Dist. restrs. and SS energy: 0.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -132.445070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.445070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.775712 (E_RNA)
where:
Base-Base interactions energy: -75.852
where: short stacking energy: -31.303
Base-Backbone interact. energy: -0.781
local terms energy: -56.142151
where:
bonds (distance) C4'-P energy: -11.339
bonds (distance) P-C4' energy: -16.438
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -8.809
Dist. restrs. and SS energy: 0.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -102.867352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.867352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.882064 (E_RNA)
where:
Base-Base interactions energy: -55.378
where: short stacking energy: -32.057
Base-Backbone interact. energy: -0.377
local terms energy: -47.127006
where:
bonds (distance) C4'-P energy: -7.790
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -7.021
tors. eta vs tors. theta energy: -6.118
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -197.755426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.755426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.972936 (E_RNA)
where:
Base-Base interactions energy: -109.415
where: short stacking energy: -60.085
Base-Backbone interact. energy: -0.069
local terms energy: -88.489254
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -20.075
Dist. restrs. and SS energy: 0.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -188.407429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.407429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.407429 (E_RNA)
where:
Base-Base interactions energy: -117.516
where: short stacking energy: -67.170
Base-Backbone interact. energy: 0.508
local terms energy: -71.399946
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -11.801
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -19.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -176.638192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.638192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.207961 (E_RNA)
where:
Base-Base interactions energy: -106.959
where: short stacking energy: -53.388
Base-Backbone interact. energy: -0.338
local terms energy: -69.910875
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -10.220
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -17.246
Dist. restrs. and SS energy: 0.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -170.484259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.484259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.522231 (E_RNA)
where:
Base-Base interactions energy: -99.983
where: short stacking energy: -59.797
Base-Backbone interact. energy: 0.615
local terms energy: -71.154294
where:
bonds (distance) C4'-P energy: -17.459
bonds (distance) P-C4' energy: -14.487
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -14.369
Dist. restrs. and SS energy: 0.038 (S_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: 84
Temperature: 1.100000
Total energy: -151.420177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.420177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.452917 (E_RNA)
where:
Base-Base interactions energy: -95.643
where: short stacking energy: -50.066
Base-Backbone interact. energy: -0.224
local terms energy: -55.586160
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -4.148
tors. eta vs tors. theta energy: -11.257
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. 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: -158.546567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.546567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.744041 (E_RNA)
where:
Base-Base interactions energy: -87.383
where: short stacking energy: -43.042
Base-Backbone interact. energy: -0.140
local terms energy: -71.220717
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -7.470
Dist. restrs. and SS energy: 0.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -146.405483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.405483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.410631 (E_RNA)
where:
Base-Base interactions energy: -81.729
where: short stacking energy: -47.101
Base-Backbone interact. energy: -0.119
local terms energy: -64.562499
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -14.608
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -6.518
tors. eta vs tors. theta energy: -10.027
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -142.794372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.794372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.859948 (E_RNA)
where:
Base-Base interactions energy: -84.721
where: short stacking energy: -39.129
Base-Backbone interact. energy: 0.464
local terms energy: -58.602239
where:
bonds (distance) C4'-P energy: -10.429
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -11.325
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -12.120
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -133.388963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.388963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.388963 (E_RNA)
where:
Base-Base interactions energy: -72.761
where: short stacking energy: -38.700
Base-Backbone interact. energy: -0.944
local terms energy: -59.684154
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -4.997
tors. eta vs tors. theta energy: -6.859
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -120.424025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.424025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.425091 (E_RNA)
where:
Base-Base interactions energy: -67.297
where: short stacking energy: -36.538
Base-Backbone interact. energy: -0.665
local terms energy: -52.462324
where:
bonds (distance) C4'-P energy: -7.260
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -7.156
tors. eta vs tors. theta energy: -6.362
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -205.901367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.901367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.901367 (E_RNA)
where:
Base-Base interactions energy: -128.191
where: short stacking energy: -72.793
Base-Backbone interact. energy: -0.084
local terms energy: -77.626016
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -13.348
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: 2, replica: 2
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -190.031547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.031547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.280285 (E_RNA)
where:
Base-Base interactions energy: -107.679
where: short stacking energy: -58.771
Base-Backbone interact. energy: -0.053
local terms energy: -82.548084
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -18.981
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: -19.073
Dist. restrs. and SS energy: 0.249 (S_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: 85
Temperature: 1.000000
Total energy: -186.904548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.904548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.034500 (E_RNA)
where:
Base-Base interactions energy: -109.241
where: short stacking energy: -64.572
Base-Backbone interact. energy: -0.028
local terms energy: -77.765845
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -17.408
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -178.974854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.974854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.135068 (E_RNA)
where:
Base-Base interactions energy: -116.994
where: short stacking energy: -66.051
Base-Backbone interact. energy: -0.111
local terms energy: -62.030268
where:
bonds (distance) C4'-P energy: -9.650
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -12.616
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -159.958771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.958771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.981024 (E_RNA)
where:
Base-Base interactions energy: -100.075
where: short stacking energy: -45.296
Base-Backbone interact. energy: -0.232
local terms energy: -59.674084
where:
bonds (distance) C4'-P energy: -8.801
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -11.520
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. 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: -160.063630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.063630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.120106 (E_RNA)
where:
Base-Base interactions energy: -97.194
where: short stacking energy: -46.337
Base-Backbone interact. energy: 1.922
local terms energy: -64.848386
where:
bonds (distance) C4'-P energy: -12.167
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -10.976
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -154.544478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.544478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.787721 (E_RNA)
where:
Base-Base interactions energy: -88.952
where: short stacking energy: -46.016
Base-Backbone interact. energy: 1.311
local terms energy: -67.146244
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -10.272
Dist. restrs. and SS energy: 0.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -148.818752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.818752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.192023 (E_RNA)
where:
Base-Base interactions energy: -97.307
where: short stacking energy: -47.197
Base-Backbone interact. energy: -0.063
local terms energy: -51.821627
where:
bonds (distance) C4'-P energy: -9.845
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -8.359
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -11.543
Dist. restrs. and SS energy: 0.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -116.571397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.571397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.571397 (E_RNA)
where:
Base-Base interactions energy: -74.394
where: short stacking energy: -32.267
Base-Backbone interact. energy: -0.089
local terms energy: -42.088493
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -9.732
flat angles C4'-P-C4' energy: -4.894
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -1.830
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -129.020187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.020187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.063640 (E_RNA)
where:
Base-Base interactions energy: -71.469
where: short stacking energy: -36.754
Base-Backbone interact. energy: -0.302
local terms energy: -57.292142
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -11.394
flat angles C4'-P-C4' energy: -10.892
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -9.891
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -187.937336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.937336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.937336 (E_RNA)
where:
Base-Base interactions energy: -116.613
where: short stacking energy: -58.886
Base-Backbone interact. energy: -0.887
local terms energy: -70.437142
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -14.073
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -14.243
tors. eta vs tors. theta energy: -14.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -197.550851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.550851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.718750 (E_RNA)
where:
Base-Base interactions energy: -126.556
where: short stacking energy: -75.114
Base-Backbone interact. energy: -0.004
local terms energy: -71.158325
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -20.588
Dist. restrs. and SS energy: 0.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -178.810254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.810254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.372726 (E_RNA)
where:
Base-Base interactions energy: -112.638
where: short stacking energy: -52.769
Base-Backbone interact. energy: -0.484
local terms energy: -66.250467
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -17.866
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -13.300
Dist. restrs. and SS energy: 0.562 (S_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: 86
Temperature: 1.050000
Total energy: -183.608598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.608598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.678975 (E_RNA)
where:
Base-Base interactions energy: -113.020
where: short stacking energy: -59.935
Base-Backbone interact. energy: -0.029
local terms energy: -70.630152
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -17.357
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -154.174148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.174148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.322565 (E_RNA)
where:
Base-Base interactions energy: -93.212
where: short stacking energy: -40.282
Base-Backbone interact. energy: -0.356
local terms energy: -60.755295
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -11.875
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -11.131
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -155.220646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.220646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.220646 (E_RNA)
where:
Base-Base interactions energy: -94.668
where: short stacking energy: -53.653
Base-Backbone interact. energy: -0.139
local terms energy: -60.413663
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -11.515
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -161.325998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.325998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.325998 (E_RNA)
where:
Base-Base interactions energy: -96.246
where: short stacking energy: -54.166
Base-Backbone interact. energy: -0.332
local terms energy: -64.748114
where:
bonds (distance) C4'-P energy: -14.523
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -12.060
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -9.936
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: 86
Temperature: 1.250000
Total energy: -148.333466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.333466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.356719 (E_RNA)
where:
Base-Base interactions energy: -84.019
where: short stacking energy: -52.717
Base-Backbone interact. energy: -0.023
local terms energy: -64.315134
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -12.729
Dist. restrs. and SS energy: 0.023 (S_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: -128.057012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.057012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.057012 (E_RNA)
where:
Base-Base interactions energy: -71.132
where: short stacking energy: -32.557
Base-Backbone interact. energy: -0.242
local terms energy: -56.682594
where:
bonds (distance) C4'-P energy: -13.389
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -6.535
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -108.729399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.729399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.884271 (E_RNA)
where:
Base-Base interactions energy: -55.739
where: short stacking energy: -27.191
Base-Backbone interact. energy: -0.531
local terms energy: -52.614441
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -0.437
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -190.867586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.867586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.029104 (E_RNA)
where:
Base-Base interactions energy: -120.497
where: short stacking energy: -62.396
Base-Backbone interact. energy: -0.003
local terms energy: -70.529304
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -15.529
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -197.277371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.277371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.352191 (E_RNA)
where:
Base-Base interactions energy: -118.946
where: short stacking energy: -69.789
Base-Backbone interact. energy: -0.091
local terms energy: -78.315585
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -20.828
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -180.567789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.567789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.596439 (E_RNA)
where:
Base-Base interactions energy: -105.565
where: short stacking energy: -62.741
Base-Backbone interact. energy: -0.102
local terms energy: -74.928638
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -17.897
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -163.256217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.256217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.322980 (E_RNA)
where:
Base-Base interactions energy: -94.112
where: short stacking energy: -55.824
Base-Backbone interact. energy: -0.141
local terms energy: -69.070425
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -17.354
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -11.532
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -155.599959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.599959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.599959 (E_RNA)
where:
Base-Base interactions energy: -86.006
where: short stacking energy: -50.267
Base-Backbone interact. energy: 0.681
local terms energy: -70.275698
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -10.985
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -16.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -143.197818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.197818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.229324 (E_RNA)
where:
Base-Base interactions energy: -77.614
where: short stacking energy: -41.198
Base-Backbone interact. energy: 0.500
local terms energy: -66.115553
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -9.628
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -163.105190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.105190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.105190 (E_RNA)
where:
Base-Base interactions energy: -96.512
where: short stacking energy: -58.791
Base-Backbone interact. energy: -0.769
local terms energy: -65.825081
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -8.618
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -137.537869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.537869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.537869 (E_RNA)
where:
Base-Base interactions energy: -79.726
where: short stacking energy: -36.355
Base-Backbone interact. energy: 1.055
local terms energy: -58.867024
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -5.109
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -136.960929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.960929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.960929 (E_RNA)
where:
Base-Base interactions energy: -85.198
where: short stacking energy: -46.516
Base-Backbone interact. energy: -1.812
local terms energy: -49.950760
where:
bonds (distance) C4'-P energy: -9.659
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -10.399
flat angles P-C4'-P energy: -4.280
tors. eta vs tors. theta energy: -12.108
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: 5
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -113.262285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.262285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.323053 (E_RNA)
where:
Base-Base interactions energy: -55.520
where: short stacking energy: -30.632
Base-Backbone interact. energy: -0.727
local terms energy: -57.075487
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -2.556
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -200.040741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.040741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.782957 (E_RNA)
where:
Base-Base interactions energy: -120.341
where: short stacking energy: -68.946
Base-Backbone interact. energy: -0.461
local terms energy: -79.981144
where:
bonds (distance) C4'-P energy: -17.807
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -16.844
Dist. restrs. and SS energy: 0.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -181.395394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.395394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.850351 (E_RNA)
where:
Base-Base interactions energy: -108.735
where: short stacking energy: -56.650
Base-Backbone interact. energy: -1.083
local terms energy: -72.032232
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -13.648
Dist. restrs. and SS energy: 0.455 (S_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: 88
Temperature: 1.000000
Total energy: -196.525213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.525213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.803671 (E_RNA)
where:
Base-Base interactions energy: -120.297
where: short stacking energy: -67.364
Base-Backbone interact. energy: -0.010
local terms energy: -76.496082
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -21.910
Dist. restrs. and SS energy: 0.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -162.943217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.943217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.197490 (E_RNA)
where:
Base-Base interactions energy: -94.597
where: short stacking energy: -47.642
Base-Backbone interact. energy: 0.419
local terms energy: -69.019088
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -11.377
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -163.333204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.333204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.333204 (E_RNA)
where:
Base-Base interactions energy: -101.671
where: short stacking energy: -58.545
Base-Backbone interact. energy: -0.058
local terms energy: -61.604001
where:
bonds (distance) C4'-P energy: -11.153
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -3.522
tors. eta vs tors. theta energy: -14.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -158.583920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.583920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.583920 (E_RNA)
where:
Base-Base interactions energy: -93.105
where: short stacking energy: -55.276
Base-Backbone interact. energy: -0.002
local terms energy: -65.477455
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -4.031
tors. eta vs tors. theta energy: -16.624
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: 4
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -150.110776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.110776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.110776 (E_RNA)
where:
Base-Base interactions energy: -88.678
where: short stacking energy: -51.166
Base-Backbone interact. energy: -0.605
local terms energy: -60.827541
where:
bonds (distance) C4'-P energy: -17.935
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -5.873
tors. eta vs tors. theta energy: -13.114
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: 10
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -144.165099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.165099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.235565 (E_RNA)
where:
Base-Base interactions energy: -78.484
where: short stacking energy: -39.513
Base-Backbone interact. energy: 0.287
local terms energy: -66.038674
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -7.533
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -123.945240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.945240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.945240 (E_RNA)
where:
Base-Base interactions energy: -71.010
where: short stacking energy: -45.156
Base-Backbone interact. energy: 0.494
local terms energy: -53.429026
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -10.042
flat angles P-C4'-P energy: -6.801
tors. eta vs tors. theta energy: -9.259
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -126.261728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.261728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.583588 (E_RNA)
where:
Base-Base interactions energy: -74.926
where: short stacking energy: -40.315
Base-Backbone interact. energy: -0.113
local terms energy: -51.544558
where:
bonds (distance) C4'-P energy: -10.929
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -4.124
Dist. restrs. and SS energy: 0.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -194.540761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.540761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.708604 (E_RNA)
where:
Base-Base interactions energy: -115.739
where: short stacking energy: -68.468
Base-Backbone interact. energy: 0.022
local terms energy: -78.991026
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -17.686
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -21.785
Dist. restrs. and SS energy: 0.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -200.938458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.938458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.974082 (E_RNA)
where:
Base-Base interactions energy: -124.735
where: short stacking energy: -73.472
Base-Backbone interact. energy: -0.002
local terms energy: -76.236916
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -19.689
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -186.226775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.226775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.250927 (E_RNA)
where:
Base-Base interactions energy: -115.406
where: short stacking energy: -64.505
Base-Backbone interact. energy: -0.901
local terms energy: -69.943749
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -11.380
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: -12.360
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -153.437676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.437676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.686208 (E_RNA)
where:
Base-Base interactions energy: -80.440
where: short stacking energy: -51.528
Base-Backbone interact. energy: 0.339
local terms energy: -73.584516
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -12.744
Dist. restrs. and SS energy: 0.249 (S_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: 89
Temperature: 1.100000
Total energy: -151.178524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.178524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.423827 (E_RNA)
where:
Base-Base interactions energy: -92.458
where: short stacking energy: -42.188
Base-Backbone interact. energy: -0.025
local terms energy: -58.941665
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -6.542
tors. eta vs tors. theta energy: -5.928
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -143.133148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.133148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.201130 (E_RNA)
where:
Base-Base interactions energy: -87.649
where: short stacking energy: -42.147
Base-Backbone interact. energy: -0.109
local terms energy: -55.443311
where:
bonds (distance) C4'-P energy: -10.983
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -2.851
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -137.828294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.828294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.208762 (E_RNA)
where:
Base-Base interactions energy: -75.932
where: short stacking energy: -34.776
Base-Backbone interact. energy: 0.155
local terms energy: -62.431508
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -5.977
Dist. restrs. and SS energy: 0.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -151.658652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.658652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.658652 (E_RNA)
where:
Base-Base interactions energy: -94.744
where: short stacking energy: -54.544
Base-Backbone interact. energy: -0.065
local terms energy: -56.849424
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -11.544
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -5.969
tors. eta vs tors. theta energy: -11.351
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: 9, replica: 5
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -139.923334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.923334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.979245 (E_RNA)
where:
Base-Base interactions energy: -90.018
where: short stacking energy: -45.940
Base-Backbone interact. energy: -0.196
local terms energy: -49.764942
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -10.314
flat angles C4'-P-C4' energy: -8.835
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -10.603
Dist. restrs. and SS energy: 0.056 (S_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: 89
Temperature: 1.350000
Total energy: -132.306627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.306627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.347996 (E_RNA)
where:
Base-Base interactions energy: -86.015
where: short stacking energy: -41.862
Base-Backbone interact. energy: -0.182
local terms energy: -46.150687
where:
bonds (distance) C4'-P energy: -8.441
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -10.345
flat angles P-C4'-P energy: -6.805
tors. eta vs tors. theta energy: -6.470
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -187.401359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.401359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.570489 (E_RNA)
where:
Base-Base interactions energy: -111.420
where: short stacking energy: -62.849
Base-Backbone interact. energy: -0.061
local terms energy: -76.088973
where:
bonds (distance) C4'-P energy: -16.884
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -18.218
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -15.136
Dist. restrs. and SS energy: 0.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -191.847274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.847274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.092878 (E_RNA)
where:
Base-Base interactions energy: -119.222
where: short stacking energy: -70.165
Base-Backbone interact. energy: -0.025
local terms energy: -72.845657
where:
bonds (distance) C4'-P energy: -16.287
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -14.154
Dist. restrs. and SS energy: 0.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -187.720058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.720058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.727954 (E_RNA)
where:
Base-Base interactions energy: -118.982
where: short stacking energy: -65.011
Base-Backbone interact. energy: -0.008
local terms energy: -68.737749
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -15.343
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -181.659808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.659808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.776272 (E_RNA)
where:
Base-Base interactions energy: -108.257
where: short stacking energy: -56.370
Base-Backbone interact. energy: -0.027
local terms energy: -73.492545
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -16.105
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -19.067
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -156.351090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.351090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.469364 (E_RNA)
where:
Base-Base interactions energy: -94.617
where: short stacking energy: -50.707
Base-Backbone interact. energy: -0.020
local terms energy: -61.831939
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -11.317
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -11.177
Dist. restrs. and SS energy: 0.118 (S_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: 90
Temperature: 1.150000
Total energy: -153.486151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.486151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.486151 (E_RNA)
where:
Base-Base interactions energy: -94.398
where: short stacking energy: -49.121
Base-Backbone interact. energy: -0.015
local terms energy: -59.073943
where:
bonds (distance) C4'-P energy: -9.750
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -9.750
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: 7, replica: 10
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -150.179358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.179358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.196429 (E_RNA)
where:
Base-Base interactions energy: -93.878
where: short stacking energy: -49.935
Base-Backbone interact. energy: -0.263
local terms energy: -56.055326
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -4.269
tors. eta vs tors. theta energy: -7.551
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -150.192735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.192735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.340283 (E_RNA)
where:
Base-Base interactions energy: -83.008
where: short stacking energy: -46.049
Base-Backbone interact. energy: -0.054
local terms energy: -67.278537
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: -10.274
Dist. restrs. and SS energy: 0.148 (S_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: 90
Temperature: 1.300000
Total energy: -121.296676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.296676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.349368 (E_RNA)
where:
Base-Base interactions energy: -66.890
where: short stacking energy: -38.011
Base-Backbone interact. energy: -0.504
local terms energy: -53.955746
where:
bonds (distance) C4'-P energy: -17.397
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -7.646
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -3.172
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -153.343439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.343439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.358063 (E_RNA)
where:
Base-Base interactions energy: -90.226
where: short stacking energy: -47.366
Base-Backbone interact. energy: -0.858
local terms energy: -62.274273
where:
bonds (distance) C4'-P energy: -9.270
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -10.924
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -185.293374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.293374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.328399 (E_RNA)
where:
Base-Base interactions energy: -107.227
where: short stacking energy: -60.079
Base-Backbone interact. energy: -0.002
local terms energy: -78.099422
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -18.838
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -189.585916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.585916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.863012 (E_RNA)
where:
Base-Base interactions energy: -116.999
where: short stacking energy: -64.131
Base-Backbone interact. energy: -0.694
local terms energy: -72.169348
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -5.697
tors. eta vs tors. theta energy: -17.327
Dist. restrs. and SS energy: 0.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -185.519000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.519000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.547111 (E_RNA)
where:
Base-Base interactions energy: -112.475
where: short stacking energy: -59.447
Base-Backbone interact. energy: -0.019
local terms energy: -73.053737
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -17.599
Dist. restrs. and SS energy: 0.028 (S_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: 91
Temperature: 1.050000
Total energy: -167.050538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.050538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.867476 (E_RNA)
where:
Base-Base interactions energy: -92.857
where: short stacking energy: -55.032
Base-Backbone interact. energy: -0.021
local terms energy: -74.990260
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -14.116
tors. eta vs tors. theta energy: -16.959
Dist. restrs. and SS energy: 0.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -162.281604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.281604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.281604 (E_RNA)
where:
Base-Base interactions energy: -99.418
where: short stacking energy: -64.727
Base-Backbone interact. energy: -0.009
local terms energy: -62.854847
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -5.101
tors. eta vs tors. theta energy: -16.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -149.841293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.841293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.324598 (E_RNA)
where:
Base-Base interactions energy: -82.576
where: short stacking energy: -44.823
Base-Backbone interact. energy: -0.323
local terms energy: -67.425410
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -11.542
Dist. restrs. and SS energy: 0.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -151.270324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.270324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.270732 (E_RNA)
where:
Base-Base interactions energy: -89.197
where: short stacking energy: -48.321
Base-Backbone interact. energy: -0.130
local terms energy: -61.943498
where:
bonds (distance) C4'-P energy: -14.763
bonds (distance) P-C4' energy: -10.476
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -10.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -151.671511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.671511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.732621 (E_RNA)
where:
Base-Base interactions energy: -89.262
where: short stacking energy: -48.706
Base-Backbone interact. energy: -0.131
local terms energy: -62.339486
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -9.747
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: -16.415
Dist. restrs. and SS energy: 0.061 (S_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: 91
Temperature: 1.300000
Total energy: -135.368907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.368907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.368907 (E_RNA)
where:
Base-Base interactions energy: -80.052
where: short stacking energy: -35.990
Base-Backbone interact. energy: -0.287
local terms energy: -55.029903
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -6.063
tors. eta vs tors. theta energy: -6.013
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -118.953652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.953652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.781649 (E_RNA)
where:
Base-Base interactions energy: -70.625
where: short stacking energy: -35.565
Base-Backbone interact. energy: -0.144
local terms energy: -49.012512
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -11.347
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -1.415
Dist. restrs. and SS energy: 0.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -203.541272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.541272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.877490 (E_RNA)
where:
Base-Base interactions energy: -128.234
where: short stacking energy: -74.579
Base-Backbone interact. energy: -0.023
local terms energy: -75.621271
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -14.183
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -19.052
Dist. restrs. and SS energy: 0.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -184.159904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.159904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.163669 (E_RNA)
where:
Base-Base interactions energy: -111.627
where: short stacking energy: -64.084
Base-Backbone interact. energy: -0.002
local terms energy: -72.534318
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -15.901
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -180.661444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.661444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.661444 (E_RNA)
where:
Base-Base interactions energy: -103.467
where: short stacking energy: -61.985
Base-Backbone interact. energy: -0.058
local terms energy: -77.135932
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -15.577
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: 4
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -166.199412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.199412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.199412 (E_RNA)
where:
Base-Base interactions energy: -93.652
where: short stacking energy: -56.575
Base-Backbone interact. energy: 1.476
local terms energy: -74.023455
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -17.719
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -14.265
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -162.927781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.927781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.959045 (E_RNA)
where:
Base-Base interactions energy: -98.108
where: short stacking energy: -57.654
Base-Backbone interact. energy: -0.055
local terms energy: -64.796555
where:
bonds (distance) C4'-P energy: -12.015
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -18.707
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -10.777
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. 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: -145.797245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.797245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.817935 (E_RNA)
where:
Base-Base interactions energy: -86.078
where: short stacking energy: -43.796
Base-Backbone interact. energy: -0.155
local terms energy: -59.584852
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -10.878
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -7.155
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -144.840610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.840610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.869009 (E_RNA)
where:
Base-Base interactions energy: -84.146
where: short stacking energy: -44.911
Base-Backbone interact. energy: -0.064
local terms energy: -60.658625
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -6.740
tors. eta vs tors. theta energy: -11.376
Dist. restrs. and SS energy: 0.028 (S_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: 92
Temperature: 1.250000
Total energy: -141.645656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.645656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.792839 (E_RNA)
where:
Base-Base interactions energy: -91.847
where: short stacking energy: -49.002
Base-Backbone interact. energy: -0.014
local terms energy: -49.931797
where:
bonds (distance) C4'-P energy: -10.077
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -10.055
flat angles P-C4'-P energy: -7.274
tors. eta vs tors. theta energy: -9.515
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -116.419297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.419297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.810138 (E_RNA)
where:
Base-Base interactions energy: -63.453
where: short stacking energy: -30.803
Base-Backbone interact. energy: -0.203
local terms energy: -53.154912
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -0.804
Dist. restrs. and SS energy: 0.391 (S_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: 92
Temperature: 1.350000
Total energy: -105.387204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.387204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.519760 (E_RNA)
where:
Base-Base interactions energy: -56.477
where: short stacking energy: -29.018
Base-Backbone interact. energy: -0.696
local terms energy: -48.346944
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -10.088
flat angles P-C4'-P energy: -6.008
tors. eta vs tors. theta energy: -1.405
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -188.233441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.233441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.426774 (E_RNA)
where:
Base-Base interactions energy: -117.477
where: short stacking energy: -65.559
Base-Backbone interact. energy: 0.166
local terms energy: -71.116038
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -18.411
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -191.343348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.343348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.390986 (E_RNA)
where:
Base-Base interactions energy: -114.335
where: short stacking energy: -67.483
Base-Backbone interact. energy: -0.040
local terms energy: -77.016144
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -16.484
Dist. restrs. and SS energy: 0.048 (S_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: 93
Temperature: 1.000000
Total energy: -169.839306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.839306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.446488 (E_RNA)
where:
Base-Base interactions energy: -94.305
where: short stacking energy: -58.320
Base-Backbone interact. energy: -0.068
local terms energy: -76.072704
where:
bonds (distance) C4'-P energy: -17.211
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -13.900
Dist. restrs. and SS energy: 0.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -173.132309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.132309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.175184 (E_RNA)
where:
Base-Base interactions energy: -102.355
where: short stacking energy: -59.873
Base-Backbone interact. energy: -0.022
local terms energy: -70.797901
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -12.404
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -159.926159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.926159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.509851 (E_RNA)
where:
Base-Base interactions energy: -99.211
where: short stacking energy: -49.352
Base-Backbone interact. energy: 0.653
local terms energy: -61.952238
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -12.404
Dist. restrs. and SS energy: 0.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -153.723996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.723996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.723996 (E_RNA)
where:
Base-Base interactions energy: -81.575
where: short stacking energy: -36.047
Base-Backbone interact. energy: -0.126
local terms energy: -72.022954
where:
bonds (distance) C4'-P energy: -17.036
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -8.124
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: 1
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -161.374097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.374097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.442904 (E_RNA)
where:
Base-Base interactions energy: -99.214
where: short stacking energy: -52.036
Base-Backbone interact. energy: -0.140
local terms energy: -62.088478
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -9.923
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -16.507
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -144.096022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.096022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.491862 (E_RNA)
where:
Base-Base interactions energy: -87.393
where: short stacking energy: -40.833
Base-Backbone interact. energy: -0.323
local terms energy: -56.775887
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -3.470
tors. eta vs tors. theta energy: -12.399
Dist. restrs. and SS energy: 0.396 (S_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: 93
Temperature: 1.300000
Total energy: -141.771505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.771505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.841937 (E_RNA)
where:
Base-Base interactions energy: -87.084
where: short stacking energy: -50.769
Base-Backbone interact. energy: -0.056
local terms energy: -54.702337
where:
bonds (distance) C4'-P energy: -9.431
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -8.820
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -14.460
Dist. restrs. and SS energy: 0.070 (S_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: 93
Temperature: 1.350000
Total energy: -117.327392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.327392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.327392 (E_RNA)
where:
Base-Base interactions energy: -62.928
where: short stacking energy: -30.105
Base-Backbone interact. energy: -0.562
local terms energy: -53.837719
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -10.298
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -2.286
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: 9
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -197.674658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.674658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.674658 (E_RNA)
where:
Base-Base interactions energy: -121.916
where: short stacking energy: -74.549
Base-Backbone interact. energy: -0.025
local terms energy: -75.734157
where:
bonds (distance) C4'-P energy: -14.022
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -17.375
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -182.959226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.959226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.212265 (E_RNA)
where:
Base-Base interactions energy: -104.499
where: short stacking energy: -61.273
Base-Backbone interact. energy: 0.075
local terms energy: -78.788099
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -17.692
Dist. restrs. and SS energy: 0.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -167.050577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.050577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.050577 (E_RNA)
where:
Base-Base interactions energy: -97.273
where: short stacking energy: -53.349
Base-Backbone interact. energy: -0.404
local terms energy: -69.373380
where:
bonds (distance) C4'-P energy: -10.614
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -13.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -180.005033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.005033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.151822 (E_RNA)
where:
Base-Base interactions energy: -101.742
where: short stacking energy: -56.193
Base-Backbone interact. energy: -0.107
local terms energy: -78.302673
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -13.768
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. 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: -150.614134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.614134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.614134 (E_RNA)
where:
Base-Base interactions energy: -84.393
where: short stacking energy: -53.957
Base-Backbone interact. energy: -0.103
local terms energy: -66.117577
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -5.755
tors. eta vs tors. theta energy: -11.159
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: 4
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -154.393591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.393591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.682871 (E_RNA)
where:
Base-Base interactions energy: -88.129
where: short stacking energy: -51.447
Base-Backbone interact. energy: -0.021
local terms energy: -66.533525
where:
bonds (distance) C4'-P energy: -10.079
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -14.664
Dist. restrs. and SS energy: 0.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -146.135793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.135793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.176769 (E_RNA)
where:
Base-Base interactions energy: -81.954
where: short stacking energy: -49.450
Base-Backbone interact. energy: -0.101
local terms energy: -64.122302
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -10.570
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -130.535362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.535362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.543267 (E_RNA)
where:
Base-Base interactions energy: -73.778
where: short stacking energy: -43.636
Base-Backbone interact. energy: -0.033
local terms energy: -56.732537
where:
bonds (distance) C4'-P energy: -10.586
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -4.538
tors. eta vs tors. theta energy: -12.739
Dist. restrs. and SS energy: 0.008 (S_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: 94
Temperature: 1.300000
Total energy: -141.616738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.616738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.719472 (E_RNA)
where:
Base-Base interactions energy: -79.595
where: short stacking energy: -46.901
Base-Backbone interact. energy: -0.011
local terms energy: -62.113585
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -8.014
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -11.818
Dist. restrs. and SS energy: 0.103 (S_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: 94
Temperature: 1.350000
Total energy: -125.035892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.035892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.600701 (E_RNA)
where:
Base-Base interactions energy: -73.430
where: short stacking energy: -40.419
Base-Backbone interact. energy: -0.464
local terms energy: -53.706723
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -4.468
tors. eta vs tors. theta energy: -7.370
Dist. restrs. and SS energy: 2.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -189.807548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.807548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.110616 (E_RNA)
where:
Base-Base interactions energy: -116.922
where: short stacking energy: -64.385
Base-Backbone interact. energy: -0.012
local terms energy: -73.176338
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -12.063
tors. eta vs tors. theta energy: -15.033
Dist. restrs. and SS energy: 0.303 (S_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: 95
Temperature: 0.950000
Total energy: -198.163737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.163737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.460900 (E_RNA)
where:
Base-Base interactions energy: -111.563
where: short stacking energy: -65.475
Base-Backbone interact. energy: -0.028
local terms energy: -86.869907
where:
bonds (distance) C4'-P energy: -17.106
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -21.934
Dist. restrs. and SS energy: 0.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -185.921524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.921524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.932161 (E_RNA)
where:
Base-Base interactions energy: -111.547
where: short stacking energy: -60.111
Base-Backbone interact. energy: -0.804
local terms energy: -73.580978
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -18.067
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -14.055
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -165.534215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.534215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.551550 (E_RNA)
where:
Base-Base interactions energy: -104.370
where: short stacking energy: -61.683
Base-Backbone interact. energy: -0.003
local terms energy: -61.178495
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -9.031
Dist. restrs. and SS energy: 0.017 (S_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: 95
Temperature: 1.100000
Total energy: -155.158826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.158826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.158826 (E_RNA)
where:
Base-Base interactions energy: -82.666
where: short stacking energy: -45.501
Base-Backbone interact. energy: -0.135
local terms energy: -72.357569
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -17.293
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -11.805
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -143.097471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.097471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.218797 (E_RNA)
where:
Base-Base interactions energy: -80.793
where: short stacking energy: -42.546
Base-Backbone interact. energy: -0.208
local terms energy: -62.217702
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -10.923
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -9.494
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -140.105382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.105382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.107716 (E_RNA)
where:
Base-Base interactions energy: -81.108
where: short stacking energy: -48.439
Base-Backbone interact. energy: -0.079
local terms energy: -58.920657
where:
bonds (distance) C4'-P energy: -9.025
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -10.407
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -145.257011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.257011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.320339 (E_RNA)
where:
Base-Base interactions energy: -81.082
where: short stacking energy: -45.965
Base-Backbone interact. energy: 0.747
local terms energy: -64.986044
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -17.133
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -7.572
Dist. restrs. and SS energy: 0.063 (S_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: 95
Temperature: 1.300000
Total energy: -120.835835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.835835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.835835 (E_RNA)
where:
Base-Base interactions energy: -62.345
where: short stacking energy: -35.473
Base-Backbone interact. energy: -0.076
local terms energy: -58.415521
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -3.471
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -128.635045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.635045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.635045 (E_RNA)
where:
Base-Base interactions energy: -71.187
where: short stacking energy: -36.065
Base-Backbone interact. energy: -0.764
local terms energy: -56.683735
where:
bonds (distance) C4'-P energy: -7.494
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -6.766
tors. eta vs tors. theta energy: -11.165
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -203.177718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.177718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.177718 (E_RNA)
where:
Base-Base interactions energy: -122.664
where: short stacking energy: -70.013
Base-Backbone interact. energy: -0.075
local terms energy: -80.438508
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -18.975
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -21.622
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: 96
Temperature: 0.950000
Total energy: -207.644114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.644114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.717588 (E_RNA)
where:
Base-Base interactions energy: -127.548
where: short stacking energy: -75.309
Base-Backbone interact. energy: -0.011
local terms energy: -80.158909
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -21.809
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -188.212279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.212279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.533620 (E_RNA)
where:
Base-Base interactions energy: -119.314
where: short stacking energy: -56.989
Base-Backbone interact. energy: -0.572
local terms energy: -68.647619
where:
bonds (distance) C4'-P energy: -17.935
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -10.986
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -13.176
Dist. restrs. and SS energy: 0.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -189.360136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.360136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.511414 (E_RNA)
where:
Base-Base interactions energy: -120.256
where: short stacking energy: -76.496
Base-Backbone interact. energy: 0.993
local terms energy: -70.248480
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -9.655
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -17.232
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -161.437825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.437825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.667097 (E_RNA)
where:
Base-Base interactions energy: -98.356
where: short stacking energy: -63.523
Base-Backbone interact. energy: -0.046
local terms energy: -63.265451
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -15.684
Dist. restrs. and SS energy: 0.229 (S_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: 96
Temperature: 1.150000
Total energy: -156.560377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.560377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.770915 (E_RNA)
where:
Base-Base interactions energy: -93.948
where: short stacking energy: -58.047
Base-Backbone interact. energy: -0.074
local terms energy: -62.748773
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -4.902
tors. eta vs tors. theta energy: -13.139
Dist. restrs. and SS energy: 0.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -150.332282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.332282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.583138 (E_RNA)
where:
Base-Base interactions energy: -86.863
where: short stacking energy: -45.841
Base-Backbone interact. energy: -0.154
local terms energy: -63.566097
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -9.275
Dist. restrs. and SS energy: 0.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -154.756784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.756784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.756784 (E_RNA)
where:
Base-Base interactions energy: -92.462
where: short stacking energy: -49.416
Base-Backbone interact. energy: 1.435
local terms energy: -63.729542
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -6.496
tors. eta vs tors. theta energy: -16.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -129.968712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.968712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.096370 (E_RNA)
where:
Base-Base interactions energy: -69.954
where: short stacking energy: -40.699
Base-Backbone interact. energy: -0.031
local terms energy: -60.110587
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -4.888
tors. eta vs tors. theta energy: -10.681
Dist. restrs. and SS energy: 0.128 (S_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: 96
Temperature: 1.350000
Total energy: -109.657863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.657863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.697019 (E_RNA)
where:
Base-Base interactions energy: -56.732
where: short stacking energy: -26.126
Base-Backbone interact. energy: -0.527
local terms energy: -52.437935
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -17.562
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -1.855
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -214.857632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.857632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.895019 (E_RNA)
where:
Base-Base interactions energy: -129.391
where: short stacking energy: -73.545
Base-Backbone interact. energy: -0.123
local terms energy: -85.380971
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -23.915
Dist. restrs. and SS energy: 0.037 (S_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: 97
Temperature: 0.950000
Total energy: -198.804693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.804693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.026758 (E_RNA)
where:
Base-Base interactions energy: -124.386
where: short stacking energy: -71.559
Base-Backbone interact. energy: -0.136
local terms energy: -74.505481
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -13.178
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -14.383
tors. eta vs tors. theta energy: -19.450
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -175.736026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.736026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.218547 (E_RNA)
where:
Base-Base interactions energy: -111.010
where: short stacking energy: -54.392
Base-Backbone interact. energy: -0.331
local terms energy: -64.877455
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -6.274
tors. eta vs tors. theta energy: -12.138
Dist. restrs. and SS energy: 0.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -171.898454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.898454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.968554 (E_RNA)
where:
Base-Base interactions energy: -99.205
where: short stacking energy: -55.126
Base-Backbone interact. energy: -0.478
local terms energy: -72.285126
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -18.172
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. 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: -168.509122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.509122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.516478 (E_RNA)
where:
Base-Base interactions energy: -100.012
where: short stacking energy: -49.034
Base-Backbone interact. energy: -0.962
local terms energy: -67.543125
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -13.173
Dist. restrs. and SS energy: 0.007 (S_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: 97
Temperature: 1.150000
Total energy: -170.172014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.172014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.217416 (E_RNA)
where:
Base-Base interactions energy: -96.969
where: short stacking energy: -52.318
Base-Backbone interact. energy: -0.006
local terms energy: -73.242217
where:
bonds (distance) C4'-P energy: -11.116
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -14.637
Dist. restrs. and SS energy: 0.045 (S_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: 97
Temperature: 1.200000
Total energy: -151.973382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.973382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.486263 (E_RNA)
where:
Base-Base interactions energy: -94.563
where: short stacking energy: -41.438
Base-Backbone interact. energy: -0.394
local terms energy: -57.528953
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -5.669
Dist. restrs. and SS energy: 0.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -144.740650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.740650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.740650 (E_RNA)
where:
Base-Base interactions energy: -88.675
where: short stacking energy: -40.058
Base-Backbone interact. energy: 0.962
local terms energy: -57.027303
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -11.710
flat angles C4'-P-C4' energy: -10.771
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -6.869
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -127.355129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.355129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.402191 (E_RNA)
where:
Base-Base interactions energy: -75.112
where: short stacking energy: -36.885
Base-Backbone interact. energy: -0.105
local terms energy: -52.184618
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -11.664
flat angles C4'-P-C4' energy: -11.224
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -5.469
Dist. restrs. and SS energy: 0.047 (S_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: 97
Temperature: 1.350000
Total energy: -129.098735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.098735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.208677 (E_RNA)
where:
Base-Base interactions energy: -74.808
where: short stacking energy: -38.464
Base-Backbone interact. energy: -0.090
local terms energy: -54.310640
where:
bonds (distance) C4'-P energy: -16.237
bonds (distance) P-C4' energy: -11.521
flat angles C4'-P-C4' energy: -9.419
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -6.336
Dist. restrs. and SS energy: 0.110 (S_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: -190.268089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.268089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.268089 (E_RNA)
where:
Base-Base interactions energy: -108.039
where: short stacking energy: -65.882
Base-Backbone interact. energy: -0.114
local terms energy: -82.114536
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -18.419
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -18.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -190.957943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.957943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.957943 (E_RNA)
where:
Base-Base interactions energy: -115.131
where: short stacking energy: -69.537
Base-Backbone interact. energy: -0.259
local terms energy: -75.568144
where:
bonds (distance) C4'-P energy: -10.105
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -18.326
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -21.707
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: 98
Temperature: 1.000000
Total energy: -168.962665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.962665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.001687 (E_RNA)
where:
Base-Base interactions energy: -104.979
where: short stacking energy: -56.315
Base-Backbone interact. energy: -0.008
local terms energy: -64.015461
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -12.185
Dist. restrs. and SS energy: 0.039 (S_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: 98
Temperature: 1.050000
Total energy: -165.785342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.785342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.785342 (E_RNA)
where:
Base-Base interactions energy: -98.329
where: short stacking energy: -60.167
Base-Backbone interact. energy: 0.234
local terms energy: -67.691077
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -9.934
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -13.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -164.980239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.980239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.202266 (E_RNA)
where:
Base-Base interactions energy: -100.898
where: short stacking energy: -53.559
Base-Backbone interact. energy: -0.018
local terms energy: -64.286017
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -11.528
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -152.173007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.173007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.864981 (E_RNA)
where:
Base-Base interactions energy: -87.465
where: short stacking energy: -39.407
Base-Backbone interact. energy: -0.193
local terms energy: -65.206744
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -11.737
Dist. restrs. and SS energy: 0.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -132.779015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.779015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.853964 (E_RNA)
where:
Base-Base interactions energy: -75.314
where: short stacking energy: -45.336
Base-Backbone interact. energy: -0.097
local terms energy: -57.442619
where:
bonds (distance) C4'-P energy: -9.639
bonds (distance) P-C4' energy: -17.951
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -7.209
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -162.422151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.422151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.495312 (E_RNA)
where:
Base-Base interactions energy: -87.161
where: short stacking energy: -42.652
Base-Backbone interact. energy: -0.037
local terms energy: -75.297156
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -14.282
Dist. restrs. and SS energy: 0.073 (S_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: 98
Temperature: 1.300000
Total energy: -128.243131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.243131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.243131 (E_RNA)
where:
Base-Base interactions energy: -73.627
where: short stacking energy: -43.501
Base-Backbone interact. energy: -0.190
local terms energy: -54.425908
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -13.724
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -5.349
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -121.561092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.561092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.664563 (E_RNA)
where:
Base-Base interactions energy: -76.677
where: short stacking energy: -33.904
Base-Backbone interact. energy: -0.221
local terms energy: -44.767149
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: -1.583
Dist. restrs. and SS energy: 0.103 (S_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: -197.573858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.573858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.213609 (E_RNA)
where:
Base-Base interactions energy: -115.341
where: short stacking energy: -63.732
Base-Backbone interact. energy: -0.112
local terms energy: -82.760487
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -20.949
Dist. restrs. and SS energy: 0.640 (S_DIST_RNA)
chem. 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: -180.062632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.062632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.246334 (E_RNA)
where:
Base-Base interactions energy: -108.924
where: short stacking energy: -64.867
Base-Backbone interact. energy: -0.096
local terms energy: -71.225914
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -16.293
Dist. restrs. and SS energy: 0.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -182.995943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.995943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.632860 (E_RNA)
where:
Base-Base interactions energy: -107.691
where: short stacking energy: -66.901
Base-Backbone interact. energy: -0.155
local terms energy: -75.786394
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -13.504
tors. eta vs tors. theta energy: -16.415
Dist. restrs. and SS energy: 0.637 (S_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: 99
Temperature: 1.050000
Total energy: -164.852286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.852286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.871614 (E_RNA)
where:
Base-Base interactions energy: -102.524
where: short stacking energy: -49.572
Base-Backbone interact. energy: -0.094
local terms energy: -62.253719
where:
bonds (distance) C4'-P energy: -9.582
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -10.986
Dist. restrs. and SS energy: 0.019 (S_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: 99
Temperature: 1.100000
Total energy: -169.503292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.503292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.722001 (E_RNA)
where:
Base-Base interactions energy: -103.380
where: short stacking energy: -57.773
Base-Backbone interact. energy: -0.162
local terms energy: -66.179585
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -16.941
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -16.260
Dist. restrs. and SS energy: 0.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -155.764701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.764701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.831195 (E_RNA)
where:
Base-Base interactions energy: -92.423
where: short stacking energy: -44.869
Base-Backbone interact. energy: -0.152
local terms energy: -63.255861
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -9.205
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -11.744
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -132.883996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.883996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.906279 (E_RNA)
where:
Base-Base interactions energy: -92.179
where: short stacking energy: -42.222
Base-Backbone interact. energy: 2.741
local terms energy: -43.468072
where:
bonds (distance) C4'-P energy: -8.741
bonds (distance) P-C4' energy: -8.672
flat angles C4'-P-C4' energy: -8.351
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -7.704
Dist. restrs. and SS energy: 0.022 (S_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: 99
Temperature: 1.250000
Total energy: -140.934243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.934243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.141707 (E_RNA)
where:
Base-Base interactions energy: -77.101
where: short stacking energy: -49.608
Base-Backbone interact. energy: -0.106
local terms energy: -63.934939
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -7.659
Dist. restrs. and SS energy: 0.207 (S_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: -125.799598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.799598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.799598 (E_RNA)
where:
Base-Base interactions energy: -77.433
where: short stacking energy: -35.281
Base-Backbone interact. energy: 0.068
local terms energy: -48.434686
where:
bonds (distance) C4'-P energy: -12.077
bonds (distance) P-C4' energy: -11.555
flat angles C4'-P-C4' energy: -11.792
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -4.256
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -114.631120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.631120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.906725 (E_RNA)
where:
Base-Base interactions energy: -60.510
where: short stacking energy: -29.047
Base-Backbone interact. energy: -0.079
local terms energy: -54.318313
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -12.357
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -5.717
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -186.855644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.855644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.929449 (E_RNA)
where:
Base-Base interactions energy: -110.723
where: short stacking energy: -66.402
Base-Backbone interact. energy: -0.038
local terms energy: -76.168644
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -12.885
tors. eta vs tors. theta energy: -16.223
Dist. restrs. and SS energy: 0.074 (S_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: 100
Temperature: 0.950000
Total energy: -198.482660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.482660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.835713 (E_RNA)
where:
Base-Base interactions energy: -126.242
where: short stacking energy: -74.035
Base-Backbone interact. energy: -0.005
local terms energy: -72.589678
where:
bonds (distance) C4'-P energy: -11.640
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -17.396
Dist. restrs. and SS energy: 0.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -179.025066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.025066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.025605 (E_RNA)
where:
Base-Base interactions energy: -110.025
where: short stacking energy: -62.178
Base-Backbone interact. energy: -0.007
local terms energy: -68.993095
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -10.746
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -19.370
Dist. restrs. and SS energy: 0.001 (S_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: 100
Temperature: 1.050000
Total energy: -172.393985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.393985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.404920 (E_RNA)
where:
Base-Base interactions energy: -95.266
where: short stacking energy: -50.634
Base-Backbone interact. energy: -0.234
local terms energy: -76.904348
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -15.637
Dist. restrs. and SS energy: 0.011 (S_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: 100
Temperature: 1.100000
Total energy: -165.386269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.386269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.895575 (E_RNA)
where:
Base-Base interactions energy: -94.950
where: short stacking energy: -50.266
Base-Backbone interact. energy: 0.427
local terms energy: -71.372258
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -13.108
Dist. restrs. and SS energy: 0.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -148.468773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.468773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.468773 (E_RNA)
where:
Base-Base interactions energy: -83.236
where: short stacking energy: -49.535
Base-Backbone interact. energy: -0.094
local terms energy: -65.138781
where:
bonds (distance) C4'-P energy: -18.070
bonds (distance) P-C4' energy: -11.072
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -11.246
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: 10
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -143.872592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.872592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.872592 (E_RNA)
where:
Base-Base interactions energy: -82.430
where: short stacking energy: -44.143
Base-Backbone interact. energy: 0.166
local terms energy: -61.608178
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -5.233
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -126.926592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.926592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.069334 (E_RNA)
where:
Base-Base interactions energy: -68.756
where: short stacking energy: -41.141
Base-Backbone interact. energy: -0.127
local terms energy: -58.185918
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -8.762
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -139.210825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.210825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.237182 (E_RNA)
where:
Base-Base interactions energy: -75.051
where: short stacking energy: -35.170
Base-Backbone interact. energy: -0.167
local terms energy: -64.019350
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -5.314
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -120.358198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.358198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.394409 (E_RNA)
where:
Base-Base interactions energy: -68.379
where: short stacking energy: -34.870
Base-Backbone interact. energy: 0.699
local terms energy: -52.713758
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -9.373
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -3.924
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -187.693671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.693671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.693671 (E_RNA)
where:
Base-Base interactions energy: -108.059
where: short stacking energy: -66.776
Base-Backbone interact. energy: -0.001
local terms energy: -79.633788
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -16.922
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -185.973534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.973534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.036391 (E_RNA)
where:
Base-Base interactions energy: -102.015
where: short stacking energy: -62.836
Base-Backbone interact. energy: -0.071
local terms energy: -83.949518
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -17.873
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -20.945
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -173.510225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.510225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.527549 (E_RNA)
where:
Base-Base interactions energy: -109.114
where: short stacking energy: -68.119
Base-Backbone interact. energy: -0.012
local terms energy: -64.401486
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -13.319
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -16.120
Dist. restrs. and SS energy: 0.017 (S_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: -186.987480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.987480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.030100 (E_RNA)
where:
Base-Base interactions energy: -113.993
where: short stacking energy: -71.152
Base-Backbone interact. energy: 1.035
local terms energy: -74.072191
where:
bonds (distance) C4'-P energy: -10.904
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -16.692
Dist. restrs. and SS energy: 0.043 (S_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: 101
Temperature: 1.100000
Total energy: -160.171939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.171939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.171939 (E_RNA)
where:
Base-Base interactions energy: -93.943
where: short stacking energy: -45.873
Base-Backbone interact. energy: -0.177
local terms energy: -66.051955
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -8.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -145.718049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.718049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.784256 (E_RNA)
where:
Base-Base interactions energy: -85.001
where: short stacking energy: -41.087
Base-Backbone interact. energy: -0.027
local terms energy: -60.755518
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -5.765
tors. eta vs tors. theta energy: -9.942
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -142.136581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.136581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.136581 (E_RNA)
where:
Base-Base interactions energy: -78.790
where: short stacking energy: -42.439
Base-Backbone interact. energy: -0.569
local terms energy: -62.777315
where:
bonds (distance) C4'-P energy: -16.663
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -10.253
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -150.687948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.687948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.691520 (E_RNA)
where:
Base-Base interactions energy: -83.524
where: short stacking energy: -45.441
Base-Backbone interact. energy: -0.074
local terms energy: -67.093488
where:
bonds (distance) C4'-P energy: -12.031
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -13.642
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -126.443761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.443761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.443761 (E_RNA)
where:
Base-Base interactions energy: -66.631
where: short stacking energy: -36.515
Base-Backbone interact. energy: -0.393
local terms energy: -59.420033
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -6.425
tors. eta vs tors. theta energy: -10.574
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -126.998712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.998712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.023687 (E_RNA)
where:
Base-Base interactions energy: -75.073
where: short stacking energy: -32.198
Base-Backbone interact. energy: -0.236
local terms energy: -51.714415
where:
bonds (distance) C4'-P energy: -8.675
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -1.683
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -192.144753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.144753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.144753 (E_RNA)
where:
Base-Base interactions energy: -120.667
where: short stacking energy: -72.983
Base-Backbone interact. energy: -0.246
local terms energy: -71.232027
where:
bonds (distance) C4'-P energy: -14.561
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -18.539
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -176.088363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.088363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.107604 (E_RNA)
where:
Base-Base interactions energy: -104.487
where: short stacking energy: -61.743
Base-Backbone interact. energy: -0.085
local terms energy: -71.535194
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -15.290
Dist. restrs. and SS energy: 0.019 (S_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: 102
Temperature: 1.000000
Total energy: -187.121009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.121009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.339990 (E_RNA)
where:
Base-Base interactions energy: -105.835
where: short stacking energy: -65.507
Base-Backbone interact. energy: -0.012
local terms energy: -81.492692
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -13.210
tors. eta vs tors. theta energy: -21.332
Dist. restrs. and SS energy: 0.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -182.060540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.060540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.213747 (E_RNA)
where:
Base-Base interactions energy: -107.613
where: short stacking energy: -64.706
Base-Backbone interact. energy: -0.013
local terms energy: -74.587708
where:
bonds (distance) C4'-P energy: -17.765
bonds (distance) P-C4' energy: -11.367
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -18.414
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -145.576698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.576698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.578107 (E_RNA)
where:
Base-Base interactions energy: -75.020
where: short stacking energy: -40.354
Base-Backbone interact. energy: -0.292
local terms energy: -70.266228
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -10.073
Dist. restrs. and SS energy: 0.001 (S_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: 102
Temperature: 1.150000
Total energy: -157.507209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.507209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.983749 (E_RNA)
where:
Base-Base interactions energy: -92.204
where: short stacking energy: -53.673
Base-Backbone interact. energy: -0.007
local terms energy: -65.772617
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -9.248
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -15.859
Dist. restrs. and SS energy: 0.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -142.691821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.691821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.935503 (E_RNA)
where:
Base-Base interactions energy: -90.722
where: short stacking energy: -39.356
Base-Backbone interact. energy: -0.308
local terms energy: -51.906228
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -3.660
Dist. restrs. and SS energy: 0.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -137.490675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.490675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.490675 (E_RNA)
where:
Base-Base interactions energy: -83.533
where: short stacking energy: -39.188
Base-Backbone interact. energy: 0.410
local terms energy: -54.367246
where:
bonds (distance) C4'-P energy: -9.282
bonds (distance) P-C4' energy: -10.039
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -8.446
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -120.348732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.348732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.348732 (E_RNA)
where:
Base-Base interactions energy: -68.128
where: short stacking energy: -35.070
Base-Backbone interact. energy: -0.129
local terms energy: -52.090798
where:
bonds (distance) C4'-P energy: -9.640
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -0.989
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -131.150919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.150919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.150919 (E_RNA)
where:
Base-Base interactions energy: -71.168
where: short stacking energy: -34.754
Base-Backbone interact. energy: -0.203
local terms energy: -59.779164
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -5.833
tors. eta vs tors. theta energy: -8.681
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: 9
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -184.261027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.261027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.262706 (E_RNA)
where:
Base-Base interactions energy: -101.808
where: short stacking energy: -63.046
Base-Backbone interact. energy: -0.269
local terms energy: -82.186461
where:
bonds (distance) C4'-P energy: -17.889
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -18.492
flat angles P-C4'-P energy: -13.827
tors. eta vs tors. theta energy: -15.738
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. 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: -180.476838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.476838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.476838 (E_RNA)
where:
Base-Base interactions energy: -96.230
where: short stacking energy: -50.212
Base-Backbone interact. energy: -0.046
local terms energy: -84.200179
where:
bonds (distance) C4'-P energy: -17.409
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -18.309
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -17.617
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -187.405105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.405105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.973299 (E_RNA)
where:
Base-Base interactions energy: -115.737
where: short stacking energy: -66.142
Base-Backbone interact. energy: -0.013
local terms energy: -72.223190
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -11.110
flat angles C4'-P-C4' energy: -18.303
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -19.429
Dist. restrs. and SS energy: 0.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -177.778250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.778250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.778250 (E_RNA)
where:
Base-Base interactions energy: -106.507
where: short stacking energy: -62.446
Base-Backbone interact. energy: 0.304
local terms energy: -71.575145
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -20.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -149.863400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.863400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.984828 (E_RNA)
where:
Base-Base interactions energy: -86.054
where: short stacking energy: -37.131
Base-Backbone interact. energy: -0.984
local terms energy: -62.947406
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -11.083
Dist. restrs. and SS energy: 0.121 (S_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: 103
Temperature: 1.150000
Total energy: -156.346286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.346286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.482061 (E_RNA)
where:
Base-Base interactions energy: -90.709
where: short stacking energy: -49.031
Base-Backbone interact. energy: -0.299
local terms energy: -65.473919
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -11.629
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -156.633446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.633446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.138847 (E_RNA)
where:
Base-Base interactions energy: -98.142
where: short stacking energy: -49.812
Base-Backbone interact. energy: -0.256
local terms energy: -58.741655
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -10.944
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -11.349
Dist. restrs. and SS energy: 0.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -135.517967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.517967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.544558 (E_RNA)
where:
Base-Base interactions energy: -78.191
where: short stacking energy: -44.554
Base-Backbone interact. energy: -0.190
local terms energy: -57.163988
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -7.323
tors. eta vs tors. theta energy: -10.127
Dist. restrs. and SS energy: 0.027 (S_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: -139.533009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.533009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.535125 (E_RNA)
where:
Base-Base interactions energy: -88.436
where: short stacking energy: -44.317
Base-Backbone interact. energy: 0.118
local terms energy: -51.216954
where:
bonds (distance) C4'-P energy: -5.292
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -5.598
Dist. restrs. and SS energy: 0.002 (S_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: 103
Temperature: 1.350000
Total energy: -113.854714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.854714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.854714 (E_RNA)
where:
Base-Base interactions energy: -58.662
where: short stacking energy: -26.635
Base-Backbone interact. energy: -0.397
local terms energy: -54.795837
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -0.915
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -187.921813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.921813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.986695 (E_RNA)
where:
Base-Base interactions energy: -110.825
where: short stacking energy: -62.593
Base-Backbone interact. energy: -0.043
local terms energy: -77.118422
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -17.549
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -17.301
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -188.020126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.020126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.227369 (E_RNA)
where:
Base-Base interactions energy: -112.385
where: short stacking energy: -60.206
Base-Backbone interact. energy: -0.178
local terms energy: -75.664412
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -17.839
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -17.160
Dist. restrs. and SS energy: 0.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -189.514309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.514309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.528994 (E_RNA)
where:
Base-Base interactions energy: -115.186
where: short stacking energy: -64.868
Base-Backbone interact. energy: 1.256
local terms energy: -75.598444
where:
bonds (distance) C4'-P energy: -17.012
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -17.724
Dist. restrs. and SS energy: 0.015 (S_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: -180.045524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.045524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.151208 (E_RNA)
where:
Base-Base interactions energy: -105.572
where: short stacking energy: -61.701
Base-Backbone interact. energy: -0.017
local terms energy: -74.562444
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -15.792
Dist. restrs. and SS energy: 0.106 (S_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: 104
Temperature: 1.100000
Total energy: -147.187987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.187987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.187987 (E_RNA)
where:
Base-Base interactions energy: -92.675
where: short stacking energy: -45.592
Base-Backbone interact. energy: -0.067
local terms energy: -54.445924
where:
bonds (distance) C4'-P energy: -9.493
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -4.816
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: 10
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -152.279708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.279708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.510319 (E_RNA)
where:
Base-Base interactions energy: -90.992
where: short stacking energy: -46.168
Base-Backbone interact. energy: -0.049
local terms energy: -61.468806
where:
bonds (distance) C4'-P energy: -11.832
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -10.471
Dist. restrs. and SS energy: 0.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -161.253774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.253774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.264808 (E_RNA)
where:
Base-Base interactions energy: -99.220
where: short stacking energy: -45.887
Base-Backbone interact. energy: 0.199
local terms energy: -62.243863
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -9.947
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -148.040330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.040330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.310059 (E_RNA)
where:
Base-Base interactions energy: -84.260
where: short stacking energy: -37.726
Base-Backbone interact. energy: -0.201
local terms energy: -63.849495
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -9.034
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -128.058997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.058997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.245321 (E_RNA)
where:
Base-Base interactions energy: -71.112
where: short stacking energy: -35.440
Base-Backbone interact. energy: -0.013
local terms energy: -57.120069
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -5.035
tors. eta vs tors. theta energy: -4.619
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -119.405927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.405927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.428083 (E_RNA)
where:
Base-Base interactions energy: -71.400
where: short stacking energy: -41.616
Base-Backbone interact. energy: -0.395
local terms energy: -47.632833
where:
bonds (distance) C4'-P energy: -5.262
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -8.722
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -192.104356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.104356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.104356 (E_RNA)
where:
Base-Base interactions energy: -117.594
where: short stacking energy: -68.980
Base-Backbone interact. energy: -0.003
local terms energy: -74.507226
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -18.737
flat angles C4'-P-C4' energy: -19.111
flat angles P-C4'-P energy: -7.206
tors. eta vs tors. theta energy: -18.979
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -186.994088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.994088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.994088 (E_RNA)
where:
Base-Base interactions energy: -104.966
where: short stacking energy: -61.796
Base-Backbone interact. energy: -0.011
local terms energy: -82.016431
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -18.673
flat angles P-C4'-P energy: -13.816
tors. eta vs tors. theta energy: -15.538
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: 3
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -169.538829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.538829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.556789 (E_RNA)
where:
Base-Base interactions energy: -101.737
where: short stacking energy: -53.148
Base-Backbone interact. energy: -0.364
local terms energy: -67.456390
where:
bonds (distance) C4'-P energy: -16.365
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -10.977
Dist. restrs. and SS energy: 0.018 (S_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: 105
Temperature: 1.050000
Total energy: -161.827773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.827773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.862168 (E_RNA)
where:
Base-Base interactions energy: -98.551
where: short stacking energy: -55.279
Base-Backbone interact. energy: -0.053
local terms energy: -63.258232
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -12.491
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -10.947
Dist. restrs. and SS energy: 0.034 (S_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: 105
Temperature: 1.100000
Total energy: -176.349954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.349954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.462432 (E_RNA)
where:
Base-Base interactions energy: -101.120
where: short stacking energy: -54.256
Base-Backbone interact. energy: -0.754
local terms energy: -74.588363
where:
bonds (distance) C4'-P energy: -18.059
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -14.776
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -152.435249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.435249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.435249 (E_RNA)
where:
Base-Base interactions energy: -83.514
where: short stacking energy: -48.350
Base-Backbone interact. energy: -0.041
local terms energy: -68.880307
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -15.335
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: 10
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -148.836331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.836331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.836331 (E_RNA)
where:
Base-Base interactions energy: -85.411
where: short stacking energy: -48.346
Base-Backbone interact. energy: -0.064
local terms energy: -63.361012
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -11.524
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: 8, replica: 8
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -133.684788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.684788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.873784 (E_RNA)
where:
Base-Base interactions energy: -75.003
where: short stacking energy: -47.508
Base-Backbone interact. energy: -0.005
local terms energy: -58.866213
where:
bonds (distance) C4'-P energy: -14.784
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: -7.303
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -129.538497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.538497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.541098 (E_RNA)
where:
Base-Base interactions energy: -68.548
where: short stacking energy: -40.108
Base-Backbone interact. energy: -0.082
local terms energy: -60.910371
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -11.007
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -10.658
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -131.632921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.632921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.632921 (E_RNA)
where:
Base-Base interactions energy: -66.238
where: short stacking energy: -35.724
Base-Backbone interact. energy: -0.808
local terms energy: -64.587247
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -6.774
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: 9
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -190.626103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.626103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.626103 (E_RNA)
where:
Base-Base interactions energy: -110.786
where: short stacking energy: -68.662
Base-Backbone interact. energy: -0.000
local terms energy: -79.840138
where:
bonds (distance) C4'-P energy: -17.065
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -18.608
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: 5
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -176.200310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.200310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.200310 (E_RNA)
where:
Base-Base interactions energy: -101.956
where: short stacking energy: -56.164
Base-Backbone interact. energy: -0.029
local terms energy: -74.215680
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -16.887
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -13.254
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -160.110248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.110248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.110248 (E_RNA)
where:
Base-Base interactions energy: -90.219
where: short stacking energy: -57.113
Base-Backbone interact. energy: -0.180
local terms energy: -69.711246
where:
bonds (distance) C4'-P energy: -17.310
bonds (distance) P-C4' energy: -12.907
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -13.632
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: 106
Temperature: 1.050000
Total energy: -159.165444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.165444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.165444 (E_RNA)
where:
Base-Base interactions energy: -89.185
where: short stacking energy: -55.487
Base-Backbone interact. energy: -0.639
local terms energy: -69.341341
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -13.101
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -13.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -147.158368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.158368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.252355 (E_RNA)
where:
Base-Base interactions energy: -91.487
where: short stacking energy: -53.568
Base-Backbone interact. energy: -0.003
local terms energy: -55.762627
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -6.230
Dist. restrs. and SS energy: 0.094 (S_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: 106
Temperature: 1.150000
Total energy: -146.287806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.287806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.501655 (E_RNA)
where:
Base-Base interactions energy: -87.205
where: short stacking energy: -40.693
Base-Backbone interact. energy: -0.220
local terms energy: -59.076903
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -14.456
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -9.515
Dist. restrs. and SS energy: 0.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -145.035519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.035519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.080742 (E_RNA)
where:
Base-Base interactions energy: -84.190
where: short stacking energy: -51.460
Base-Backbone interact. energy: -0.017
local terms energy: -60.873787
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -8.155
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -11.492
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -136.032518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.032518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.052762 (E_RNA)
where:
Base-Base interactions energy: -71.324
where: short stacking energy: -36.990
Base-Backbone interact. energy: -0.069
local terms energy: -64.660318
where:
bonds (distance) C4'-P energy: -7.294
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -10.662
Dist. restrs. and SS energy: 0.020 (S_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: -122.165279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.165279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.189290 (E_RNA)
where:
Base-Base interactions energy: -73.151
where: short stacking energy: -42.661
Base-Backbone interact. energy: -0.260
local terms energy: -48.778767
where:
bonds (distance) C4'-P energy: -8.972
bonds (distance) P-C4' energy: -16.767
flat angles C4'-P-C4' energy: -8.220
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -4.587
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -122.234673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.234673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.236798 (E_RNA)
where:
Base-Base interactions energy: -61.997
where: short stacking energy: -40.043
Base-Backbone interact. energy: -0.078
local terms energy: -60.161160
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -18.075
flat angles C4'-P-C4' energy: -10.366
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -6.168
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -190.428537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.428537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.645693 (E_RNA)
where:
Base-Base interactions energy: -118.990
where: short stacking energy: -57.606
Base-Backbone interact. energy: -0.006
local terms energy: -71.649308
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -18.883
Dist. restrs. and SS energy: 0.217 (S_DIST_RNA)
chem. 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: -190.117688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.117688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.117688 (E_RNA)
where:
Base-Base interactions energy: -113.641
where: short stacking energy: -71.772
Base-Backbone interact. energy: -0.244
local terms energy: -76.232832
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -10.986
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -19.395
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -187.590544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.590544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.727903 (E_RNA)
where:
Base-Base interactions energy: -118.235
where: short stacking energy: -56.142
Base-Backbone interact. energy: -0.164
local terms energy: -69.329343
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -14.622
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -155.904949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.904949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.161209 (E_RNA)
where:
Base-Base interactions energy: -100.742
where: short stacking energy: -52.085
Base-Backbone interact. energy: -0.222
local terms energy: -55.197173
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -6.958
tors. eta vs tors. theta energy: -9.792
Dist. restrs. and SS energy: 0.256 (S_DIST_RNA)
chem. 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: -142.975922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.975922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.244880 (E_RNA)
where:
Base-Base interactions energy: -74.982
where: short stacking energy: -35.024
Base-Backbone interact. energy: -0.064
local terms energy: -68.199049
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -13.328
tors. eta vs tors. theta energy: -5.587
Dist. restrs. and SS energy: 0.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -149.104458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.104458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.200889 (E_RNA)
where:
Base-Base interactions energy: -84.627
where: short stacking energy: -50.270
Base-Backbone interact. energy: -0.027
local terms energy: -64.546315
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -14.654
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -10.840
Dist. restrs. and SS energy: 0.096 (S_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: 107
Temperature: 1.200000
Total energy: -147.978288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.978288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.294536 (E_RNA)
where:
Base-Base interactions energy: -88.184
where: short stacking energy: -31.152
Base-Backbone interact. energy: -0.163
local terms energy: -59.948063
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -10.388
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -6.401
Dist. restrs. and SS energy: 0.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -137.973469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.973469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.973469 (E_RNA)
where:
Base-Base interactions energy: -79.620
where: short stacking energy: -37.536
Base-Backbone interact. energy: -0.090
local terms energy: -58.262918
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -5.861
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -125.598466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.598466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.771936 (E_RNA)
where:
Base-Base interactions energy: -67.664
where: short stacking energy: -41.829
Base-Backbone interact. energy: -0.160
local terms energy: -57.947914
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -4.784
Dist. restrs. and SS energy: 0.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -119.828050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.828050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.828050 (E_RNA)
where:
Base-Base interactions energy: -64.626
where: short stacking energy: -39.356
Base-Backbone interact. energy: -0.024
local terms energy: -55.178118
where:
bonds (distance) C4'-P energy: -9.168
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -5.524
tors. eta vs tors. theta energy: -10.587
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: 9
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -206.520715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.520715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.535506 (E_RNA)
where:
Base-Base interactions energy: -126.134
where: short stacking energy: -79.012
Base-Backbone interact. energy: -0.083
local terms energy: -80.318133
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -21.931
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. 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: -186.671433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.671433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.671433 (E_RNA)
where:
Base-Base interactions energy: -106.985
where: short stacking energy: -70.182
Base-Backbone interact. energy: -0.002
local terms energy: -79.684502
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -18.864
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: 2
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -168.869335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.869335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.035551 (E_RNA)
where:
Base-Base interactions energy: -103.063
where: short stacking energy: -58.689
Base-Backbone interact. energy: -0.374
local terms energy: -65.598117
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -9.378
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -18.319
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -155.724346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.724346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.763588 (E_RNA)
where:
Base-Base interactions energy: -90.080
where: short stacking energy: -46.388
Base-Backbone interact. energy: -0.079
local terms energy: -65.604428
where:
bonds (distance) C4'-P energy: -12.378
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -9.364
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. 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: -153.812947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.812947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.134801 (E_RNA)
where:
Base-Base interactions energy: -92.071
where: short stacking energy: -52.901
Base-Backbone interact. energy: -0.127
local terms energy: -61.936482
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -11.565
Dist. restrs. and SS energy: 0.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -152.890219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.890219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.097203 (E_RNA)
where:
Base-Base interactions energy: -82.940
where: short stacking energy: -45.306
Base-Backbone interact. energy: -0.438
local terms energy: -69.719223
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -13.113
Dist. restrs. and SS energy: 0.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -141.958623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.958623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.012294 (E_RNA)
where:
Base-Base interactions energy: -81.486
where: short stacking energy: -41.587
Base-Backbone interact. energy: -0.177
local terms energy: -60.349460
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -11.037
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -8.846
Dist. restrs. and SS energy: 0.054 (S_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: 108
Temperature: 1.250000
Total energy: -128.535723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.535723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.754916 (E_RNA)
where:
Base-Base interactions energy: -68.798
where: short stacking energy: -40.123
Base-Backbone interact. energy: -0.056
local terms energy: -59.900696
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -3.579
Dist. restrs. and SS energy: 0.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -123.866052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.866052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.879563 (E_RNA)
where:
Base-Base interactions energy: -77.527
where: short stacking energy: -48.459
Base-Backbone interact. energy: 0.473
local terms energy: -46.825390
where:
bonds (distance) C4'-P energy: -6.902
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -3.807
tors. eta vs tors. theta energy: -8.167
Dist. restrs. and SS energy: 0.014 (S_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: 108
Temperature: 1.350000
Total energy: -114.816815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.816815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.837839 (E_RNA)
where:
Base-Base interactions energy: -65.412
where: short stacking energy: -33.329
Base-Backbone interact. energy: -0.278
local terms energy: -49.148397
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -3.550
tors. eta vs tors. theta energy: -4.615
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -210.767648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.767648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.767648 (E_RNA)
where:
Base-Base interactions energy: -128.791
where: short stacking energy: -78.594
Base-Backbone interact. energy: -0.046
local terms energy: -81.930037
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -20.631
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -197.096826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.096826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.149091 (E_RNA)
where:
Base-Base interactions energy: -112.489
where: short stacking energy: -65.254
Base-Backbone interact. energy: -0.023
local terms energy: -84.636817
where:
bonds (distance) C4'-P energy: -16.709
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -18.687
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -19.251
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -177.514267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.514267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.758387 (E_RNA)
where:
Base-Base interactions energy: -102.038
where: short stacking energy: -58.837
Base-Backbone interact. energy: -0.011
local terms energy: -75.709618
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -18.526
flat angles C4'-P-C4' energy: -18.062
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -12.853
Dist. restrs. and SS energy: 0.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -168.924701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.924701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.950064 (E_RNA)
where:
Base-Base interactions energy: -104.062
where: short stacking energy: -61.690
Base-Backbone interact. energy: -0.210
local terms energy: -64.677603
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -13.967
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -12.422
Dist. restrs. and SS energy: 0.025 (S_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: 109
Temperature: 1.100000
Total energy: -150.012577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.012577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.749918 (E_RNA)
where:
Base-Base interactions energy: -91.535
where: short stacking energy: -49.794
Base-Backbone interact. energy: -0.155
local terms energy: -59.060323
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -10.024
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -8.253
Dist. restrs. and SS energy: 0.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -153.152521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.152521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.271125 (E_RNA)
where:
Base-Base interactions energy: -81.754
where: short stacking energy: -55.671
Base-Backbone interact. energy: -0.216
local terms energy: -71.300647
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -11.329
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -13.967
Dist. restrs. and SS energy: 0.119 (S_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: 109
Temperature: 1.200000
Total energy: -148.915391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.915391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.917397 (E_RNA)
where:
Base-Base interactions energy: -89.628
where: short stacking energy: -45.779
Base-Backbone interact. energy: -0.089
local terms energy: -59.200360
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -10.197
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -7.910
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -141.070741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.070741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.092499 (E_RNA)
where:
Base-Base interactions energy: -81.135
where: short stacking energy: -45.580
Base-Backbone interact. energy: -0.039
local terms energy: -59.918243
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -2.662
tors. eta vs tors. theta energy: -11.633
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -135.989597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.989597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.000013 (E_RNA)
where:
Base-Base interactions energy: -70.671
where: short stacking energy: -39.901
Base-Backbone interact. energy: 0.157
local terms energy: -65.486211
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -4.623
Dist. restrs. and SS energy: 0.010 (S_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: 109
Temperature: 1.350000
Total energy: -115.088385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.088385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.088385 (E_RNA)
where:
Base-Base interactions energy: -67.756
where: short stacking energy: -28.317
Base-Backbone interact. energy: -0.321
local terms energy: -47.011142
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -2.763
tors. eta vs tors. theta energy: 0.455
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -196.515229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.515229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.971996 (E_RNA)
where:
Base-Base interactions energy: -122.735
where: short stacking energy: -69.227
Base-Backbone interact. energy: -0.133
local terms energy: -74.103802
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: -17.793
Dist. restrs. and SS energy: 0.457 (S_DIST_RNA)
chem. 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: -173.695926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.695926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.727786 (E_RNA)
where:
Base-Base interactions energy: -105.026
where: short stacking energy: -61.654
Base-Backbone interact. energy: -0.103
local terms energy: -68.598459
where:
bonds (distance) C4'-P energy: -11.667
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -11.642
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -19.220
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -170.780760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.780760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.367854 (E_RNA)
where:
Base-Base interactions energy: -99.753
where: short stacking energy: -59.850
Base-Backbone interact. energy: -0.120
local terms energy: -71.494213
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -17.293
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -14.103
Dist. restrs. and SS energy: 0.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -146.229085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.229085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.229085 (E_RNA)
where:
Base-Base interactions energy: -81.044
where: short stacking energy: -40.211
Base-Backbone interact. energy: -0.008
local terms energy: -65.177211
where:
bonds (distance) C4'-P energy: -17.057
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -8.792
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: 5, replica: 10
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -145.521170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.521170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.521170 (E_RNA)
where:
Base-Base interactions energy: -82.786
where: short stacking energy: -48.058
Base-Backbone interact. energy: -0.281
local terms energy: -62.453331
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -12.030
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -152.260301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.260301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.406759 (E_RNA)
where:
Base-Base interactions energy: -90.601
where: short stacking energy: -44.540
Base-Backbone interact. energy: 0.607
local terms energy: -62.412390
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -6.047
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -140.761493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.761493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.761493 (E_RNA)
where:
Base-Base interactions energy: -79.224
where: short stacking energy: -46.022
Base-Backbone interact. energy: -0.257
local terms energy: -61.280383
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -11.442
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -139.839219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.839219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.851399 (E_RNA)
where:
Base-Base interactions energy: -78.398
where: short stacking energy: -47.902
Base-Backbone interact. energy: 0.964
local terms energy: -62.417647
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -10.819
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -11.494
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -126.707968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.707968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.718931 (E_RNA)
where:
Base-Base interactions energy: -69.791
where: short stacking energy: -31.630
Base-Backbone interact. energy: -0.327
local terms energy: -56.600750
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -6.439
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -125.066265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.066265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.359511 (E_RNA)
where:
Base-Base interactions energy: -72.272
where: short stacking energy: -43.232
Base-Backbone interact. energy: -0.437
local terms energy: -52.650669
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -10.415
flat angles P-C4'-P energy: -4.793
tors. eta vs tors. theta energy: -8.820
Dist. restrs. and SS energy: 0.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -203.658186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.658186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.992850 (E_RNA)
where:
Base-Base interactions energy: -123.825
where: short stacking energy: -72.927
Base-Backbone interact. energy: -0.071
local terms energy: -80.096248
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -17.831
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -21.806
Dist. restrs. and SS energy: 0.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -167.082439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.082439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.434315 (E_RNA)
where:
Base-Base interactions energy: -108.175
where: short stacking energy: -58.346
Base-Backbone interact. energy: -0.009
local terms energy: -59.249384
where:
bonds (distance) C4'-P energy: -13.111
bonds (distance) P-C4' energy: -8.671
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -12.029
Dist. restrs. and SS energy: 0.352 (S_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: 111
Temperature: 1.000000
Total energy: -172.108891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.108891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.145645 (E_RNA)
where:
Base-Base interactions energy: -96.670
where: short stacking energy: -64.929
Base-Backbone interact. energy: -0.003
local terms energy: -75.472282
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -18.498
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -157.400634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.400634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.400634 (E_RNA)
where:
Base-Base interactions energy: -87.061
where: short stacking energy: -54.377
Base-Backbone interact. energy: -0.189
local terms energy: -70.151358
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -11.654
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -160.295825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.295825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.556507 (E_RNA)
where:
Base-Base interactions energy: -98.306
where: short stacking energy: -45.161
Base-Backbone interact. energy: 0.864
local terms energy: -63.114003
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -17.529
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -7.160
Dist. restrs. and SS energy: 0.261 (S_DIST_RNA)
chem. 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: -149.378083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.378083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.889007 (E_RNA)
where:
Base-Base interactions energy: -79.959
where: short stacking energy: -37.865
Base-Backbone interact. energy: -0.288
local terms energy: -69.641719
where:
bonds (distance) C4'-P energy: -18.117
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -14.218
tors. eta vs tors. theta energy: -11.174
Dist. restrs. and SS energy: 0.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -126.346045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.346045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.346045 (E_RNA)
where:
Base-Base interactions energy: -69.081
where: short stacking energy: -41.867
Base-Backbone interact. energy: 0.806
local terms energy: -58.071017
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -4.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -139.530566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.530566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.546018 (E_RNA)
where:
Base-Base interactions energy: -80.316
where: short stacking energy: -40.208
Base-Backbone interact. energy: -0.059
local terms energy: -59.170980
where:
bonds (distance) C4'-P energy: -10.802
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -8.302
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -147.431163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.431163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.450005 (E_RNA)
where:
Base-Base interactions energy: -89.218
where: short stacking energy: -46.967
Base-Backbone interact. energy: -0.105
local terms energy: -58.126877
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -7.712
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -109.289948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.289948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.435344 (E_RNA)
where:
Base-Base interactions energy: -57.261
where: short stacking energy: -29.679
Base-Backbone interact. energy: -0.200
local terms energy: -51.974399
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -11.548
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -1.016
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -207.153057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.153057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.190252 (E_RNA)
where:
Base-Base interactions energy: -125.835
where: short stacking energy: -75.380
Base-Backbone interact. energy: -0.000
local terms energy: -81.354779
where:
bonds (distance) C4'-P energy: -15.778
bonds (distance) P-C4' energy: -17.300
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -24.476
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -164.969476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.969476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.066604 (E_RNA)
where:
Base-Base interactions energy: -101.852
where: short stacking energy: -57.480
Base-Backbone interact. energy: 0.686
local terms energy: -63.899954
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -11.642
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -14.119
Dist. restrs. and SS energy: 0.097 (S_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: -171.108708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.108708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.113313 (E_RNA)
where:
Base-Base interactions energy: -100.734
where: short stacking energy: -60.525
Base-Backbone interact. energy: -0.424
local terms energy: -69.955316
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -14.596
Dist. restrs. and SS energy: 0.005 (S_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: 112
Temperature: 1.050000
Total energy: -158.922613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.922613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.922613 (E_RNA)
where:
Base-Base interactions energy: -91.658
where: short stacking energy: -50.121
Base-Backbone interact. energy: -1.255
local terms energy: -66.009281
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: -8.416
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: 5, replica: 6
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -166.733726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.733726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.069490 (E_RNA)
where:
Base-Base interactions energy: -96.701
where: short stacking energy: -58.881
Base-Backbone interact. energy: -0.011
local terms energy: -70.357409
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -14.223
Dist. restrs. and SS energy: 0.336 (S_DIST_RNA)
chem. 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: -161.446000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.446000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.526874 (E_RNA)
where:
Base-Base interactions energy: -95.786
where: short stacking energy: -45.360
Base-Backbone interact. energy: -0.117
local terms energy: -65.623748
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -9.704
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -12.556
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -145.364488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.364488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.380624 (E_RNA)
where:
Base-Base interactions energy: -77.455
where: short stacking energy: -44.747
Base-Backbone interact. energy: -0.088
local terms energy: -67.837886
where:
bonds (distance) C4'-P energy: -16.448
bonds (distance) P-C4' energy: -17.391
flat angles C4'-P-C4' energy: -8.840
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -13.914
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -130.958388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.958388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.988086 (E_RNA)
where:
Base-Base interactions energy: -81.338
where: short stacking energy: -32.690
Base-Backbone interact. energy: -1.040
local terms energy: -48.609992
where:
bonds (distance) C4'-P energy: -12.656
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -1.407
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -120.699460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.699460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.873486 (E_RNA)
where:
Base-Base interactions energy: -66.287
where: short stacking energy: -37.431
Base-Backbone interact. energy: 0.474
local terms energy: -55.060445
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -3.687
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -99.786382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.786382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.151410 (E_RNA)
where:
Base-Base interactions energy: -56.312
where: short stacking energy: -29.053
Base-Backbone interact. energy: -0.288
local terms energy: -43.552006
where:
bonds (distance) C4'-P energy: -9.452
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -7.421
flat angles P-C4'-P energy: -6.781
tors. eta vs tors. theta energy: -5.673
Dist. restrs. and SS energy: 0.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -203.998624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.998624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.163810 (E_RNA)
where:
Base-Base interactions energy: -126.135
where: short stacking energy: -70.157
Base-Backbone interact. energy: 0.850
local terms energy: -78.878901
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -17.769
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -174.051162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.051162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.088978 (E_RNA)
where:
Base-Base interactions energy: -104.611
where: short stacking energy: -63.897
Base-Backbone interact. energy: -0.208
local terms energy: -69.269811
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -11.430
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -173.537074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.537074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.800411 (E_RNA)
where:
Base-Base interactions energy: -108.344
where: short stacking energy: -65.671
Base-Backbone interact. energy: 0.018
local terms energy: -65.475306
where:
bonds (distance) C4'-P energy: -9.474
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -12.902
Dist. restrs. and SS energy: 0.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -160.777229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.777229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.098365 (E_RNA)
where:
Base-Base interactions energy: -95.106
where: short stacking energy: -50.449
Base-Backbone interact. energy: -0.001
local terms energy: -65.990950
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -7.957
Dist. restrs. and SS energy: 0.321 (S_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: 113
Temperature: 1.100000
Total energy: -167.368440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.368440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.374315 (E_RNA)
where:
Base-Base interactions energy: -102.462
where: short stacking energy: -56.410
Base-Backbone interact. energy: -0.115
local terms energy: -64.796858
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -15.834
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -5.491
tors. eta vs tors. theta energy: -14.304
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -154.968699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.968699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.968699 (E_RNA)
where:
Base-Base interactions energy: -90.199
where: short stacking energy: -49.133
Base-Backbone interact. energy: -0.202
local terms energy: -64.567608
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -12.131
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -151.424166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.424166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.489572 (E_RNA)
where:
Base-Base interactions energy: -91.891
where: short stacking energy: -45.701
Base-Backbone interact. energy: -0.008
local terms energy: -59.591031
where:
bonds (distance) C4'-P energy: -9.092
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -11.985
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -126.767445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.767445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.887921 (E_RNA)
where:
Base-Base interactions energy: -65.774
where: short stacking energy: -37.477
Base-Backbone interact. energy: -0.026
local terms energy: -61.087724
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -7.058
tors. eta vs tors. theta energy: -6.868
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -133.322933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.322933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.070186 (E_RNA)
where:
Base-Base interactions energy: -80.353
where: short stacking energy: -37.546
Base-Backbone interact. energy: -0.751
local terms energy: -52.966615
where:
bonds (distance) C4'-P energy: -11.108
bonds (distance) P-C4' energy: -12.397
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -9.030
Dist. restrs. and SS energy: 0.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -124.757181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.757181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.945124 (E_RNA)
where:
Base-Base interactions energy: -77.508
where: short stacking energy: -41.959
Base-Backbone interact. energy: -0.138
local terms energy: -47.299113
where:
bonds (distance) C4'-P energy: -16.469
bonds (distance) P-C4' energy: -11.549
flat angles C4'-P-C4' energy: -9.678
flat angles P-C4'-P energy: -3.020
tors. eta vs tors. theta energy: -6.584
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -207.816991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.816991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.854705 (E_RNA)
where:
Base-Base interactions energy: -125.337
where: short stacking energy: -77.496
Base-Backbone interact. energy: -1.047
local terms energy: -81.470766
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -21.308
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -195.363384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.363384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.430695 (E_RNA)
where:
Base-Base interactions energy: -118.435
where: short stacking energy: -72.521
Base-Backbone interact. energy: -0.089
local terms energy: -76.906341
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -17.761
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -159.185127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.185127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.237141 (E_RNA)
where:
Base-Base interactions energy: -95.571
where: short stacking energy: -55.097
Base-Backbone interact. energy: -0.080
local terms energy: -63.586645
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -10.508
flat angles C4'-P-C4' energy: -18.542
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -9.652
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -163.059779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.059779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.208325 (E_RNA)
where:
Base-Base interactions energy: -92.467
where: short stacking energy: -51.883
Base-Backbone interact. energy: -0.240
local terms energy: -70.500894
where:
bonds (distance) C4'-P energy: -18.068
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -11.077
Dist. restrs. and SS energy: 0.149 (S_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: 114
Temperature: 1.100000
Total energy: -172.059669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.059669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.283506 (E_RNA)
where:
Base-Base interactions energy: -102.957
where: short stacking energy: -57.529
Base-Backbone interact. energy: -0.031
local terms energy: -69.295741
where:
bonds (distance) C4'-P energy: -16.655
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -14.451
Dist. restrs. and SS energy: 0.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -149.399072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.399072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.442908 (E_RNA)
where:
Base-Base interactions energy: -81.387
where: short stacking energy: -46.027
Base-Backbone interact. energy: -0.319
local terms energy: -67.736200
where:
bonds (distance) C4'-P energy: -10.701
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -12.428
tors. eta vs tors. theta energy: -11.976
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -121.769282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.769282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.824379 (E_RNA)
where:
Base-Base interactions energy: -60.037
where: short stacking energy: -31.844
Base-Backbone interact. energy: 0.521
local terms energy: -62.308743
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -3.357
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -139.528134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.528134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.563990 (E_RNA)
where:
Base-Base interactions energy: -83.585
where: short stacking energy: -45.449
Base-Backbone interact. energy: -0.106
local terms energy: -55.873157
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -7.325
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -121.859147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.859147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.120523 (E_RNA)
where:
Base-Base interactions energy: -69.191
where: short stacking energy: -38.916
Base-Backbone interact. energy: -0.145
local terms energy: -52.785109
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -2.181
Dist. restrs. and SS energy: 0.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -150.542307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.542307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.964684 (E_RNA)
where:
Base-Base interactions energy: -93.650
where: short stacking energy: -46.092
Base-Backbone interact. energy: -0.111
local terms energy: -57.203859
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -8.915
Dist. restrs. and SS energy: 0.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -181.023071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.023071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.205371 (E_RNA)
where:
Base-Base interactions energy: -104.499
where: short stacking energy: -54.392
Base-Backbone interact. energy: -0.061
local terms energy: -76.645904
where:
bonds (distance) C4'-P energy: -15.554
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -19.606
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -186.250389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.250389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.268031 (E_RNA)
where:
Base-Base interactions energy: -109.617
where: short stacking energy: -57.252
Base-Backbone interact. energy: -0.190
local terms energy: -76.460478
where:
bonds (distance) C4'-P energy: -19.036
bonds (distance) P-C4' energy: -17.600
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -12.382
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -167.332212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.332212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.367337 (E_RNA)
where:
Base-Base interactions energy: -93.637
where: short stacking energy: -51.123
Base-Backbone interact. energy: -0.067
local terms energy: -73.663937
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -14.509
Dist. restrs. and SS energy: 0.035 (S_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: 115
Temperature: 1.050000
Total energy: -180.929254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.929254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.044437 (E_RNA)
where:
Base-Base interactions energy: -114.956
where: short stacking energy: -64.397
Base-Backbone interact. energy: -0.228
local terms energy: -65.860705
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -5.186
tors. eta vs tors. theta energy: -15.319
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. 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: -163.688885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.688885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.851131 (E_RNA)
where:
Base-Base interactions energy: -99.582
where: short stacking energy: -54.843
Base-Backbone interact. energy: -0.155
local terms energy: -64.114253
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -11.592
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -133.879221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.879221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.879221 (E_RNA)
where:
Base-Base interactions energy: -74.356
where: short stacking energy: -40.455
Base-Backbone interact. energy: -0.207
local terms energy: -59.315403
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -9.769
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: 1
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -127.943876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.943876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.943876 (E_RNA)
where:
Base-Base interactions energy: -78.596
where: short stacking energy: -42.552
Base-Backbone interact. energy: -0.312
local terms energy: -49.036757
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -9.298
flat angles P-C4'-P energy: -6.728
tors. eta vs tors. theta energy: -9.131
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -127.505851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.505851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.540094 (E_RNA)
where:
Base-Base interactions energy: -70.922
where: short stacking energy: -40.860
Base-Backbone interact. energy: -0.165
local terms energy: -56.452424
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -8.634
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -5.110
Dist. restrs. and SS energy: 0.034 (S_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: 115
Temperature: 1.300000
Total energy: -131.872874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.872874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.872874 (E_RNA)
where:
Base-Base interactions energy: -80.137
where: short stacking energy: -33.436
Base-Backbone interact. energy: -0.159
local terms energy: -51.576532
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -12.369
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: -3.377
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -116.359230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.359230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.359230 (E_RNA)
where:
Base-Base interactions energy: -65.266
where: short stacking energy: -34.617
Base-Backbone interact. energy: -0.278
local terms energy: -50.814863
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -12.066
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -2.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -193.220855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.220855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.220855 (E_RNA)
where:
Base-Base interactions energy: -117.131
where: short stacking energy: -69.013
Base-Backbone interact. energy: -0.042
local terms energy: -76.048138
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -13.674
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -17.395
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -189.564113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.564113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.564113 (E_RNA)
where:
Base-Base interactions energy: -110.530
where: short stacking energy: -71.455
Base-Backbone interact. energy: -0.002
local terms energy: -79.032439
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -17.271
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -180.562420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.562420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.987336 (E_RNA)
where:
Base-Base interactions energy: -109.604
where: short stacking energy: -58.845
Base-Backbone interact. energy: 0.967
local terms energy: -72.350456
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -12.010
tors. eta vs tors. theta energy: -12.826
Dist. restrs. and SS energy: 0.425 (S_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: 116
Temperature: 1.050000
Total energy: -161.893790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.893790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.986292 (E_RNA)
where:
Base-Base interactions energy: -101.562
where: short stacking energy: -54.099
Base-Backbone interact. energy: -0.338
local terms energy: -60.086286
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -10.600
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. 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: -163.863640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.863640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.863640 (E_RNA)
where:
Base-Base interactions energy: -95.783
where: short stacking energy: -50.708
Base-Backbone interact. energy: -0.107
local terms energy: -67.973359
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -12.016
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -14.091
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: 4
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -169.295273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.295273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.513939 (E_RNA)
where:
Base-Base interactions energy: -108.695
where: short stacking energy: -50.303
Base-Backbone interact. energy: -0.480
local terms energy: -60.338821
where:
bonds (distance) C4'-P energy: -10.119
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -6.667
tors. eta vs tors. theta energy: -13.223
Dist. restrs. and SS energy: 0.219 (S_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: 116
Temperature: 1.200000
Total energy: -131.593698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.593698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.626791 (E_RNA)
where:
Base-Base interactions energy: -74.501
where: short stacking energy: -43.005
Base-Backbone interact. energy: -0.733
local terms energy: -56.393285
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -4.149
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -122.443025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.443025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.542717 (E_RNA)
where:
Base-Base interactions energy: -69.447
where: short stacking energy: -33.169
Base-Backbone interact. energy: -0.237
local terms energy: -52.858627
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -8.330
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -6.233
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -121.508033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.508033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.656663 (E_RNA)
where:
Base-Base interactions energy: -67.236
where: short stacking energy: -39.742
Base-Backbone interact. energy: 0.116
local terms energy: -54.537038
where:
bonds (distance) C4'-P energy: -11.509
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -5.044
Dist. restrs. and SS energy: 0.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -94.758067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.758067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.778344 (E_RNA)
where:
Base-Base interactions energy: -49.041
where: short stacking energy: -25.430
Base-Backbone interact. energy: -0.194
local terms energy: -45.543129
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -10.158
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: 1.542
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -207.340120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.340120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.644463 (E_RNA)
where:
Base-Base interactions energy: -131.515
where: short stacking energy: -77.116
Base-Backbone interact. energy: -0.265
local terms energy: -75.864786
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -20.111
Dist. restrs. and SS energy: 0.304 (S_DIST_RNA)
chem. 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: -186.360895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.360895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.362535 (E_RNA)
where:
Base-Base interactions energy: -106.127
where: short stacking energy: -70.397
Base-Backbone interact. energy: -0.084
local terms energy: -80.151554
where:
bonds (distance) C4'-P energy: -15.256
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -17.777
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -19.382
Dist. restrs. and SS energy: 0.002 (S_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: -175.582860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.582860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.582860 (E_RNA)
where:
Base-Base interactions energy: -108.767
where: short stacking energy: -51.517
Base-Backbone interact. energy: -0.009
local terms energy: -66.807017
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -12.687
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -160.658837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.658837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.466865 (E_RNA)
where:
Base-Base interactions energy: -99.718
where: short stacking energy: -52.097
Base-Backbone interact. energy: -0.015
local terms energy: -61.733491
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -11.023
Dist. restrs. and SS energy: 0.808 (S_DIST_RNA)
chem. 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: -166.652351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.652351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.692755 (E_RNA)
where:
Base-Base interactions energy: -99.908
where: short stacking energy: -55.439
Base-Backbone interact. energy: -0.059
local terms energy: -66.726452
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -11.987
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -18.317
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -170.134032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.134032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.136616 (E_RNA)
where:
Base-Base interactions energy: -102.582
where: short stacking energy: -61.555
Base-Backbone interact. energy: -0.063
local terms energy: -67.492076
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -14.336
Dist. restrs. and SS energy: 0.003 (S_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: 117
Temperature: 1.200000
Total energy: -149.786346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.786346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.786346 (E_RNA)
where:
Base-Base interactions energy: -85.895
where: short stacking energy: -42.537
Base-Backbone interact. energy: -0.105
local terms energy: -63.787162
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: -9.358
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -120.209375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.209375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.234729 (E_RNA)
where:
Base-Base interactions energy: -76.234
where: short stacking energy: -36.974
Base-Backbone interact. energy: -0.226
local terms energy: -43.775189
where:
bonds (distance) C4'-P energy: -9.439
bonds (distance) P-C4' energy: -9.487
flat angles C4'-P-C4' energy: -10.986
flat angles P-C4'-P energy: -5.504
tors. eta vs tors. theta energy: -8.359
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -125.084735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.084735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.199292 (E_RNA)
where:
Base-Base interactions energy: -72.694
where: short stacking energy: -39.633
Base-Backbone interact. energy: -0.371
local terms energy: -52.134563
where:
bonds (distance) C4'-P energy: -9.564
bonds (distance) P-C4' energy: -10.007
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -5.056
tors. eta vs tors. theta energy: -12.710
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -134.522870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.522870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.522870 (E_RNA)
where:
Base-Base interactions energy: -78.028
where: short stacking energy: -34.058
Base-Backbone interact. energy: -0.130
local terms energy: -56.364245
where:
bonds (distance) C4'-P energy: -15.662
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -5.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -203.907629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.907629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.942903 (E_RNA)
where:
Base-Base interactions energy: -125.767
where: short stacking energy: -73.988
Base-Backbone interact. energy: -0.022
local terms energy: -78.153548
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -22.745
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. 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: -194.852713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.852713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.874822 (E_RNA)
where:
Base-Base interactions energy: -114.710
where: short stacking energy: -70.447
Base-Backbone interact. energy: 0.620
local terms energy: -80.784684
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -20.264
flat angles P-C4'-P energy: -14.004
tors. eta vs tors. theta energy: -19.913
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -181.358096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.358096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.588310 (E_RNA)
where:
Base-Base interactions energy: -105.650
where: short stacking energy: -55.167
Base-Backbone interact. energy: -1.549
local terms energy: -74.389405
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -12.923
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -168.348310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.348310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.399173 (E_RNA)
where:
Base-Base interactions energy: -93.395
where: short stacking energy: -51.445
Base-Backbone interact. energy: -0.364
local terms energy: -74.640487
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -13.488
tors. eta vs tors. theta energy: -14.490
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -163.999100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.999100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.236981 (E_RNA)
where:
Base-Base interactions energy: -94.129
where: short stacking energy: -51.372
Base-Backbone interact. energy: 0.078
local terms energy: -70.186123
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -10.686
flat angles C4'-P-C4' energy: -17.509
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -16.337
Dist. restrs. and SS energy: 0.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -154.289749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.289749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.685953 (E_RNA)
where:
Base-Base interactions energy: -87.823
where: short stacking energy: -50.552
Base-Backbone interact. energy: -0.615
local terms energy: -66.247927
where:
bonds (distance) C4'-P energy: -11.890
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -12.035
Dist. restrs. and SS energy: 0.396 (S_DIST_RNA)
chem. 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: -141.638106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.638106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.638106 (E_RNA)
where:
Base-Base interactions energy: -77.975
where: short stacking energy: -39.784
Base-Backbone interact. energy: -0.749
local terms energy: -62.913563
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -4.699
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: 7
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -147.537573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.537573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.537573 (E_RNA)
where:
Base-Base interactions energy: -88.552
where: short stacking energy: -47.555
Base-Backbone interact. energy: -0.012
local terms energy: -58.973625
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -4.486
tors. eta vs tors. theta energy: -7.809
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: 9, replica: 3
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -135.145987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.145987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.145987 (E_RNA)
where:
Base-Base interactions energy: -80.896
where: short stacking energy: -44.251
Base-Backbone interact. energy: 0.546
local terms energy: -54.796409
where:
bonds (distance) C4'-P energy: -8.065
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -8.139
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: 1
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -132.273824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.273824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.425013 (E_RNA)
where:
Base-Base interactions energy: -77.223
where: short stacking energy: -39.616
Base-Backbone interact. energy: -0.214
local terms energy: -54.988364
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -9.542
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -9.011
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -200.407335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.407335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.821581 (E_RNA)
where:
Base-Base interactions energy: -128.566
where: short stacking energy: -74.957
Base-Backbone interact. energy: -0.094
local terms energy: -72.161108
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -10.963
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -21.553
Dist. restrs. and SS energy: 0.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -185.872936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.872936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.283162 (E_RNA)
where:
Base-Base interactions energy: -110.924
where: short stacking energy: -61.226
Base-Backbone interact. energy: -0.046
local terms energy: -75.312553
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -18.347
Dist. restrs. and SS energy: 0.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -185.485629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.485629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.503510 (E_RNA)
where:
Base-Base interactions energy: -108.084
where: short stacking energy: -64.176
Base-Backbone interact. energy: -0.052
local terms energy: -77.367701
where:
bonds (distance) C4'-P energy: -15.343
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -18.120
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -178.778273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.778273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.805519 (E_RNA)
where:
Base-Base interactions energy: -111.678
where: short stacking energy: -58.974
Base-Backbone interact. energy: -0.051
local terms energy: -67.076111
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -11.776
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -14.033
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -159.148306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.148306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.450235 (E_RNA)
where:
Base-Base interactions energy: -91.942
where: short stacking energy: -50.182
Base-Backbone interact. energy: -0.207
local terms energy: -67.300536
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -14.863
Dist. restrs. and SS energy: 0.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -144.776953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.776953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.853045 (E_RNA)
where:
Base-Base interactions energy: -85.211
where: short stacking energy: -47.509
Base-Backbone interact. energy: -0.126
local terms energy: -59.515592
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -11.626
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -6.959
tors. eta vs tors. theta energy: -10.248
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. 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: -131.564039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.564039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.590158 (E_RNA)
where:
Base-Base interactions energy: -66.498
where: short stacking energy: -42.458
Base-Backbone interact. energy: -0.226
local terms energy: -64.866444
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -8.762
Dist. restrs. and SS energy: 0.026 (S_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: 119
Temperature: 1.250000
Total energy: -126.308750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.308750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.707924 (E_RNA)
where:
Base-Base interactions energy: -71.766
where: short stacking energy: -44.244
Base-Backbone interact. energy: -0.105
local terms energy: -54.837463
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -17.193
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -6.795
tors. eta vs tors. theta energy: -6.569
Dist. restrs. and SS energy: 0.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -129.872786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.872786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.872786 (E_RNA)
where:
Base-Base interactions energy: -74.165
where: short stacking energy: -41.240
Base-Backbone interact. energy: -0.194
local terms energy: -55.513491
where:
bonds (distance) C4'-P energy: -9.233
bonds (distance) P-C4' energy: -13.882
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -7.833
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -117.778448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.778448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.802594 (E_RNA)
where:
Base-Base interactions energy: -64.925
where: short stacking energy: -30.142
Base-Backbone interact. energy: 0.544
local terms energy: -53.421835
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -3.160
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -196.279344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.279344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.312735 (E_RNA)
where:
Base-Base interactions energy: -118.808
where: short stacking energy: -62.965
Base-Backbone interact. energy: -0.047
local terms energy: -77.457614
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -13.818
tors. eta vs tors. theta energy: -18.006
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -197.330373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.330373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.729444 (E_RNA)
where:
Base-Base interactions energy: -120.983
where: short stacking energy: -70.569
Base-Backbone interact. energy: -0.641
local terms energy: -76.105337
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -20.019
Dist. restrs. and SS energy: 0.399 (S_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: -186.226956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.226956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.429897 (E_RNA)
where:
Base-Base interactions energy: -111.953
where: short stacking energy: -61.368
Base-Backbone interact. energy: -0.016
local terms energy: -74.460934
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -16.330
Dist. restrs. and SS energy: 0.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -171.742455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.742455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.742455 (E_RNA)
where:
Base-Base interactions energy: -100.451
where: short stacking energy: -56.851
Base-Backbone interact. energy: -0.560
local terms energy: -70.731807
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -15.062
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: 6
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -155.638994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.638994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.797740 (E_RNA)
where:
Base-Base interactions energy: -96.920
where: short stacking energy: -45.848
Base-Backbone interact. energy: -0.016
local terms energy: -58.861823
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: -10.636
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -157.974651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.974651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.292293 (E_RNA)
where:
Base-Base interactions energy: -98.628
where: short stacking energy: -51.793
Base-Backbone interact. energy: -0.050
local terms energy: -59.614892
where:
bonds (distance) C4'-P energy: -9.691
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -10.860
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -14.872
Dist. restrs. and SS energy: 0.318 (S_DIST_RNA)
chem. 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: -127.574286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.574286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.624589 (E_RNA)
where:
Base-Base interactions energy: -69.112
where: short stacking energy: -33.181
Base-Backbone interact. energy: -0.322
local terms energy: -58.190141
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -8.937
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -3.628
Dist. restrs. and SS energy: 0.050 (S_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: 120
Temperature: 1.250000
Total energy: -125.602644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.602644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.602644 (E_RNA)
where:
Base-Base interactions energy: -71.348
where: short stacking energy: -36.868
Base-Backbone interact. energy: -0.469
local terms energy: -53.785434
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -3.295
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: 1
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -138.815031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.815031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.856267 (E_RNA)
where:
Base-Base interactions energy: -75.799
where: short stacking energy: -41.920
Base-Backbone interact. energy: -0.062
local terms energy: -62.994467
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -11.462
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -8.942
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -118.943152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.943152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.961013 (E_RNA)
where:
Base-Base interactions energy: -73.506
where: short stacking energy: -35.032
Base-Backbone interact. energy: -0.141
local terms energy: -45.313947
where:
bonds (distance) C4'-P energy: -3.764
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -0.584
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -201.041446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.041446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.041446 (E_RNA)
where:
Base-Base interactions energy: -113.415
where: short stacking energy: -66.499
Base-Backbone interact. energy: -0.007
local terms energy: -87.619472
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -22.285
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -184.220170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.220170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.220170 (E_RNA)
where:
Base-Base interactions energy: -107.592
where: short stacking energy: -63.080
Base-Backbone interact. energy: -0.207
local terms energy: -76.421502
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -18.023
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: 3, replica: 2
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -178.342495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.342495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.342495 (E_RNA)
where:
Base-Base interactions energy: -96.452
where: short stacking energy: -52.945
Base-Backbone interact. energy: -1.654
local terms energy: -80.236336
where:
bonds (distance) C4'-P energy: -14.312
bonds (distance) P-C4' energy: -19.783
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -17.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -162.998496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.998496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.017348 (E_RNA)
where:
Base-Base interactions energy: -93.072
where: short stacking energy: -49.187
Base-Backbone interact. energy: 0.199
local terms energy: -70.144040
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -12.361
Dist. restrs. and SS energy: 0.019 (S_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: 121
Temperature: 1.100000
Total energy: -159.817770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.817770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.200957 (E_RNA)
where:
Base-Base interactions energy: -95.681
where: short stacking energy: -48.995
Base-Backbone interact. energy: 1.866
local terms energy: -66.386178
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -14.589
Dist. restrs. and SS energy: 0.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -136.463387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.463387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.473352 (E_RNA)
where:
Base-Base interactions energy: -70.136
where: short stacking energy: -38.395
Base-Backbone interact. energy: -0.075
local terms energy: -66.262956
where:
bonds (distance) C4'-P energy: -10.597
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -12.392
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -147.183975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.183975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.183975 (E_RNA)
where:
Base-Base interactions energy: -85.050
where: short stacking energy: -52.997
Base-Backbone interact. energy: -0.277
local terms energy: -61.857771
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -9.426
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -130.420906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.420906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.552984 (E_RNA)
where:
Base-Base interactions energy: -76.714
where: short stacking energy: -31.790
Base-Backbone interact. energy: -0.018
local terms energy: -53.821903
where:
bonds (distance) C4'-P energy: -9.537
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -5.122
tors. eta vs tors. theta energy: -10.286
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -143.106919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.106919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.603690 (E_RNA)
where:
Base-Base interactions energy: -87.293
where: short stacking energy: -42.180
Base-Backbone interact. energy: -0.184
local terms energy: -56.126811
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -8.318
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -10.502
Dist. restrs. and SS energy: 0.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -120.394492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.394492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.403080 (E_RNA)
where:
Base-Base interactions energy: -65.081
where: short stacking energy: -36.286
Base-Backbone interact. energy: -0.030
local terms energy: -55.291938
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -6.250
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -192.472947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.472947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.472947 (E_RNA)
where:
Base-Base interactions energy: -117.223
where: short stacking energy: -71.606
Base-Backbone interact. energy: -0.001
local terms energy: -75.248546
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -19.458
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -192.918440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.918440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.981402 (E_RNA)
where:
Base-Base interactions energy: -112.842
where: short stacking energy: -67.881
Base-Backbone interact. energy: -0.020
local terms energy: -80.119313
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -19.927
Dist. restrs. and SS energy: 0.063 (S_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: 122
Temperature: 1.000000
Total energy: -182.628003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.628003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.643013 (E_RNA)
where:
Base-Base interactions energy: -113.390
where: short stacking energy: -72.107
Base-Backbone interact. energy: -0.034
local terms energy: -69.219156
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -5.963
tors. eta vs tors. theta energy: -18.319
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -181.798198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.798198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.798198 (E_RNA)
where:
Base-Base interactions energy: -111.429
where: short stacking energy: -62.496
Base-Backbone interact. energy: -0.037
local terms energy: -70.332122
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -15.198
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: 8
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -146.129399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.129399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.246853 (E_RNA)
where:
Base-Base interactions energy: -87.593
where: short stacking energy: -48.622
Base-Backbone interact. energy: -0.087
local terms energy: -58.567036
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: -8.785
Dist. restrs. and SS energy: 0.117 (S_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: 122
Temperature: 1.150000
Total energy: -167.884684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.884684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.915437 (E_RNA)
where:
Base-Base interactions energy: -102.045
where: short stacking energy: -58.550
Base-Backbone interact. energy: -0.005
local terms energy: -65.865630
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -16.176
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -142.491000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.491000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.491000 (E_RNA)
where:
Base-Base interactions energy: -82.314
where: short stacking energy: -49.628
Base-Backbone interact. energy: -0.256
local terms energy: -59.920988
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -9.916
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -13.527
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: 8, replica: 4
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -155.640127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.640127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.719726 (E_RNA)
where:
Base-Base interactions energy: -85.567
where: short stacking energy: -48.950
Base-Backbone interact. energy: -0.033
local terms energy: -70.119950
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -17.965
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -9.503
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -119.644239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.644239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.673206 (E_RNA)
where:
Base-Base interactions energy: -66.394
where: short stacking energy: -23.748
Base-Backbone interact. energy: -0.161
local terms energy: -53.118495
where:
bonds (distance) C4'-P energy: -9.999
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: -5.444
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -123.570711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.570711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.594904 (E_RNA)
where:
Base-Base interactions energy: -69.428
where: short stacking energy: -30.040
Base-Backbone interact. energy: -0.181
local terms energy: -53.985577
where:
bonds (distance) C4'-P energy: -12.429
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -1.652
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -206.558059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.558059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.118609 (E_RNA)
where:
Base-Base interactions energy: -127.316
where: short stacking energy: -79.098
Base-Backbone interact. energy: -0.035
local terms energy: -79.767301
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -21.799
Dist. restrs. and SS energy: 0.561 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -197.601459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.601459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.740159 (E_RNA)
where:
Base-Base interactions energy: -119.972
where: short stacking energy: -73.235
Base-Backbone interact. energy: -0.001
local terms energy: -77.767435
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -15.196
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -12.950
tors. eta vs tors. theta energy: -19.413
Dist. restrs. and SS energy: 0.139 (S_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: 123
Temperature: 1.000000
Total energy: -177.434911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.434911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.617556 (E_RNA)
where:
Base-Base interactions energy: -106.599
where: short stacking energy: -63.932
Base-Backbone interact. energy: -0.008
local terms energy: -71.011041
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -15.660
Dist. restrs. and SS energy: 0.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -182.427150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.427150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.546619 (E_RNA)
where:
Base-Base interactions energy: -109.062
where: short stacking energy: -55.797
Base-Backbone interact. energy: -0.044
local terms energy: -73.440482
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -13.970
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -174.801029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.801029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.000033 (E_RNA)
where:
Base-Base interactions energy: -101.129
where: short stacking energy: -52.425
Base-Backbone interact. energy: -0.000
local terms energy: -73.871114
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -15.172
Dist. restrs. and SS energy: 0.199 (S_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: 123
Temperature: 1.150000
Total energy: -177.811170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.811170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.253412 (E_RNA)
where:
Base-Base interactions energy: -107.033
where: short stacking energy: -60.564
Base-Backbone interact. energy: -0.002
local terms energy: -71.218594
where:
bonds (distance) C4'-P energy: -6.558
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -17.179
Dist. restrs. and SS energy: 0.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -141.370703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.370703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.933527 (E_RNA)
where:
Base-Base interactions energy: -82.997
where: short stacking energy: -39.780
Base-Backbone interact. energy: 0.878
local terms energy: -59.815331
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -8.854
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -9.918
Dist. restrs. and SS energy: 0.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -127.392574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.392574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.481814 (E_RNA)
where:
Base-Base interactions energy: -70.243
where: short stacking energy: -39.548
Base-Backbone interact. energy: -0.018
local terms energy: -57.221150
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -3.096
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -133.642384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.642384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.658438 (E_RNA)
where:
Base-Base interactions energy: -76.031
where: short stacking energy: -38.284
Base-Backbone interact. energy: -0.256
local terms energy: -57.371166
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -11.812
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -7.628
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -113.248047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.248047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.257234 (E_RNA)
where:
Base-Base interactions energy: -57.651
where: short stacking energy: -30.482
Base-Backbone interact. energy: -0.152
local terms energy: -55.453374
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -4.364
tors. eta vs tors. theta energy: -8.518
Dist. restrs. and SS energy: 0.009 (S_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: 124
Temperature: 0.900000
Total energy: -188.619864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.619864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.628389 (E_RNA)
where:
Base-Base interactions energy: -111.051
where: short stacking energy: -65.264
Base-Backbone interact. energy: -0.001
local terms energy: -77.576121
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -18.188
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -186.813227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.813227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.813227 (E_RNA)
where:
Base-Base interactions energy: -104.066
where: short stacking energy: -60.413
Base-Backbone interact. energy: -0.585
local terms energy: -82.162008
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -17.848
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -183.587428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.587428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.587428 (E_RNA)
where:
Base-Base interactions energy: -115.176
where: short stacking energy: -67.950
Base-Backbone interact. energy: 1.699
local terms energy: -70.109901
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -15.952
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -171.941143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.941143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.239203 (E_RNA)
where:
Base-Base interactions energy: -105.297
where: short stacking energy: -63.420
Base-Backbone interact. energy: -0.076
local terms energy: -66.866242
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -18.131
Dist. restrs. and SS energy: 0.298 (S_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: 124
Temperature: 1.100000
Total energy: -155.097564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.097564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.097564 (E_RNA)
where:
Base-Base interactions energy: -87.151
where: short stacking energy: -50.044
Base-Backbone interact. energy: -1.183
local terms energy: -66.762638
where:
bonds (distance) C4'-P energy: -10.371
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -18.754
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -10.075
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -148.803005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.803005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.803005 (E_RNA)
where:
Base-Base interactions energy: -93.652
where: short stacking energy: -50.536
Base-Backbone interact. energy: -0.018
local terms energy: -55.132773
where:
bonds (distance) C4'-P energy: -10.081
bonds (distance) P-C4' energy: -9.755
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -9.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -141.602456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.602456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.714872 (E_RNA)
where:
Base-Base interactions energy: -83.238
where: short stacking energy: -53.624
Base-Backbone interact. energy: -0.004
local terms energy: -58.473835
where:
bonds (distance) C4'-P energy: -15.624
bonds (distance) P-C4' energy: -6.100
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: -14.688
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -144.835265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.835265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.912001 (E_RNA)
where:
Base-Base interactions energy: -82.335
where: short stacking energy: -42.579
Base-Backbone interact. energy: -0.008
local terms energy: -63.568444
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -7.633
tors. eta vs tors. theta energy: -11.136
Dist. restrs. and SS energy: 1.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -138.233627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.233627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.752798 (E_RNA)
where:
Base-Base interactions energy: -74.126
where: short stacking energy: -39.892
Base-Backbone interact. energy: 0.049
local terms energy: -64.676522
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -12.222
Dist. restrs. and SS energy: 0.519 (S_DIST_RNA)
chem. 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: -126.618809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.618809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.645332 (E_RNA)
where:
Base-Base interactions energy: -75.954
where: short stacking energy: -39.127
Base-Backbone interact. energy: -0.146
local terms energy: -50.545350
where:
bonds (distance) C4'-P energy: -9.357
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -5.460
Dist. restrs. and SS energy: 0.027 (S_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: 125
Temperature: 0.900000
Total energy: -189.784491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.784491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.272252 (E_RNA)
where:
Base-Base interactions energy: -108.267
where: short stacking energy: -67.336
Base-Backbone interact. energy: -0.711
local terms energy: -81.293926
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -19.635
Dist. restrs. and SS energy: 0.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -183.634063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.634063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.085526 (E_RNA)
where:
Base-Base interactions energy: -121.053
where: short stacking energy: -58.193
Base-Backbone interact. energy: -0.028
local terms energy: -63.004195
where:
bonds (distance) C4'-P energy: -7.543
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -14.660
Dist. restrs. and SS energy: 0.451 (S_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: 125
Temperature: 1.000000
Total energy: -157.608798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.608798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.608798 (E_RNA)
where:
Base-Base interactions energy: -85.827
where: short stacking energy: -45.239
Base-Backbone interact. energy: -0.233
local terms energy: -71.549584
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -10.685
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -165.193226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.193226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.193226 (E_RNA)
where:
Base-Base interactions energy: -97.493
where: short stacking energy: -54.933
Base-Backbone interact. energy: -0.730
local terms energy: -66.969596
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -18.207
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -9.295
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -162.795316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.795316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.895031 (E_RNA)
where:
Base-Base interactions energy: -94.477
where: short stacking energy: -61.384
Base-Backbone interact. energy: -0.005
local terms energy: -68.413112
where:
bonds (distance) C4'-P energy: -7.300
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -18.159
Dist. restrs. and SS energy: 0.100 (S_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: 125
Temperature: 1.150000
Total energy: -130.348231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.348231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.436041 (E_RNA)
where:
Base-Base interactions energy: -67.452
where: short stacking energy: -37.795
Base-Backbone interact. energy: -0.129
local terms energy: -62.855364
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -5.177
Dist. restrs. and SS energy: 0.088 (S_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: 125
Temperature: 1.200000
Total energy: -145.841552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.841552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.841552 (E_RNA)
where:
Base-Base interactions energy: -85.233
where: short stacking energy: -43.452
Base-Backbone interact. energy: -0.531
local terms energy: -60.077928
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -7.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -134.084544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.084544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.084544 (E_RNA)
where:
Base-Base interactions energy: -71.987
where: short stacking energy: -35.703
Base-Backbone interact. energy: -0.644
local terms energy: -61.453410
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: -5.231
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -123.816810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.816810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.872312 (E_RNA)
where:
Base-Base interactions energy: -69.336
where: short stacking energy: -40.134
Base-Backbone interact. energy: -0.149
local terms energy: -54.387187
where:
bonds (distance) C4'-P energy: -9.402
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -6.776
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. 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: -124.809996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.809996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.809996 (E_RNA)
where:
Base-Base interactions energy: -67.690
where: short stacking energy: -34.153
Base-Backbone interact. energy: -0.162
local terms energy: -56.958486
where:
bonds (distance) C4'-P energy: -11.417
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -8.940
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -203.197017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.197017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.244973 (E_RNA)
where:
Base-Base interactions energy: -122.486
where: short stacking energy: -65.806
Base-Backbone interact. energy: -0.021
local terms energy: -80.738158
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -19.229
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -188.466564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.466564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.471987 (E_RNA)
where:
Base-Base interactions energy: -112.074
where: short stacking energy: -65.462
Base-Backbone interact. energy: -0.095
local terms energy: -76.303052
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -18.596
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -172.554888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.554888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.554888 (E_RNA)
where:
Base-Base interactions energy: -108.171
where: short stacking energy: -56.999
Base-Backbone interact. energy: -0.088
local terms energy: -64.296478
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -7.211
tors. eta vs tors. theta energy: -14.139
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -168.371324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.371324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.372296 (E_RNA)
where:
Base-Base interactions energy: -98.497
where: short stacking energy: -53.235
Base-Backbone interact. energy: -0.304
local terms energy: -69.571595
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -17.317
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -12.089
Dist. restrs. and SS energy: 0.001 (S_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: 126
Temperature: 1.100000
Total energy: -161.991512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.991512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.991512 (E_RNA)
where:
Base-Base interactions energy: -98.779
where: short stacking energy: -58.805
Base-Backbone interact. energy: -0.137
local terms energy: -63.074990
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -6.609
tors. eta vs tors. theta energy: -14.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -147.687238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.687238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.789422 (E_RNA)
where:
Base-Base interactions energy: -89.852
where: short stacking energy: -50.954
Base-Backbone interact. energy: -0.054
local terms energy: -57.883627
where:
bonds (distance) C4'-P energy: -17.894
bonds (distance) P-C4' energy: -10.722
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -6.795
tors. eta vs tors. theta energy: -7.272
Dist. restrs. and SS energy: 0.102 (S_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: 126
Temperature: 1.200000
Total energy: -157.697328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.697328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.215996 (E_RNA)
where:
Base-Base interactions energy: -91.482
where: short stacking energy: -41.381
Base-Backbone interact. energy: -0.056
local terms energy: -66.677867
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -14.438
Dist. restrs. and SS energy: 0.519 (S_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: -148.939168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.939168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.093546 (E_RNA)
where:
Base-Base interactions energy: -80.105
where: short stacking energy: -39.146
Base-Backbone interact. energy: -0.212
local terms energy: -68.776256
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -16.426
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -10.246
Dist. restrs. and SS energy: 0.154 (S_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: 126
Temperature: 1.300000
Total energy: -138.673058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.673058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.679867 (E_RNA)
where:
Base-Base interactions energy: -77.312
where: short stacking energy: -48.927
Base-Backbone interact. energy: -0.101
local terms energy: -61.267335
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -12.500
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -7.784
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -126.335709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.335709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.354256 (E_RNA)
where:
Base-Base interactions energy: -71.790
where: short stacking energy: -30.686
Base-Backbone interact. energy: 1.223
local terms energy: -55.787224
where:
bonds (distance) C4'-P energy: -12.664
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -2.948
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -209.867892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.867892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.887810 (E_RNA)
where:
Base-Base interactions energy: -125.144
where: short stacking energy: -70.381
Base-Backbone interact. energy: -0.083
local terms energy: -84.661072
where:
bonds (distance) C4'-P energy: -18.362
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -20.684
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -191.985537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.985537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.985537 (E_RNA)
where:
Base-Base interactions energy: -117.392
where: short stacking energy: -73.095
Base-Backbone interact. energy: -0.031
local terms energy: -74.561981
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -20.793
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: 8
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -191.165025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.165025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.197517 (E_RNA)
where:
Base-Base interactions energy: -112.062
where: short stacking energy: -64.176
Base-Backbone interact. energy: -0.005
local terms energy: -79.130696
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -14.273
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -19.357
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -168.026034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.026034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.039468 (E_RNA)
where:
Base-Base interactions energy: -97.393
where: short stacking energy: -60.139
Base-Backbone interact. energy: -0.030
local terms energy: -70.616287
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -19.458
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -12.436
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. 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: -162.764531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.764531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.785591 (E_RNA)
where:
Base-Base interactions energy: -89.880
where: short stacking energy: -49.340
Base-Backbone interact. energy: 0.563
local terms energy: -73.469074
where:
bonds (distance) C4'-P energy: -17.633
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: -10.721
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -157.418207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.418207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.455190 (E_RNA)
where:
Base-Base interactions energy: -94.565
where: short stacking energy: -44.480
Base-Backbone interact. energy: -0.719
local terms energy: -62.171285
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -9.470
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -162.889763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.889763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.910572 (E_RNA)
where:
Base-Base interactions energy: -94.357
where: short stacking energy: -49.111
Base-Backbone interact. energy: -0.258
local terms energy: -68.295068
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -9.537
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -129.350987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.350987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.364651 (E_RNA)
where:
Base-Base interactions energy: -74.091
where: short stacking energy: -37.314
Base-Backbone interact. energy: -0.188
local terms energy: -55.085377
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -16.947
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -6.272
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. 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: -135.094691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.094691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.118549 (E_RNA)
where:
Base-Base interactions energy: -68.696
where: short stacking energy: -39.167
Base-Backbone interact. energy: -0.123
local terms energy: -66.298879
where:
bonds (distance) C4'-P energy: -15.699
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -6.375
tors. eta vs tors. theta energy: -11.352
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -117.550592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.550592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.646036 (E_RNA)
where:
Base-Base interactions energy: -71.504
where: short stacking energy: -32.281
Base-Backbone interact. energy: -1.455
local terms energy: -44.686691
where:
bonds (distance) C4'-P energy: -10.727
bonds (distance) P-C4' energy: -11.428
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -5.268
tors. eta vs tors. theta energy: -2.950
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -189.548308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.548308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.737938 (E_RNA)
where:
Base-Base interactions energy: -120.502
where: short stacking energy: -67.859
Base-Backbone interact. energy: -0.641
local terms energy: -68.594035
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -10.601
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -16.577
Dist. restrs. and SS energy: 0.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -201.526023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.526023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.162503 (E_RNA)
where:
Base-Base interactions energy: -118.936
where: short stacking energy: -75.893
Base-Backbone interact. energy: 0.632
local terms energy: -83.858429
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -16.527
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -13.132
tors. eta vs tors. theta energy: -23.268
Dist. restrs. and SS energy: 0.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -191.526697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.526697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.962945 (E_RNA)
where:
Base-Base interactions energy: -122.045
where: short stacking energy: -66.296
Base-Backbone interact. energy: -0.026
local terms energy: -69.892442
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -17.106
Dist. restrs. and SS energy: 0.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -160.694990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.694990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.694990 (E_RNA)
where:
Base-Base interactions energy: -93.549
where: short stacking energy: -45.044
Base-Backbone interact. energy: -0.369
local terms energy: -66.776487
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -12.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -174.540970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.540970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.675713 (E_RNA)
where:
Base-Base interactions energy: -117.390
where: short stacking energy: -60.692
Base-Backbone interact. energy: -0.040
local terms energy: -57.245089
where:
bonds (distance) C4'-P energy: -18.130
bonds (distance) P-C4' energy: -10.677
flat angles C4'-P-C4' energy: -6.378
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -14.921
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -133.277308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.277308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.277308 (E_RNA)
where:
Base-Base interactions energy: -75.127
where: short stacking energy: -44.119
Base-Backbone interact. energy: -0.225
local terms energy: -57.925487
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -6.302
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -140.134788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.134788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.147993 (E_RNA)
where:
Base-Base interactions energy: -77.171
where: short stacking energy: -46.352
Base-Backbone interact. energy: 1.344
local terms energy: -64.320269
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -9.152
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -151.090542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.090542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.217676 (E_RNA)
where:
Base-Base interactions energy: -85.648
where: short stacking energy: -49.418
Base-Backbone interact. energy: -0.010
local terms energy: -65.559121
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -14.040
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -12.959
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. 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: -135.080970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.080970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.111314 (E_RNA)
where:
Base-Base interactions energy: -76.380
where: short stacking energy: -47.474
Base-Backbone interact. energy: -0.227
local terms energy: -58.504385
where:
bonds (distance) C4'-P energy: -15.446
bonds (distance) P-C4' energy: -14.366
flat angles C4'-P-C4' energy: -10.935
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -9.361
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -120.068623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.068623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.198558 (E_RNA)
where:
Base-Base interactions energy: -65.001
where: short stacking energy: -37.293
Base-Backbone interact. energy: -0.281
local terms energy: -54.916748
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -9.307
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: -7.193
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -199.090149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.090149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.123987 (E_RNA)
where:
Base-Base interactions energy: -120.084
where: short stacking energy: -68.662
Base-Backbone interact. energy: -0.400
local terms energy: -78.639635
where:
bonds (distance) C4'-P energy: -16.884
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -19.708
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -182.699290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.699290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.727790 (E_RNA)
where:
Base-Base interactions energy: -109.902
where: short stacking energy: -65.300
Base-Backbone interact. energy: -0.141
local terms energy: -72.685339
where:
bonds (distance) C4'-P energy: -16.958
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -15.156
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -191.999618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.999618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.058331 (E_RNA)
where:
Base-Base interactions energy: -120.092
where: short stacking energy: -69.022
Base-Backbone interact. energy: 2.818
local terms energy: -74.784559
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -19.062
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -177.783423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.783423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.786138 (E_RNA)
where:
Base-Base interactions energy: -106.394
where: short stacking energy: -63.694
Base-Backbone interact. energy: -0.020
local terms energy: -71.372826
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -13.721
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -14.714
tors. eta vs tors. theta energy: -13.396
Dist. restrs. and SS energy: 0.003 (S_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: 129
Temperature: 1.100000
Total energy: -165.682765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.682765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.691897 (E_RNA)
where:
Base-Base interactions energy: -93.017
where: short stacking energy: -51.808
Base-Backbone interact. energy: -0.707
local terms energy: -71.967529
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -13.304
Dist. restrs. and SS energy: 0.009 (S_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: 129
Temperature: 1.150000
Total energy: -154.860615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.860615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.957935 (E_RNA)
where:
Base-Base interactions energy: -97.961
where: short stacking energy: -52.220
Base-Backbone interact. energy: -0.024
local terms energy: -56.973230
where:
bonds (distance) C4'-P energy: -13.078
bonds (distance) P-C4' energy: -11.593
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -6.737
tors. eta vs tors. theta energy: -13.388
Dist. restrs. and SS energy: 0.097 (S_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: 129
Temperature: 1.200000
Total energy: -145.653446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.653446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.653446 (E_RNA)
where:
Base-Base interactions energy: -82.742
where: short stacking energy: -42.861
Base-Backbone interact. energy: -0.144
local terms energy: -62.767773
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -5.443
tors. eta vs tors. theta energy: -8.292
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: 2
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -134.362980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.362980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.480092 (E_RNA)
where:
Base-Base interactions energy: -79.953
where: short stacking energy: -41.913
Base-Backbone interact. energy: -0.070
local terms energy: -54.457771
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -12.076
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -12.059
tors. eta vs tors. theta energy: -3.610
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -123.659912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.659912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.659912 (E_RNA)
where:
Base-Base interactions energy: -63.621
where: short stacking energy: -33.727
Base-Backbone interact. energy: -0.138
local terms energy: -59.901171
where:
bonds (distance) C4'-P energy: -14.647
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -3.930
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -113.941217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.941217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.967204 (E_RNA)
where:
Base-Base interactions energy: -64.999
where: short stacking energy: -35.941
Base-Backbone interact. energy: -0.442
local terms energy: -48.526178
where:
bonds (distance) C4'-P energy: -9.804
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -5.066
tors. eta vs tors. theta energy: -3.513
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -204.265043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.265043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.569493 (E_RNA)
where:
Base-Base interactions energy: -129.476
where: short stacking energy: -68.705
Base-Backbone interact. energy: -0.110
local terms energy: -74.983134
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -17.256
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -18.126
Dist. restrs. and SS energy: 0.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -190.404461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.404461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.610297 (E_RNA)
where:
Base-Base interactions energy: -112.361
where: short stacking energy: -66.077
Base-Backbone interact. energy: -0.526
local terms energy: -77.724045
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -5.347
tors. eta vs tors. theta energy: -20.384
Dist. restrs. and SS energy: 0.206 (S_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: 130
Temperature: 1.000000
Total energy: -178.479245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.479245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.516037 (E_RNA)
where:
Base-Base interactions energy: -103.831
where: short stacking energy: -53.458
Base-Backbone interact. energy: -1.043
local terms energy: -73.641797
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -14.886
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -191.160903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.160903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.254027 (E_RNA)
where:
Base-Base interactions energy: -112.619
where: short stacking energy: -72.354
Base-Backbone interact. energy: -0.259
local terms energy: -78.376435
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -22.225
Dist. restrs. and SS energy: 0.093 (S_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: 130
Temperature: 1.100000
Total energy: -162.783381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.783381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.783381 (E_RNA)
where:
Base-Base interactions energy: -99.208
where: short stacking energy: -57.483
Base-Backbone interact. energy: -0.152
local terms energy: -63.423264
where:
bonds (distance) C4'-P energy: -11.133
bonds (distance) P-C4' energy: -14.950
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -14.294
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: 130
Temperature: 1.150000
Total energy: -160.245145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.245145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.345722 (E_RNA)
where:
Base-Base interactions energy: -106.750
where: short stacking energy: -50.781
Base-Backbone interact. energy: -0.125
local terms energy: -53.470303
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -5.383
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -12.939
Dist. restrs. and SS energy: 0.101 (S_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: 130
Temperature: 1.200000
Total energy: -131.399555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.399555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.452071 (E_RNA)
where:
Base-Base interactions energy: -70.167
where: short stacking energy: -35.542
Base-Backbone interact. energy: 0.112
local terms energy: -61.397093
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: -9.377
Dist. restrs. and SS energy: 0.053 (S_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: -125.994978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.994978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.994978 (E_RNA)
where:
Base-Base interactions energy: -66.326
where: short stacking energy: -40.084
Base-Backbone interact. energy: -0.151
local terms energy: -59.517306
where:
bonds (distance) C4'-P energy: -12.921
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -8.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -128.722652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.722652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.786457 (E_RNA)
where:
Base-Base interactions energy: -66.994
where: short stacking energy: -40.759
Base-Backbone interact. energy: -0.963
local terms energy: -60.829532
where:
bonds (distance) C4'-P energy: -14.097
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -7.217
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -124.684834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.684834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.703025 (E_RNA)
where:
Base-Base interactions energy: -66.554
where: short stacking energy: -35.122
Base-Backbone interact. energy: -0.018
local terms energy: -58.130654
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -9.935
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -6.837
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -207.357973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.357973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.490772 (E_RNA)
where:
Base-Base interactions energy: -132.876
where: short stacking energy: -59.152
Base-Backbone interact. energy: -0.274
local terms energy: -74.340417
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -17.046
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -15.880
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -182.394185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.394185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.471235 (E_RNA)
where:
Base-Base interactions energy: -110.768
where: short stacking energy: -61.390
Base-Backbone interact. energy: -0.168
local terms energy: -71.535037
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -11.353
flat angles C4'-P-C4' energy: -10.982
flat angles P-C4'-P energy: -14.310
tors. eta vs tors. theta energy: -16.947
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -190.225504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.225504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.820171 (E_RNA)
where:
Base-Base interactions energy: -114.653
where: short stacking energy: -63.686
Base-Backbone interact. energy: -0.127
local terms energy: -76.040711
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -13.368
flat angles C4'-P-C4' energy: -17.729
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -20.490
Dist. restrs. and SS energy: 0.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -178.195153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.195153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.220262 (E_RNA)
where:
Base-Base interactions energy: -106.236
where: short stacking energy: -58.299
Base-Backbone interact. energy: -0.038
local terms energy: -71.945998
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -14.475
Dist. restrs. and SS energy: 0.025 (S_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: 131
Temperature: 1.100000
Total energy: -155.340491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.340491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.694872 (E_RNA)
where:
Base-Base interactions energy: -92.481
where: short stacking energy: -50.963
Base-Backbone interact. energy: -0.370
local terms energy: -62.843377
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -12.999
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -13.912
Dist. restrs. and SS energy: 0.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -155.796094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.796094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.853965 (E_RNA)
where:
Base-Base interactions energy: -94.083
where: short stacking energy: -43.777
Base-Backbone interact. energy: -0.093
local terms energy: -61.678011
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -10.615
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -158.075824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.075824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.075824 (E_RNA)
where:
Base-Base interactions energy: -87.141
where: short stacking energy: -50.597
Base-Backbone interact. energy: -0.006
local terms energy: -70.928821
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -10.220
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: 8, replica: 1
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -139.385718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.385718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.565344 (E_RNA)
where:
Base-Base interactions energy: -75.991
where: short stacking energy: -38.168
Base-Backbone interact. energy: -0.145
local terms energy: -63.429611
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -7.964
Dist. restrs. and SS energy: 0.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -129.132100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.132100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.186717 (E_RNA)
where:
Base-Base interactions energy: -71.829
where: short stacking energy: -41.076
Base-Backbone interact. energy: -0.194
local terms energy: -57.164130
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -3.528
tors. eta vs tors. theta energy: -7.896
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -114.262349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.262349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.262349 (E_RNA)
where:
Base-Base interactions energy: -56.473
where: short stacking energy: -33.236
Base-Backbone interact. energy: -0.675
local terms energy: -57.115079
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -2.888
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: 132
Temperature: 0.900000
Total energy: -194.816627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.816627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.165514 (E_RNA)
where:
Base-Base interactions energy: -115.024
where: short stacking energy: -66.523
Base-Backbone interact. energy: 1.103
local terms energy: -81.244384
where:
bonds (distance) C4'-P energy: -15.716
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -19.813
Dist. restrs. and SS energy: 0.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -203.972832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.972832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.016491 (E_RNA)
where:
Base-Base interactions energy: -130.728
where: short stacking energy: -70.283
Base-Backbone interact. energy: -0.178
local terms energy: -73.110056
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -6.803
tors. eta vs tors. theta energy: -17.347
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -182.482976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.482976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.708415 (E_RNA)
where:
Base-Base interactions energy: -112.515
where: short stacking energy: -61.501
Base-Backbone interact. energy: -0.107
local terms energy: -70.085559
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -15.000
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -170.587546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.587546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.731377 (E_RNA)
where:
Base-Base interactions energy: -108.085
where: short stacking energy: -51.474
Base-Backbone interact. energy: -0.014
local terms energy: -62.631915
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -8.975
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -9.814
Dist. restrs. and SS energy: 0.144 (S_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: 132
Temperature: 1.100000
Total energy: -164.484441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.484441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.587325 (E_RNA)
where:
Base-Base interactions energy: -92.867
where: short stacking energy: -57.362
Base-Backbone interact. energy: -0.729
local terms energy: -70.991836
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -11.808
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -18.862
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -152.138445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.138445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.182757 (E_RNA)
where:
Base-Base interactions energy: -85.405
where: short stacking energy: -50.744
Base-Backbone interact. energy: -0.105
local terms energy: -66.673185
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -11.495
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -146.663838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.663838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.663838 (E_RNA)
where:
Base-Base interactions energy: -84.913
where: short stacking energy: -42.369
Base-Backbone interact. energy: 0.002
local terms energy: -61.752398
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -12.446
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -147.203168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.203168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.203168 (E_RNA)
where:
Base-Base interactions energy: -86.916
where: short stacking energy: -48.580
Base-Backbone interact. energy: -1.010
local terms energy: -59.276828
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -9.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -136.858595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.858595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.896737 (E_RNA)
where:
Base-Base interactions energy: -81.412
where: short stacking energy: -40.058
Base-Backbone interact. energy: -0.409
local terms energy: -55.076391
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -9.320
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -131.347642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.347642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.437683 (E_RNA)
where:
Base-Base interactions energy: -68.387
where: short stacking energy: -41.135
Base-Backbone interact. energy: -0.083
local terms energy: -62.968102
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -6.964
Dist. restrs. and SS energy: 0.090 (S_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: 133
Temperature: 0.900000
Total energy: -190.837057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.837057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.035247 (E_RNA)
where:
Base-Base interactions energy: -118.580
where: short stacking energy: -64.542
Base-Backbone interact. energy: -0.012
local terms energy: -72.443710
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -18.406
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -15.573
Dist. restrs. and SS energy: 0.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -206.081920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.081920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.092215 (E_RNA)
where:
Base-Base interactions energy: -129.710
where: short stacking energy: -66.052
Base-Backbone interact. energy: -2.013
local terms energy: -74.369450
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -21.214
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -175.260093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.260093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.284769 (E_RNA)
where:
Base-Base interactions energy: -103.981
where: short stacking energy: -64.836
Base-Backbone interact. energy: -0.047
local terms energy: -71.257039
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -15.088
Dist. restrs. and SS energy: 0.025 (S_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: -167.535837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.535837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.547152 (E_RNA)
where:
Base-Base interactions energy: -101.395
where: short stacking energy: -57.588
Base-Backbone interact. energy: 0.396
local terms energy: -66.548729
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -9.807
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -155.898655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.898655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.898655 (E_RNA)
where:
Base-Base interactions energy: -83.303
where: short stacking energy: -48.184
Base-Backbone interact. energy: -0.036
local terms energy: -72.559235
where:
bonds (distance) C4'-P energy: -17.058
bonds (distance) P-C4' energy: -17.103
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: -16.359
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -138.940830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.940830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.974657 (E_RNA)
where:
Base-Base interactions energy: -77.972
where: short stacking energy: -42.517
Base-Backbone interact. energy: -0.307
local terms energy: -60.696274
where:
bonds (distance) C4'-P energy: -13.683
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -5.487
Dist. restrs. and SS energy: 0.034 (S_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: 133
Temperature: 1.200000
Total energy: -158.717993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.717993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.717993 (E_RNA)
where:
Base-Base interactions energy: -94.984
where: short stacking energy: -48.589
Base-Backbone interact. energy: -0.072
local terms energy: -63.662474
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -18.309
flat angles C4'-P-C4' energy: -8.142
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -14.289
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: 3
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -144.108010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.108010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.640174 (E_RNA)
where:
Base-Base interactions energy: -90.145
where: short stacking energy: -47.383
Base-Backbone interact. energy: -0.301
local terms energy: -54.193678
where:
bonds (distance) C4'-P energy: -7.818
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -9.601
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: -14.423
Dist. restrs. and SS energy: 0.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -122.294962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.294962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.294962 (E_RNA)
where:
Base-Base interactions energy: -66.712
where: short stacking energy: -30.444
Base-Backbone interact. energy: -0.060
local terms energy: -55.522572
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -19.103
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -5.547
tors. eta vs tors. theta energy: -3.587
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -111.537217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.537217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.621488 (E_RNA)
where:
Base-Base interactions energy: -65.652
where: short stacking energy: -29.845
Base-Backbone interact. energy: -0.097
local terms energy: -45.872970
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -2.107
tors. eta vs tors. theta energy: -2.667
Dist. restrs. and SS energy: 0.084 (S_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: 134
Temperature: 0.900000
Total energy: -201.094372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.094372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.174738 (E_RNA)
where:
Base-Base interactions energy: -118.130
where: short stacking energy: -60.060
Base-Backbone interact. energy: -0.292
local terms energy: -82.753041
where:
bonds (distance) C4'-P energy: -17.012
bonds (distance) P-C4' energy: -16.953
flat angles C4'-P-C4' energy: -18.563
flat angles P-C4'-P energy: -14.190
tors. eta vs tors. theta energy: -16.035
Dist. restrs. and SS energy: 0.080 (S_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: 134
Temperature: 0.950000
Total energy: -190.593250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.593250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.069724 (E_RNA)
where:
Base-Base interactions energy: -112.795
where: short stacking energy: -72.153
Base-Backbone interact. energy: -0.017
local terms energy: -78.258220
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -18.680
Dist. restrs. and SS energy: 0.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -185.349193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.349193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.349193 (E_RNA)
where:
Base-Base interactions energy: -114.463
where: short stacking energy: -57.694
Base-Backbone interact. energy: -0.187
local terms energy: -70.699145
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -15.916
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: 134
Temperature: 1.050000
Total energy: -169.479370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.479370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.787493 (E_RNA)
where:
Base-Base interactions energy: -96.362
where: short stacking energy: -59.438
Base-Backbone interact. energy: -0.063
local terms energy: -73.362904
where:
bonds (distance) C4'-P energy: -11.153
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -18.504
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: -16.562
Dist. restrs. and SS energy: 0.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -162.217055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.217055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.654531 (E_RNA)
where:
Base-Base interactions energy: -97.650
where: short stacking energy: -50.245
Base-Backbone interact. energy: -0.138
local terms energy: -64.866555
where:
bonds (distance) C4'-P energy: -14.445
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -9.146
Dist. restrs. and SS energy: 0.437 (S_DIST_RNA)
chem. 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: -149.355237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.355237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.357166 (E_RNA)
where:
Base-Base interactions energy: -84.963
where: short stacking energy: -44.580
Base-Backbone interact. energy: -0.037
local terms energy: -64.356570
where:
bonds (distance) C4'-P energy: -9.300
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -13.927
tors. eta vs tors. theta energy: -11.198
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -131.411757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.411757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.556330 (E_RNA)
where:
Base-Base interactions energy: -78.542
where: short stacking energy: -35.007
Base-Backbone interact. energy: -0.032
local terms energy: -52.981751
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -1.140
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -119.299130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.299130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.377755 (E_RNA)
where:
Base-Base interactions energy: -60.423
where: short stacking energy: -25.772
Base-Backbone interact. energy: -0.897
local terms energy: -58.057822
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -6.342
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -150.822450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.822450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.909639 (E_RNA)
where:
Base-Base interactions energy: -84.892
where: short stacking energy: -43.202
Base-Backbone interact. energy: -0.660
local terms energy: -65.357456
where:
bonds (distance) C4'-P energy: -9.162
bonds (distance) P-C4' energy: -16.944
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -13.886
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -99.294099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.294099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.491500 (E_RNA)
where:
Base-Base interactions energy: -52.583
where: short stacking energy: -32.761
Base-Backbone interact. energy: -0.097
local terms energy: -46.811971
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -12.467
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -2.882
tors. eta vs tors. theta energy: -2.261
Dist. restrs. and SS energy: 0.197 (S_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: 135
Temperature: 0.900000
Total energy: -203.063413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.063413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.086339 (E_RNA)
where:
Base-Base interactions energy: -126.060
where: short stacking energy: -69.577
Base-Backbone interact. energy: 0.698
local terms energy: -77.724555
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -18.217
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -196.639492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.639492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.010466 (E_RNA)
where:
Base-Base interactions energy: -119.191
where: short stacking energy: -65.367
Base-Backbone interact. energy: -0.042
local terms energy: -77.777477
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -21.048
Dist. restrs. and SS energy: 0.371 (S_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: 135
Temperature: 1.000000
Total energy: -187.807647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.807647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.906858 (E_RNA)
where:
Base-Base interactions energy: -112.942
where: short stacking energy: -64.562
Base-Backbone interact. energy: -0.040
local terms energy: -74.924490
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -19.724
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -144.572926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.572926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.572926 (E_RNA)
where:
Base-Base interactions energy: -83.159
where: short stacking energy: -46.874
Base-Backbone interact. energy: -0.110
local terms energy: -61.304258
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -11.895
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -10.682
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -174.316213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.316213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.344337 (E_RNA)
where:
Base-Base interactions energy: -99.954
where: short stacking energy: -59.664
Base-Backbone interact. energy: -0.001
local terms energy: -74.388861
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -15.200
Dist. restrs. and SS energy: 0.028 (S_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: 135
Temperature: 1.150000
Total energy: -135.416732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.416732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.918714 (E_RNA)
where:
Base-Base interactions energy: -75.555
where: short stacking energy: -42.975
Base-Backbone interact. energy: 2.449
local terms energy: -62.813559
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -10.614
Dist. restrs. and SS energy: 0.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -139.812031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.812031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.884857 (E_RNA)
where:
Base-Base interactions energy: -88.777
where: short stacking energy: -38.628
Base-Backbone interact. energy: -0.546
local terms energy: -50.562338
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -5.487
tors. eta vs tors. theta energy: -1.395
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -146.226406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.226406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.228647 (E_RNA)
where:
Base-Base interactions energy: -90.027
where: short stacking energy: -46.877
Base-Backbone interact. energy: -0.300
local terms energy: -55.901518
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -10.567
flat angles P-C4'-P energy: -2.705
tors. eta vs tors. theta energy: -10.886
Dist. restrs. and SS energy: 0.002 (S_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: 135
Temperature: 1.300000
Total energy: -139.797402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.797402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.947751 (E_RNA)
where:
Base-Base interactions energy: -88.046
where: short stacking energy: -47.467
Base-Backbone interact. energy: -0.597
local terms energy: -51.304577
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -14.717
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -4.297
tors. eta vs tors. theta energy: -8.252
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -110.467487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.467487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.540993 (E_RNA)
where:
Base-Base interactions energy: -57.672
where: short stacking energy: -30.595
Base-Backbone interact. energy: -0.365
local terms energy: -52.504351
where:
bonds (distance) C4'-P energy: -9.659
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -5.190
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -210.430169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.430169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.596162 (E_RNA)
where:
Base-Base interactions energy: -134.654
where: short stacking energy: -62.883
Base-Backbone interact. energy: -0.293
local terms energy: -75.649281
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -15.309
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: -15.573
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -181.702586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.702586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.835171 (E_RNA)
where:
Base-Base interactions energy: -111.309
where: short stacking energy: -63.730
Base-Backbone interact. energy: -0.002
local terms energy: -70.524294
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -12.041
flat angles C4'-P-C4' energy: -19.177
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -14.505
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -174.675548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.675548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.699282 (E_RNA)
where:
Base-Base interactions energy: -103.432
where: short stacking energy: -59.474
Base-Backbone interact. energy: -0.123
local terms energy: -71.143597
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -16.065
tors. eta vs tors. theta energy: -12.750
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -177.019779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.019779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.463402 (E_RNA)
where:
Base-Base interactions energy: -107.666
where: short stacking energy: -56.483
Base-Backbone interact. energy: 0.005
local terms energy: -69.802046
where:
bonds (distance) C4'-P energy: -8.778
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -14.506
tors. eta vs tors. theta energy: -14.578
Dist. restrs. and SS energy: 0.444 (S_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: 136
Temperature: 1.100000
Total energy: -156.283374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.283374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.616362 (E_RNA)
where:
Base-Base interactions energy: -105.394
where: short stacking energy: -45.180
Base-Backbone interact. energy: -0.526
local terms energy: -50.695726
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -10.312
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -4.393
Dist. restrs. and SS energy: 0.333 (S_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: 136
Temperature: 1.150000
Total energy: -153.264397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.264397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.572137 (E_RNA)
where:
Base-Base interactions energy: -94.296
where: short stacking energy: -48.118
Base-Backbone interact. energy: -0.257
local terms energy: -59.019018
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -10.751
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -9.780
Dist. restrs. and SS energy: 0.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -140.447409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.447409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.454591 (E_RNA)
where:
Base-Base interactions energy: -87.716
where: short stacking energy: -39.124
Base-Backbone interact. energy: -0.252
local terms energy: -52.486002
where:
bonds (distance) C4'-P energy: -17.774
bonds (distance) P-C4' energy: -12.999
flat angles C4'-P-C4' energy: -8.920
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -5.608
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -148.244860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.244860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.244860 (E_RNA)
where:
Base-Base interactions energy: -93.502
where: short stacking energy: -52.188
Base-Backbone interact. energy: -0.013
local terms energy: -54.729488
where:
bonds (distance) C4'-P energy: -10.759
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -8.632
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -122.410215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.410215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.568480 (E_RNA)
where:
Base-Base interactions energy: -64.988
where: short stacking energy: -33.503
Base-Backbone interact. energy: -0.148
local terms energy: -57.432347
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -6.020
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. 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: -128.036386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.036386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.099211 (E_RNA)
where:
Base-Base interactions energy: -66.078
where: short stacking energy: -39.336
Base-Backbone interact. energy: 0.776
local terms energy: -62.796797
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -9.020
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -11.009
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -202.292522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.292522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.292522 (E_RNA)
where:
Base-Base interactions energy: -120.039
where: short stacking energy: -69.483
Base-Backbone interact. energy: 0.348
local terms energy: -82.601383
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -20.014
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -178.760599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.760599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.760599 (E_RNA)
where:
Base-Base interactions energy: -103.969
where: short stacking energy: -55.747
Base-Backbone interact. energy: -0.234
local terms energy: -74.558172
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -13.714
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -193.944974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.944974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.045767 (E_RNA)
where:
Base-Base interactions energy: -117.056
where: short stacking energy: -66.250
Base-Backbone interact. energy: -0.076
local terms energy: -76.913543
where:
bonds (distance) C4'-P energy: -18.078
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -18.234
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -151.254399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.254399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.254399 (E_RNA)
where:
Base-Base interactions energy: -86.608
where: short stacking energy: -41.094
Base-Backbone interact. energy: -0.261
local terms energy: -64.384542
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -9.612
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: 5, replica: 6
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -158.161979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.161979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.164774 (E_RNA)
where:
Base-Base interactions energy: -93.258
where: short stacking energy: -46.657
Base-Backbone interact. energy: -1.178
local terms energy: -63.728557
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -10.378
Dist. restrs. and SS energy: 0.003 (S_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: 137
Temperature: 1.150000
Total energy: -159.624023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.624023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.987682 (E_RNA)
where:
Base-Base interactions energy: -96.891
where: short stacking energy: -48.173
Base-Backbone interact. energy: -0.066
local terms energy: -63.030011
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -6.594
tors. eta vs tors. theta energy: -12.723
Dist. restrs. and SS energy: 0.364 (S_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: 137
Temperature: 1.200000
Total energy: -142.048694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.048694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.048694 (E_RNA)
where:
Base-Base interactions energy: -81.130
where: short stacking energy: -38.159
Base-Backbone interact. energy: -0.215
local terms energy: -60.703542
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -11.307
flat angles C4'-P-C4' energy: -16.901
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -8.772
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -148.829568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.829568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.833509 (E_RNA)
where:
Base-Base interactions energy: -80.505
where: short stacking energy: -48.691
Base-Backbone interact. energy: -0.091
local terms energy: -68.237134
where:
bonds (distance) C4'-P energy: -15.980
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -15.131
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. 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: -112.086094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.086094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.086094 (E_RNA)
where:
Base-Base interactions energy: -64.667
where: short stacking energy: -36.898
Base-Backbone interact. energy: -0.156
local terms energy: -47.263789
where:
bonds (distance) C4'-P energy: -5.624
bonds (distance) P-C4' energy: -19.381
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -4.200
tors. eta vs tors. theta energy: -3.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -141.317757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.317757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.409656 (E_RNA)
where:
Base-Base interactions energy: -82.630
where: short stacking energy: -37.554
Base-Backbone interact. energy: -0.105
local terms energy: -58.675041
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -17.720
flat angles C4'-P-C4' energy: -11.379
flat angles P-C4'-P energy: -4.651
tors. eta vs tors. theta energy: -10.758
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -190.750242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.750242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.775143 (E_RNA)
where:
Base-Base interactions energy: -115.439
where: short stacking energy: -59.643
Base-Backbone interact. energy: 0.485
local terms energy: -75.821712
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -15.054
tors. eta vs tors. theta energy: -13.538
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -187.490392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.490392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.557918 (E_RNA)
where:
Base-Base interactions energy: -107.687
where: short stacking energy: -67.519
Base-Backbone interact. energy: -0.026
local terms energy: -79.845137
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -18.735
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -18.303
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -200.042728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.042728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.398151 (E_RNA)
where:
Base-Base interactions energy: -119.168
where: short stacking energy: -68.675
Base-Backbone interact. energy: -0.004
local terms energy: -81.226531
where:
bonds (distance) C4'-P energy: -16.880
bonds (distance) P-C4' energy: -16.490
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -12.498
tors. eta vs tors. theta energy: -19.070
Dist. restrs. and SS energy: 0.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -153.769218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.769218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.829906 (E_RNA)
where:
Base-Base interactions energy: -92.153
where: short stacking energy: -48.682
Base-Backbone interact. energy: -0.097
local terms energy: -61.579546
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -10.837
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -12.710
Dist. restrs. and SS energy: 0.061 (S_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: 138
Temperature: 1.100000
Total energy: -160.635305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.635305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.635305 (E_RNA)
where:
Base-Base interactions energy: -95.844
where: short stacking energy: -50.564
Base-Backbone interact. energy: -0.123
local terms energy: -64.669120
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -8.869
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -159.628726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.628726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.813314 (E_RNA)
where:
Base-Base interactions energy: -93.837
where: short stacking energy: -56.262
Base-Backbone interact. energy: -0.209
local terms energy: -65.767341
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -16.502
Dist. restrs. and SS energy: 0.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -141.931384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.931384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.931384 (E_RNA)
where:
Base-Base interactions energy: -77.086
where: short stacking energy: -39.823
Base-Backbone interact. energy: -0.530
local terms energy: -64.314816
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -10.586
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: 7
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -140.818602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.818602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.818602 (E_RNA)
where:
Base-Base interactions energy: -81.739
where: short stacking energy: -41.385
Base-Backbone interact. energy: -0.200
local terms energy: -58.880186
where:
bonds (distance) C4'-P energy: -14.970
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -5.951
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -122.184450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.184450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.289377 (E_RNA)
where:
Base-Base interactions energy: -77.713
where: short stacking energy: -40.072
Base-Backbone interact. energy: -0.264
local terms energy: -44.312371
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -10.557
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -3.118
tors. eta vs tors. theta energy: -3.417
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -125.077621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.077621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.081988 (E_RNA)
where:
Base-Base interactions energy: -71.782
where: short stacking energy: -31.670
Base-Backbone interact. energy: 0.853
local terms energy: -54.153280
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -15.428
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -4.078
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -189.654119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.654119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.815285 (E_RNA)
where:
Base-Base interactions energy: -117.620
where: short stacking energy: -61.575
Base-Backbone interact. energy: -1.932
local terms energy: -70.263373
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -17.738
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -185.778255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.778255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.778255 (E_RNA)
where:
Base-Base interactions energy: -116.511
where: short stacking energy: -63.163
Base-Backbone interact. energy: -0.713
local terms energy: -68.553957
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -14.634
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -188.284167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.284167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.612975 (E_RNA)
where:
Base-Base interactions energy: -115.599
where: short stacking energy: -71.436
Base-Backbone interact. energy: -0.058
local terms energy: -72.955583
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -16.321
Dist. restrs. and SS energy: 0.329 (S_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: 139
Temperature: 1.050000
Total energy: -167.983691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.983691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.638454 (E_RNA)
where:
Base-Base interactions energy: -100.702
where: short stacking energy: -54.281
Base-Backbone interact. energy: 1.167
local terms energy: -69.103739
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -13.006
Dist. restrs. and SS energy: 0.655 (S_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: 139
Temperature: 1.100000
Total energy: -150.478914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.478914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.697031 (E_RNA)
where:
Base-Base interactions energy: -84.255
where: short stacking energy: -39.452
Base-Backbone interact. energy: -0.358
local terms energy: -66.083944
where:
bonds (distance) C4'-P energy: -7.167
bonds (distance) P-C4' energy: -16.592
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -14.642
Dist. restrs. and SS energy: 0.218 (S_DIST_RNA)
chem. 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: -176.172099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.172099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.172099 (E_RNA)
where:
Base-Base interactions energy: -102.534
where: short stacking energy: -58.241
Base-Backbone interact. energy: -0.034
local terms energy: -73.604063
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -17.023
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: 1
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -150.398548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.398548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.487184 (E_RNA)
where:
Base-Base interactions energy: -91.256
where: short stacking energy: -46.970
Base-Backbone interact. energy: 1.525
local terms energy: -60.756133
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -7.060
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -146.069145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.069145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.192993 (E_RNA)
where:
Base-Base interactions energy: -81.121
where: short stacking energy: -39.407
Base-Backbone interact. energy: -0.039
local terms energy: -65.032620
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: -8.008
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -132.002957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.002957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.002957 (E_RNA)
where:
Base-Base interactions energy: -72.998
where: short stacking energy: -39.958
Base-Backbone interact. energy: -0.459
local terms energy: -58.546726
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -8.681
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -96.419351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.419351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.483591 (E_RNA)
where:
Base-Base interactions energy: -48.509
where: short stacking energy: -24.554
Base-Backbone interact. energy: 0.667
local terms energy: -48.642327
where:
bonds (distance) C4'-P energy: -9.478
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -5.984
tors. eta vs tors. theta energy: 1.776
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -184.348665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.348665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.380146 (E_RNA)
where:
Base-Base interactions energy: -114.597
where: short stacking energy: -59.865
Base-Backbone interact. energy: -0.274
local terms energy: -69.509606
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -5.076
tors. eta vs tors. theta energy: -14.300
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -195.624984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.624984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.906497 (E_RNA)
where:
Base-Base interactions energy: -118.520
where: short stacking energy: -70.763
Base-Backbone interact. energy: -0.076
local terms energy: -77.310386
where:
bonds (distance) C4'-P energy: -14.490
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -21.964
Dist. restrs. and SS energy: 0.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -190.327821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.327821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.460575 (E_RNA)
where:
Base-Base interactions energy: -117.844
where: short stacking energy: -67.730
Base-Backbone interact. energy: -0.724
local terms energy: -71.892251
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -18.744
Dist. restrs. and SS energy: 0.133 (S_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: 140
Temperature: 1.050000
Total energy: -166.775369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.775369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.822268 (E_RNA)
where:
Base-Base interactions energy: -95.572
where: short stacking energy: -60.355
Base-Backbone interact. energy: -0.005
local terms energy: -71.245455
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -14.411
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -160.372670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.372670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.736900 (E_RNA)
where:
Base-Base interactions energy: -97.558
where: short stacking energy: -53.690
Base-Backbone interact. energy: 0.602
local terms energy: -63.781663
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -11.251
Dist. restrs. and SS energy: 0.364 (S_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: 140
Temperature: 1.150000
Total energy: -165.662290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.662290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.377613 (E_RNA)
where:
Base-Base interactions energy: -92.949
where: short stacking energy: -54.922
Base-Backbone interact. energy: -0.105
local terms energy: -73.323204
where:
bonds (distance) C4'-P energy: -16.121
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -20.930
Dist. restrs. and SS energy: 0.715 (S_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: 140
Temperature: 1.200000
Total energy: -172.039885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.039885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.063467 (E_RNA)
where:
Base-Base interactions energy: -116.076
where: short stacking energy: -54.005
Base-Backbone interact. energy: -0.196
local terms energy: -55.791131
where:
bonds (distance) C4'-P energy: -10.797
bonds (distance) P-C4' energy: -5.483
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -16.042
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -144.249045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.249045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.324841 (E_RNA)
where:
Base-Base interactions energy: -84.853
where: short stacking energy: -51.401
Base-Backbone interact. energy: -0.170
local terms energy: -59.302357
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -6.679
tors. eta vs tors. theta energy: -9.333
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -127.993184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.993184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.122318 (E_RNA)
where:
Base-Base interactions energy: -80.319
where: short stacking energy: -37.866
Base-Backbone interact. energy: 0.628
local terms energy: -48.431934
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -6.964
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -4.644
Dist. restrs. and SS energy: 0.129 (S_DIST_RNA)
chem. 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: -88.970018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.970018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.577985 (E_RNA)
where:
Base-Base interactions energy: -48.273
where: short stacking energy: -35.084
Base-Backbone interact. energy: -0.480
local terms energy: -45.824583
where:
bonds (distance) C4'-P energy: -7.394
bonds (distance) P-C4' energy: -12.633
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -7.052
Dist. restrs. and SS energy: 5.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -177.175709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.175709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.385458 (E_RNA)
where:
Base-Base interactions energy: -104.473
where: short stacking energy: -56.853
Base-Backbone interact. energy: -0.257
local terms energy: -72.655167
where:
bonds (distance) C4'-P energy: -18.465
bonds (distance) P-C4' energy: -19.793
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -11.497
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -186.703317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.703317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.018253 (E_RNA)
where:
Base-Base interactions energy: -111.655
where: short stacking energy: -66.947
Base-Backbone interact. energy: -0.524
local terms energy: -74.839757
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -15.742
Dist. restrs. and SS energy: 0.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -195.910791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.910791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.910791 (E_RNA)
where:
Base-Base interactions energy: -122.115
where: short stacking energy: -69.652
Base-Backbone interact. energy: 0.205
local terms energy: -74.000726
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -15.705
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: 6
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -171.308336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.308336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.337047 (E_RNA)
where:
Base-Base interactions energy: -99.183
where: short stacking energy: -61.915
Base-Backbone interact. energy: -0.402
local terms energy: -71.751468
where:
bonds (distance) C4'-P energy: -13.749
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -14.084
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -155.115937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.115937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.119815 (E_RNA)
where:
Base-Base interactions energy: -96.783
where: short stacking energy: -53.034
Base-Backbone interact. energy: 0.580
local terms energy: -58.916011
where:
bonds (distance) C4'-P energy: -10.134
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -6.802
tors. eta vs tors. theta energy: -13.730
Dist. restrs. and SS energy: 0.004 (S_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: 141
Temperature: 1.150000
Total energy: -161.448822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.448822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.911610 (E_RNA)
where:
Base-Base interactions energy: -93.149
where: short stacking energy: -50.346
Base-Backbone interact. energy: -0.089
local terms energy: -68.672859
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -15.716
Dist. restrs. and SS energy: 0.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -157.626043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.626043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.670544 (E_RNA)
where:
Base-Base interactions energy: -92.223
where: short stacking energy: -49.752
Base-Backbone interact. energy: -0.206
local terms energy: -65.241479
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -5.688
tors. eta vs tors. theta energy: -14.333
Dist. restrs. and SS energy: 0.045 (S_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: 141
Temperature: 1.250000
Total energy: -131.982627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.982627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.989306 (E_RNA)
where:
Base-Base interactions energy: -68.570
where: short stacking energy: -34.707
Base-Backbone interact. energy: -0.451
local terms energy: -62.968094
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -19.578
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -5.387
tors. eta vs tors. theta energy: -5.363
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -111.535081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.535081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.583930 (E_RNA)
where:
Base-Base interactions energy: -72.288
where: short stacking energy: -36.878
Base-Backbone interact. energy: -0.075
local terms energy: -39.220446
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -10.185
flat angles C4'-P-C4' energy: -10.178
flat angles P-C4'-P energy: -3.263
tors. eta vs tors. theta energy: -0.097
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. 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: -142.841338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.841338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.841338 (E_RNA)
where:
Base-Base interactions energy: -83.460
where: short stacking energy: -39.737
Base-Backbone interact. energy: 0.230
local terms energy: -59.612293
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -11.012
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -10.874
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: 1, replica: 8
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -188.412536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.412536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.412536 (E_RNA)
where:
Base-Base interactions energy: -115.364
where: short stacking energy: -59.232
Base-Backbone interact. energy: -0.265
local terms energy: -72.783617
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -11.273
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -183.723935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.723935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.056741 (E_RNA)
where:
Base-Base interactions energy: -109.921
where: short stacking energy: -64.563
Base-Backbone interact. energy: -0.218
local terms energy: -73.917918
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -16.167
Dist. restrs. and SS energy: 0.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -181.731000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.731000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.731000 (E_RNA)
where:
Base-Base interactions energy: -113.750
where: short stacking energy: -61.601
Base-Backbone interact. energy: -0.215
local terms energy: -67.766587
where:
bonds (distance) C4'-P energy: -11.906
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -11.871
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -16.809
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: 4, replica: 6
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -162.044684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.044684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.086432 (E_RNA)
where:
Base-Base interactions energy: -95.044
where: short stacking energy: -42.593
Base-Backbone interact. energy: -0.370
local terms energy: -66.672115
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -13.154
Dist. restrs. and SS energy: 0.042 (S_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: 142
Temperature: 1.100000
Total energy: -156.772090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.772090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.063414 (E_RNA)
where:
Base-Base interactions energy: -88.944
where: short stacking energy: -52.640
Base-Backbone interact. energy: 1.452
local terms energy: -69.571007
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -18.821
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: -12.938
Dist. restrs. and SS energy: 0.291 (S_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: 142
Temperature: 1.150000
Total energy: -134.141387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.141387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.187828 (E_RNA)
where:
Base-Base interactions energy: -72.756
where: short stacking energy: -46.009
Base-Backbone interact. energy: -0.056
local terms energy: -61.375487
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -12.602
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -156.724041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.724041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.916562 (E_RNA)
where:
Base-Base interactions energy: -93.561
where: short stacking energy: -47.176
Base-Backbone interact. energy: -0.229
local terms energy: -63.126665
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -8.210
Dist. restrs. and SS energy: 0.193 (S_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: 142
Temperature: 1.250000
Total energy: -140.567208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.567208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.289354 (E_RNA)
where:
Base-Base interactions energy: -79.181
where: short stacking energy: -34.270
Base-Backbone interact. energy: -0.099
local terms energy: -62.009159
where:
bonds (distance) C4'-P energy: -12.262
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -8.084
Dist. restrs. and SS energy: 0.722 (S_DIST_RNA)
chem. 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: -124.102128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.102128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.102128 (E_RNA)
where:
Base-Base interactions energy: -72.416
where: short stacking energy: -37.834
Base-Backbone interact. energy: -0.173
local terms energy: -51.513710
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -10.052
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -0.278
tors. eta vs tors. theta energy: -8.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -114.267428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.267428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.267428 (E_RNA)
where:
Base-Base interactions energy: -66.356
where: short stacking energy: -40.427
Base-Backbone interact. energy: -0.886
local terms energy: -47.025555
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -11.649
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -5.607
tors. eta vs tors. theta energy: -2.957
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -194.806116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.806116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.100347 (E_RNA)
where:
Base-Base interactions energy: -121.888
where: short stacking energy: -62.103
Base-Backbone interact. energy: -0.768
local terms energy: -72.443708
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -15.621
Dist. restrs. and SS energy: 0.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -171.204141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.204141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.242112 (E_RNA)
where:
Base-Base interactions energy: -93.572
where: short stacking energy: -61.258
Base-Backbone interact. energy: -0.030
local terms energy: -77.640314
where:
bonds (distance) C4'-P energy: -14.043
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -17.327
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -17.551
Dist. restrs. and SS energy: 0.038 (S_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: 143
Temperature: 1.000000
Total energy: -171.607188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.607188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.783744 (E_RNA)
where:
Base-Base interactions energy: -104.536
where: short stacking energy: -58.399
Base-Backbone interact. energy: -0.046
local terms energy: -67.201166
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -11.328
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -176.139783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.139783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.324277 (E_RNA)
where:
Base-Base interactions energy: -102.871
where: short stacking energy: -58.304
Base-Backbone interact. energy: -0.031
local terms energy: -73.422805
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -18.258
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -16.796
Dist. restrs. and SS energy: 0.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -147.929795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.929795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.997269 (E_RNA)
where:
Base-Base interactions energy: -82.347
where: short stacking energy: -44.805
Base-Backbone interact. energy: -0.352
local terms energy: -65.298820
where:
bonds (distance) C4'-P energy: -18.697
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: -12.036
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -149.643851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.643851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.755416 (E_RNA)
where:
Base-Base interactions energy: -87.007
where: short stacking energy: -47.187
Base-Backbone interact. energy: 1.310
local terms energy: -64.058693
where:
bonds (distance) C4'-P energy: -8.612
bonds (distance) P-C4' energy: -17.475
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -13.780
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -134.840099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.840099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.840099 (E_RNA)
where:
Base-Base interactions energy: -85.192
where: short stacking energy: -47.375
Base-Backbone interact. energy: -0.313
local terms energy: -49.335400
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -6.893
flat angles P-C4'-P energy: -0.542
tors. eta vs tors. theta energy: -11.099
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -133.794374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.794374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.680577 (E_RNA)
where:
Base-Base interactions energy: -74.226
where: short stacking energy: -34.620
Base-Backbone interact. energy: -0.227
local terms energy: -60.227936
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -17.214
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -3.977
Dist. restrs. and SS energy: 0.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -134.674054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.674054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.723987 (E_RNA)
where:
Base-Base interactions energy: -79.250
where: short stacking energy: -38.377
Base-Backbone interact. energy: 0.155
local terms energy: -55.629488
where:
bonds (distance) C4'-P energy: -8.413
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: -7.318
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -117.876156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.876156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.900751 (E_RNA)
where:
Base-Base interactions energy: -68.219
where: short stacking energy: -34.077
Base-Backbone interact. energy: -0.290
local terms energy: -49.391636
where:
bonds (distance) C4'-P energy: -11.778
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: 0.025
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -191.348766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.348766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.357152 (E_RNA)
where:
Base-Base interactions energy: -112.285
where: short stacking energy: -68.423
Base-Backbone interact. energy: -0.103
local terms energy: -78.969070
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -18.037
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -180.006713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.006713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.033272 (E_RNA)
where:
Base-Base interactions energy: -99.427
where: short stacking energy: -63.603
Base-Backbone interact. energy: -0.002
local terms energy: -80.604175
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -17.068
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -21.326
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -185.787378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.787378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.797959 (E_RNA)
where:
Base-Base interactions energy: -109.834
where: short stacking energy: -66.654
Base-Backbone interact. energy: -0.017
local terms energy: -75.946953
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -20.855
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. 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: -171.836152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.836152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.976300 (E_RNA)
where:
Base-Base interactions energy: -106.027
where: short stacking energy: -51.146
Base-Backbone interact. energy: -0.744
local terms energy: -65.204776
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -11.856
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -143.543958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.543958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.629824 (E_RNA)
where:
Base-Base interactions energy: -82.344
where: short stacking energy: -46.499
Base-Backbone interact. energy: -0.196
local terms energy: -61.090487
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -15.901
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -7.741
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. 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: -152.466104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.466104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.466104 (E_RNA)
where:
Base-Base interactions energy: -91.605
where: short stacking energy: -52.995
Base-Backbone interact. energy: -0.276
local terms energy: -60.585129
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -6.044
tors. eta vs tors. theta energy: -11.339
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: 7, replica: 2
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -144.388380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.388380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.413944 (E_RNA)
where:
Base-Base interactions energy: -87.262
where: short stacking energy: -45.003
Base-Backbone interact. energy: -0.013
local terms energy: -57.138731
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -3.324
tors. eta vs tors. theta energy: -11.782
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -139.951143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.951143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.951143 (E_RNA)
where:
Base-Base interactions energy: -80.706
where: short stacking energy: -34.580
Base-Backbone interact. energy: -0.117
local terms energy: -59.128870
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -4.070
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: 9, replica: 1
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -123.794453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.794453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.899954 (E_RNA)
where:
Base-Base interactions energy: -72.919
where: short stacking energy: -39.323
Base-Backbone interact. energy: -0.030
local terms energy: -50.950856
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -10.261
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -4.950
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -118.031176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.031176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.060093 (E_RNA)
where:
Base-Base interactions energy: -69.199
where: short stacking energy: -34.330
Base-Backbone interact. energy: 0.931
local terms energy: -49.791719
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -10.782
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -4.998
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -183.832276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.832276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.978869 (E_RNA)
where:
Base-Base interactions energy: -110.126
where: short stacking energy: -64.507
Base-Backbone interact. energy: 1.167
local terms energy: -75.020505
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -14.971
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -18.616
Dist. restrs. and SS energy: 0.147 (S_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: 145
Temperature: 0.950000
Total energy: -195.208335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.208335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.229605 (E_RNA)
where:
Base-Base interactions energy: -123.286
where: short stacking energy: -69.090
Base-Backbone interact. energy: -0.003
local terms energy: -71.941486
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -15.942
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -172.979746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.979746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.979746 (E_RNA)
where:
Base-Base interactions energy: -100.978
where: short stacking energy: -57.862
Base-Backbone interact. energy: -0.123
local terms energy: -71.878529
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -17.865
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -170.909376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.909376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.349219 (E_RNA)
where:
Base-Base interactions energy: -100.145
where: short stacking energy: -55.538
Base-Backbone interact. energy: -0.682
local terms energy: -71.522641
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -12.991
Dist. restrs. and SS energy: 1.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -151.539522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.539522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.539522 (E_RNA)
where:
Base-Base interactions energy: -92.966
where: short stacking energy: -59.847
Base-Backbone interact. energy: -0.184
local terms energy: -58.388905
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -8.762
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -147.491768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.491768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.491768 (E_RNA)
where:
Base-Base interactions energy: -91.745
where: short stacking energy: -43.145
Base-Backbone interact. energy: -0.169
local terms energy: -55.577738
where:
bonds (distance) C4'-P energy: -8.004
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -5.388
tors. eta vs tors. theta energy: -14.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -147.076470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.076470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.076470 (E_RNA)
where:
Base-Base interactions energy: -80.895
where: short stacking energy: -42.825
Base-Backbone interact. energy: -0.359
local terms energy: -65.823044
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -9.220
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: 1
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -127.314129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.314129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.374602 (E_RNA)
where:
Base-Base interactions energy: -67.665
where: short stacking energy: -36.392
Base-Backbone interact. energy: -0.063
local terms energy: -59.646468
where:
bonds (distance) C4'-P energy: -13.389
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -4.356
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -136.426881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.426881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.114191 (E_RNA)
where:
Base-Base interactions energy: -80.042
where: short stacking energy: -43.410
Base-Backbone interact. energy: 0.358
local terms energy: -57.430090
where:
bonds (distance) C4'-P energy: -9.303
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -6.026
Dist. restrs. and SS energy: 0.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -129.526261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.526261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.974731 (E_RNA)
where:
Base-Base interactions energy: -76.726
where: short stacking energy: -39.439
Base-Backbone interact. energy: -0.087
local terms energy: -53.161877
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -18.606
flat angles P-C4'-P energy: -2.309
tors. eta vs tors. theta energy: -7.011
Dist. restrs. and SS energy: 0.448 (S_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: -209.481631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.481631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.501807 (E_RNA)
where:
Base-Base interactions energy: -128.753
where: short stacking energy: -73.493
Base-Backbone interact. energy: -0.130
local terms energy: -80.618798
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -22.739
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -190.757402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.757402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.769675 (E_RNA)
where:
Base-Base interactions energy: -113.881
where: short stacking energy: -68.630
Base-Backbone interact. energy: -0.011
local terms energy: -76.877819
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -17.328
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -180.544841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.544841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.704746 (E_RNA)
where:
Base-Base interactions energy: -106.787
where: short stacking energy: -54.734
Base-Backbone interact. energy: -0.164
local terms energy: -73.753798
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -13.446
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -171.582548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.582548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.694539 (E_RNA)
where:
Base-Base interactions energy: -101.702
where: short stacking energy: -56.377
Base-Backbone interact. energy: -0.011
local terms energy: -69.982134
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -18.542
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -10.167
Dist. restrs. and SS energy: 0.112 (S_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: 146
Temperature: 1.100000
Total energy: -142.168955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.168955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.194220 (E_RNA)
where:
Base-Base interactions energy: -78.226
where: short stacking energy: -48.723
Base-Backbone interact. energy: -0.062
local terms energy: -63.906403
where:
bonds (distance) C4'-P energy: -16.059
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -8.290
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -148.619857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.619857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.619857 (E_RNA)
where:
Base-Base interactions energy: -93.543
where: short stacking energy: -45.042
Base-Backbone interact. energy: -0.273
local terms energy: -54.804148
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -10.788
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -5.371
tors. eta vs tors. theta energy: -9.493
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -133.582747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.582747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.686584 (E_RNA)
where:
Base-Base interactions energy: -75.741
where: short stacking energy: -39.680
Base-Backbone interact. energy: -0.594
local terms energy: -57.352018
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -1.085
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -125.958365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.958365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.958365 (E_RNA)
where:
Base-Base interactions energy: -82.151
where: short stacking energy: -39.087
Base-Backbone interact. energy: 0.307
local terms energy: -44.114514
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -11.245
flat angles C4'-P-C4' energy: -9.248
flat angles P-C4'-P energy: -2.870
tors. eta vs tors. theta energy: -5.205
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -146.673973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.673973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.695970 (E_RNA)
where:
Base-Base interactions energy: -91.675
where: short stacking energy: -49.852
Base-Backbone interact. energy: -0.038
local terms energy: -54.982688
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -10.039
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -5.527
tors. eta vs tors. theta energy: -14.715
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -114.870613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.870613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.876502 (E_RNA)
where:
Base-Base interactions energy: -61.105
where: short stacking energy: -33.122
Base-Backbone interact. energy: -1.353
local terms energy: -52.418596
where:
bonds (distance) C4'-P energy: -8.083
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -6.097
Dist. restrs. and SS energy: 0.006 (S_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: -204.538078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.538078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.736497 (E_RNA)
where:
Base-Base interactions energy: -125.685
where: short stacking energy: -74.896
Base-Backbone interact. energy: -0.010
local terms energy: -79.041398
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -21.641
Dist. restrs. and SS energy: 0.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -189.646451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.646451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.692185 (E_RNA)
where:
Base-Base interactions energy: -115.398
where: short stacking energy: -72.829
Base-Backbone interact. energy: -0.288
local terms energy: -74.005888
where:
bonds (distance) C4'-P energy: -12.975
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -19.432
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -18.780
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -184.977042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.977042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.154482 (E_RNA)
where:
Base-Base interactions energy: -117.753
where: short stacking energy: -70.877
Base-Backbone interact. energy: -0.043
local terms energy: -67.358397
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -7.112
tors. eta vs tors. theta energy: -14.171
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -183.230664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.230664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.279790 (E_RNA)
where:
Base-Base interactions energy: -114.447
where: short stacking energy: -56.501
Base-Backbone interact. energy: -0.052
local terms energy: -68.780492
where:
bonds (distance) C4'-P energy: -17.716
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -7.312
tors. eta vs tors. theta energy: -14.452
Dist. restrs. and SS energy: 0.049 (S_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: 147
Temperature: 1.100000
Total energy: -159.004291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.004291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.004291 (E_RNA)
where:
Base-Base interactions energy: -94.073
where: short stacking energy: -53.298
Base-Backbone interact. energy: -0.605
local terms energy: -64.326678
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -12.517
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: 6, replica: 1
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -153.482330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.482330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.493765 (E_RNA)
where:
Base-Base interactions energy: -97.441
where: short stacking energy: -50.032
Base-Backbone interact. energy: -0.206
local terms energy: -55.847337
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -12.861
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -7.617
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -142.406607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.406607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.417167 (E_RNA)
where:
Base-Base interactions energy: -83.850
where: short stacking energy: -40.053
Base-Backbone interact. energy: -0.130
local terms energy: -58.437294
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -9.699
Dist. restrs. and SS energy: 0.011 (S_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: 147
Temperature: 1.250000
Total energy: -147.434754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.434754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.482816 (E_RNA)
where:
Base-Base interactions energy: -78.836
where: short stacking energy: -44.174
Base-Backbone interact. energy: -0.789
local terms energy: -67.857956
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -13.506
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -132.169885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.169885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.169885 (E_RNA)
where:
Base-Base interactions energy: -79.293
where: short stacking energy: -43.885
Base-Backbone interact. energy: 1.231
local terms energy: -54.108700
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -4.011
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: 5
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -124.423150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.423150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.470515 (E_RNA)
where:
Base-Base interactions energy: -73.028
where: short stacking energy: -34.268
Base-Backbone interact. energy: 0.410
local terms energy: -51.852680
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -10.076
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -4.587
Dist. restrs. and SS energy: 0.047 (S_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: 148
Temperature: 0.900000
Total energy: -197.991369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.991369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.036105 (E_RNA)
where:
Base-Base interactions energy: -119.976
where: short stacking energy: -67.670
Base-Backbone interact. energy: -0.953
local terms energy: -77.106757
where:
bonds (distance) C4'-P energy: -12.023
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -18.352
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -183.083575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.083575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.255040 (E_RNA)
where:
Base-Base interactions energy: -107.260
where: short stacking energy: -64.826
Base-Backbone interact. energy: -0.217
local terms energy: -75.777577
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -18.288
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -19.699
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -180.375098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.375098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.437145 (E_RNA)
where:
Base-Base interactions energy: -113.952
where: short stacking energy: -72.464
Base-Backbone interact. energy: 0.525
local terms energy: -67.009625
where:
bonds (distance) C4'-P energy: -10.217
bonds (distance) P-C4' energy: -11.622
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -17.645
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -162.211005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.211005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.211005 (E_RNA)
where:
Base-Base interactions energy: -95.444
where: short stacking energy: -57.312
Base-Backbone interact. energy: -0.415
local terms energy: -66.352532
where:
bonds (distance) C4'-P energy: -11.104
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -13.723
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: 148
Temperature: 1.100000
Total energy: -169.454029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.454029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.156335 (E_RNA)
where:
Base-Base interactions energy: -104.326
where: short stacking energy: -62.190
Base-Backbone interact. energy: -0.003
local terms energy: -65.828051
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -10.492
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -5.337
tors. eta vs tors. theta energy: -18.605
Dist. restrs. and SS energy: 0.702 (S_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: 148
Temperature: 1.150000
Total energy: -153.540987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.540987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.889272 (E_RNA)
where:
Base-Base interactions energy: -89.547
where: short stacking energy: -51.298
Base-Backbone interact. energy: -0.309
local terms energy: -64.033032
where:
bonds (distance) C4'-P energy: -11.037
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -14.216
Dist. restrs. and SS energy: 0.348 (S_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: 148
Temperature: 1.200000
Total energy: -148.893058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.893058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.947253 (E_RNA)
where:
Base-Base interactions energy: -83.137
where: short stacking energy: -44.530
Base-Backbone interact. energy: -1.115
local terms energy: -64.695343
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -7.551
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -139.516490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.516490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.516490 (E_RNA)
where:
Base-Base interactions energy: -91.014
where: short stacking energy: -51.937
Base-Backbone interact. energy: -0.061
local terms energy: -48.441383
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -7.934
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: -9.266
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: 5
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -127.390893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.390893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.434693 (E_RNA)
where:
Base-Base interactions energy: -71.747
where: short stacking energy: -44.655
Base-Backbone interact. energy: -0.145
local terms energy: -55.542220
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -9.038
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -6.233
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -118.422840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.422840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.422840 (E_RNA)
where:
Base-Base interactions energy: -61.070
where: short stacking energy: -38.063
Base-Backbone interact. energy: -0.783
local terms energy: -56.569342
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -15.618
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: -5.657
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -193.425718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.425718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.488545 (E_RNA)
where:
Base-Base interactions energy: -117.044
where: short stacking energy: -61.632
Base-Backbone interact. energy: -0.229
local terms energy: -76.214707
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: -17.775
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -186.517381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.517381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.517381 (E_RNA)
where:
Base-Base interactions energy: -112.398
where: short stacking energy: -68.081
Base-Backbone interact. energy: -0.048
local terms energy: -74.071633
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -14.672
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -185.251882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.251882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.509353 (E_RNA)
where:
Base-Base interactions energy: -110.989
where: short stacking energy: -57.721
Base-Backbone interact. energy: -0.228
local terms energy: -74.292431
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -19.488
Dist. restrs. and SS energy: 0.257 (S_DIST_RNA)
chem. 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: -165.112165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.112165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.112165 (E_RNA)
where:
Base-Base interactions energy: -102.029
where: short stacking energy: -49.593
Base-Backbone interact. energy: -0.110
local terms energy: -62.973021
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -7.192
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -163.713313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.713313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.946157 (E_RNA)
where:
Base-Base interactions energy: -102.173
where: short stacking energy: -50.007
Base-Backbone interact. energy: -0.020
local terms energy: -61.752949
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -10.948
Dist. restrs. and SS energy: 0.233 (S_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: 149
Temperature: 1.150000
Total energy: -147.710507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.710507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.775183 (E_RNA)
where:
Base-Base interactions energy: -83.981
where: short stacking energy: -49.347
Base-Backbone interact. energy: -0.115
local terms energy: -63.678646
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -17.609
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -6.469
Dist. restrs. and SS energy: 0.065 (S_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: 149
Temperature: 1.200000
Total energy: -135.905082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.905082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.127347 (E_RNA)
where:
Base-Base interactions energy: -74.787
where: short stacking energy: -30.008
Base-Backbone interact. energy: -0.108
local terms energy: -61.232430
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -5.937
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -129.321114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.321114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.339401 (E_RNA)
where:
Base-Base interactions energy: -60.501
where: short stacking energy: -36.990
Base-Backbone interact. energy: -0.339
local terms energy: -68.498890
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -17.725
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -10.058
Dist. restrs. and SS energy: 0.018 (S_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: 149
Temperature: 1.300000
Total energy: -131.423120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.423120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.423120 (E_RNA)
where:
Base-Base interactions energy: -75.587
where: short stacking energy: -40.699
Base-Backbone interact. energy: -0.189
local terms energy: -55.647384
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -10.444
flat angles P-C4'-P energy: -5.230
tors. eta vs tors. theta energy: -10.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -130.164149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.164149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.164149 (E_RNA)
where:
Base-Base interactions energy: -70.654
where: short stacking energy: -39.911
Base-Backbone interact. energy: -0.010
local terms energy: -59.500514
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -8.252
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: 9
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -195.410839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.410839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.849896 (E_RNA)
where:
Base-Base interactions energy: -117.929
where: short stacking energy: -68.674
Base-Backbone interact. energy: -0.001
local terms energy: -77.920176
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -16.490
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -12.759
tors. eta vs tors. theta energy: -17.163
Dist. restrs. and SS energy: 0.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -205.737987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.737987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.815624 (E_RNA)
where:
Base-Base interactions energy: -131.571
where: short stacking energy: -70.704
Base-Backbone interact. energy: -0.025
local terms energy: -74.219378
where:
bonds (distance) C4'-P energy: -12.139
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -20.499
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -179.016711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.016711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.239489 (E_RNA)
where:
Base-Base interactions energy: -106.007
where: short stacking energy: -60.986
Base-Backbone interact. energy: 0.232
local terms energy: -73.463759
where:
bonds (distance) C4'-P energy: -18.146
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -14.787
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. 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: -169.574542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.574542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.880864 (E_RNA)
where:
Base-Base interactions energy: -103.164
where: short stacking energy: -54.949
Base-Backbone interact. energy: 0.427
local terms energy: -67.143461
where:
bonds (distance) C4'-P energy: -18.626
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -5.566
tors. eta vs tors. theta energy: -15.276
Dist. restrs. and SS energy: 0.306 (S_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: 150
Temperature: 1.100000
Total energy: -153.441672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.441672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.735339 (E_RNA)
where:
Base-Base interactions energy: -89.913
where: short stacking energy: -47.635
Base-Backbone interact. energy: 0.372
local terms energy: -64.194145
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -12.873
Dist. restrs. and SS energy: 0.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -163.811373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.811373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.279268 (E_RNA)
where:
Base-Base interactions energy: -99.895
where: short stacking energy: -51.573
Base-Backbone interact. energy: 0.204
local terms energy: -64.588196
where:
bonds (distance) C4'-P energy: -18.415
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -6.254
tors. eta vs tors. theta energy: -11.671
Dist. restrs. and SS energy: 0.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -140.303775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.303775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.393929 (E_RNA)
where:
Base-Base interactions energy: -81.287
where: short stacking energy: -38.368
Base-Backbone interact. energy: -0.116
local terms energy: -58.991653
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -8.114
Dist. restrs. and SS energy: 0.090 (S_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: 150
Temperature: 1.250000
Total energy: -125.336344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.336344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.405164 (E_RNA)
where:
Base-Base interactions energy: -70.511
where: short stacking energy: -40.769
Base-Backbone interact. energy: -0.188
local terms energy: -54.706343
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -11.373
flat angles C4'-P-C4' energy: -18.076
flat angles P-C4'-P energy: -5.995
tors. eta vs tors. theta energy: -3.003
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -135.338530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.338530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.382387 (E_RNA)
where:
Base-Base interactions energy: -72.651
where: short stacking energy: -35.639
Base-Backbone interact. energy: -0.129
local terms energy: -62.602214
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -9.140
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. 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: -116.425032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.425032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.441281 (E_RNA)
where:
Base-Base interactions energy: -69.249
where: short stacking energy: -36.614
Base-Backbone interact. energy: -0.207
local terms energy: -46.985732
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -12.174
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -4.646
tors. eta vs tors. theta energy: -2.011
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -192.469026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.469026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.469026 (E_RNA)
where:
Base-Base interactions energy: -117.921
where: short stacking energy: -64.130
Base-Backbone interact. energy: -0.025
local terms energy: -74.523136
where:
bonds (distance) C4'-P energy: -18.308
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -16.995
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -205.963597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.963597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.304250 (E_RNA)
where:
Base-Base interactions energy: -133.073
where: short stacking energy: -69.041
Base-Backbone interact. energy: -0.655
local terms energy: -72.576835
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -11.254
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -17.950
Dist. restrs. and SS energy: 0.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -179.239330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.239330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.239330 (E_RNA)
where:
Base-Base interactions energy: -109.752
where: short stacking energy: -59.607
Base-Backbone interact. energy: -0.249
local terms energy: -69.237681
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -12.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -188.203584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.203584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.238139 (E_RNA)
where:
Base-Base interactions energy: -113.815
where: short stacking energy: -69.650
Base-Backbone interact. energy: -1.011
local terms energy: -73.412996
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -16.667
Dist. restrs. and SS energy: 0.035 (S_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: 151
Temperature: 1.100000
Total energy: -151.984484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.984484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.984484 (E_RNA)
where:
Base-Base interactions energy: -98.128
where: short stacking energy: -52.468
Base-Backbone interact. energy: 3.374
local terms energy: -57.231202
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -13.860
flat angles C4'-P-C4' energy: -6.403
flat angles P-C4'-P energy: -13.789
tors. eta vs tors. theta energy: -6.603
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -164.296657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.296657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.304641 (E_RNA)
where:
Base-Base interactions energy: -100.156
where: short stacking energy: -52.359
Base-Backbone interact. energy: -0.264
local terms energy: -63.885125
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -13.335
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. 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: -155.379530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.379530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.379530 (E_RNA)
where:
Base-Base interactions energy: -93.405
where: short stacking energy: -50.482
Base-Backbone interact. energy: -0.232
local terms energy: -61.742502
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -9.626
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -127.132341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.132341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.415099 (E_RNA)
where:
Base-Base interactions energy: -70.916
where: short stacking energy: -37.206
Base-Backbone interact. energy: -0.451
local terms energy: -56.047888
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -3.699
tors. eta vs tors. theta energy: -5.295
Dist. restrs. and SS energy: 0.283 (S_DIST_RNA)
chem. 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: -117.341639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.341639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.341639 (E_RNA)
where:
Base-Base interactions energy: -69.782
where: short stacking energy: -34.719
Base-Backbone interact. energy: -0.138
local terms energy: -47.420978
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -2.321
tors. eta vs tors. theta energy: -2.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -127.072437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.072437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.078258 (E_RNA)
where:
Base-Base interactions energy: -81.475
where: short stacking energy: -35.694
Base-Backbone interact. energy: -0.081
local terms energy: -45.522586
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -8.170
flat angles P-C4'-P energy: -6.238
tors. eta vs tors. theta energy: -0.927
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -210.281942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.281942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.643466 (E_RNA)
where:
Base-Base interactions energy: -131.198
where: short stacking energy: -74.703
Base-Backbone interact. energy: -0.252
local terms energy: -79.193716
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -17.854
Dist. restrs. and SS energy: 0.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -193.785066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.785066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.785066 (E_RNA)
where:
Base-Base interactions energy: -117.007
where: short stacking energy: -63.178
Base-Backbone interact. energy: -0.085
local terms energy: -76.693450
where:
bonds (distance) C4'-P energy: -17.918
bonds (distance) P-C4' energy: -16.800
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -17.455
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: 152
Temperature: 1.000000
Total energy: -182.308830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.308830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.321187 (E_RNA)
where:
Base-Base interactions energy: -110.480
where: short stacking energy: -59.838
Base-Backbone interact. energy: -0.000
local terms energy: -71.840765
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -20.410
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -168.187308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.187308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.523567 (E_RNA)
where:
Base-Base interactions energy: -92.859
where: short stacking energy: -46.153
Base-Backbone interact. energy: -0.042
local terms energy: -75.621848
where:
bonds (distance) C4'-P energy: -18.804
bonds (distance) P-C4' energy: -15.528
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -13.807
Dist. restrs. and SS energy: 0.336 (S_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: 152
Temperature: 1.100000
Total energy: -160.736515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.736515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.849625 (E_RNA)
where:
Base-Base interactions energy: -109.923
where: short stacking energy: -51.076
Base-Backbone interact. energy: 1.308
local terms energy: -52.233952
where:
bonds (distance) C4'-P energy: -12.015
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -8.403
flat angles P-C4'-P energy: -6.652
tors. eta vs tors. theta energy: -10.499
Dist. restrs. and SS energy: 0.113 (S_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: 152
Temperature: 1.150000
Total energy: -135.045002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.045002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.105768 (E_RNA)
where:
Base-Base interactions energy: -77.098
where: short stacking energy: -46.552
Base-Backbone interact. energy: -0.286
local terms energy: -57.721783
where:
bonds (distance) C4'-P energy: -11.195
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -11.629
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -8.071
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -154.713134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.713134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.894582 (E_RNA)
where:
Base-Base interactions energy: -101.247
where: short stacking energy: -41.989
Base-Backbone interact. energy: -0.122
local terms energy: -53.525523
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -7.840
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -10.213
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -129.856712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.856712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.889908 (E_RNA)
where:
Base-Base interactions energy: -79.983
where: short stacking energy: -38.189
Base-Backbone interact. energy: -0.215
local terms energy: -49.692653
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -11.333
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -3.400
tors. eta vs tors. theta energy: -4.300
Dist. restrs. and SS energy: 0.033 (S_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: 152
Temperature: 1.300000
Total energy: -145.094020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.094020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.105516 (E_RNA)
where:
Base-Base interactions energy: -90.845
where: short stacking energy: -49.788
Base-Backbone interact. energy: -0.182
local terms energy: -54.077994
where:
bonds (distance) C4'-P energy: -8.535
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -5.266
tors. eta vs tors. theta energy: -14.230
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -124.122868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.122868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.432922 (E_RNA)
where:
Base-Base interactions energy: -73.550
where: short stacking energy: -34.507
Base-Backbone interact. energy: -0.527
local terms energy: -50.355436
where:
bonds (distance) C4'-P energy: -9.847
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -2.926
Dist. restrs. and SS energy: 0.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -209.764468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.764468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.952506 (E_RNA)
where:
Base-Base interactions energy: -135.606
where: short stacking energy: -67.789
Base-Backbone interact. energy: -0.286
local terms energy: -74.060774
where:
bonds (distance) C4'-P energy: -11.614
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -17.329
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -194.368849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.368849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.460645 (E_RNA)
where:
Base-Base interactions energy: -118.391
where: short stacking energy: -68.891
Base-Backbone interact. energy: -0.323
local terms energy: -75.747456
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -21.141
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -150.581709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.581709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.581709 (E_RNA)
where:
Base-Base interactions energy: -84.322
where: short stacking energy: -44.710
Base-Backbone interact. energy: -0.179
local terms energy: -66.080095
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -9.347
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -179.873933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.873933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.896042 (E_RNA)
where:
Base-Base interactions energy: -111.423
where: short stacking energy: -59.657
Base-Backbone interact. energy: -0.722
local terms energy: -67.750698
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -14.412
Dist. restrs. and SS energy: 0.022 (S_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: 153
Temperature: 1.100000
Total energy: -162.502558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.502558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.586470 (E_RNA)
where:
Base-Base interactions energy: -101.157
where: short stacking energy: -53.616
Base-Backbone interact. energy: -0.022
local terms energy: -61.407456
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -5.121
tors. eta vs tors. theta energy: -12.504
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. 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: -151.594628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.594628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.594628 (E_RNA)
where:
Base-Base interactions energy: -88.462
where: short stacking energy: -43.476
Base-Backbone interact. energy: -0.181
local terms energy: -62.952090
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -14.996
flat angles C4'-P-C4' energy: -10.163
flat angles P-C4'-P energy: -14.202
tors. eta vs tors. theta energy: -8.329
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -140.331291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.331291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.683727 (E_RNA)
where:
Base-Base interactions energy: -83.674
where: short stacking energy: -43.382
Base-Backbone interact. energy: -0.171
local terms energy: -56.838590
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -11.662
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -6.467
tors. eta vs tors. theta energy: -11.833
Dist. restrs. and SS energy: 0.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -131.432727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.432727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.470121 (E_RNA)
where:
Base-Base interactions energy: -79.195
where: short stacking energy: -46.778
Base-Backbone interact. energy: -0.028
local terms energy: -52.246590
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -9.484
flat angles P-C4'-P energy: -5.604
tors. eta vs tors. theta energy: -6.983
Dist. restrs. and SS energy: 0.037 (S_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: 153
Temperature: 1.300000
Total energy: -112.328375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.328375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.406405 (E_RNA)
where:
Base-Base interactions energy: -56.117
where: short stacking energy: -25.056
Base-Backbone interact. energy: -0.517
local terms energy: -55.772951
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: 0.760
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -125.953098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.953098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.955974 (E_RNA)
where:
Base-Base interactions energy: -75.523
where: short stacking energy: -43.381
Base-Backbone interact. energy: -0.168
local terms energy: -50.265060
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -8.974
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -5.246
tors. eta vs tors. theta energy: -9.132
Dist. restrs. and SS energy: 0.003 (S_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: 154
Temperature: 0.900000
Total energy: -205.469421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.469421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.469421 (E_RNA)
where:
Base-Base interactions energy: -130.693
where: short stacking energy: -67.096
Base-Backbone interact. energy: -0.167
local terms energy: -74.609151
where:
bonds (distance) C4'-P energy: -14.647
bonds (distance) P-C4' energy: -16.953
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -17.301
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -191.854447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.854447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.117281 (E_RNA)
where:
Base-Base interactions energy: -110.631
where: short stacking energy: -65.783
Base-Backbone interact. energy: -0.067
local terms energy: -81.418951
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -19.892
Dist. restrs. and SS energy: 0.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -172.746784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.746784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.997777 (E_RNA)
where:
Base-Base interactions energy: -104.170
where: short stacking energy: -51.687
Base-Backbone interact. energy: -0.005
local terms energy: -68.822843
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -11.495
flat angles P-C4'-P energy: -14.747
tors. eta vs tors. theta energy: -13.354
Dist. restrs. and SS energy: 0.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -159.628044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.628044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.628044 (E_RNA)
where:
Base-Base interactions energy: -97.737
where: short stacking energy: -52.509
Base-Backbone interact. energy: -0.005
local terms energy: -61.885689
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -4.932
tors. eta vs tors. theta energy: -13.622
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -157.249899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.249899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.249899 (E_RNA)
where:
Base-Base interactions energy: -85.450
where: short stacking energy: -37.669
Base-Backbone interact. energy: -0.958
local terms energy: -70.841870
where:
bonds (distance) C4'-P energy: -18.600
bonds (distance) P-C4' energy: -17.306
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -10.537
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: 6
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -158.760921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.760921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.910675 (E_RNA)
where:
Base-Base interactions energy: -93.051
where: short stacking energy: -51.231
Base-Backbone interact. energy: -0.020
local terms energy: -65.839213
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -10.587
Dist. restrs. and SS energy: 0.150 (S_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: 154
Temperature: 1.200000
Total energy: -131.258647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.258647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.343279 (E_RNA)
where:
Base-Base interactions energy: -71.007
where: short stacking energy: -37.592
Base-Backbone interact. energy: -0.011
local terms energy: -60.325140
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -16.849
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -3.591
Dist. restrs. and SS energy: 0.085 (S_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: 154
Temperature: 1.250000
Total energy: -139.781220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.781220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.010493 (E_RNA)
where:
Base-Base interactions energy: -74.134
where: short stacking energy: -38.646
Base-Backbone interact. energy: -0.132
local terms energy: -65.744292
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -11.055
Dist. restrs. and SS energy: 0.229 (S_DIST_RNA)
chem. 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: -122.750241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.750241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.750241 (E_RNA)
where:
Base-Base interactions energy: -73.565
where: short stacking energy: -33.582
Base-Backbone interact. energy: -0.177
local terms energy: -49.008597
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -11.219
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -6.037
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: 8
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -131.151019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.151019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.240116 (E_RNA)
where:
Base-Base interactions energy: -78.665
where: short stacking energy: -43.160
Base-Backbone interact. energy: 1.564
local terms energy: -54.138709
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -4.693
tors. eta vs tors. theta energy: -9.688
Dist. restrs. and SS energy: 0.089 (S_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: 155
Temperature: 0.900000
Total energy: -195.883386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.883386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.883386 (E_RNA)
where:
Base-Base interactions energy: -117.847
where: short stacking energy: -64.479
Base-Backbone interact. energy: 1.265
local terms energy: -79.301401
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -20.836
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -195.243422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.243422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.690059 (E_RNA)
where:
Base-Base interactions energy: -122.591
where: short stacking energy: -73.996
Base-Backbone interact. energy: -0.134
local terms energy: -72.965396
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -18.390
Dist. restrs. and SS energy: 0.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -178.807476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.807476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.207471 (E_RNA)
where:
Base-Base interactions energy: -108.844
where: short stacking energy: -65.633
Base-Backbone interact. energy: 1.942
local terms energy: -72.305223
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -14.676
Dist. restrs. and SS energy: 0.400 (S_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: 155
Temperature: 1.050000
Total energy: -156.761305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.761305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.766679 (E_RNA)
where:
Base-Base interactions energy: -86.660
where: short stacking energy: -47.761
Base-Backbone interact. energy: -0.025
local terms energy: -70.081366
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -11.774
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -170.704886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.704886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.787255 (E_RNA)
where:
Base-Base interactions energy: -110.036
where: short stacking energy: -59.145
Base-Backbone interact. energy: 3.460
local terms energy: -64.210802
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -5.941
tors. eta vs tors. theta energy: -14.967
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. 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: -159.767884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.767884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.012195 (E_RNA)
where:
Base-Base interactions energy: -102.699
where: short stacking energy: -48.741
Base-Backbone interact. energy: -0.053
local terms energy: -57.260525
where:
bonds (distance) C4'-P energy: -5.001
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -11.723
Dist. restrs. and SS energy: 0.244 (S_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: 155
Temperature: 1.200000
Total energy: -152.750075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.750075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.750075 (E_RNA)
where:
Base-Base interactions energy: -86.227
where: short stacking energy: -55.946
Base-Backbone interact. energy: -0.046
local terms energy: -66.477207
where:
bonds (distance) C4'-P energy: -9.340
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -12.974
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: 2
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -131.374950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.374950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.375863 (E_RNA)
where:
Base-Base interactions energy: -75.995
where: short stacking energy: -37.643
Base-Backbone interact. energy: -0.705
local terms energy: -54.675996
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -8.842
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -8.548
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -124.332197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.332197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.375483 (E_RNA)
where:
Base-Base interactions energy: -67.056
where: short stacking energy: -25.614
Base-Backbone interact. energy: 0.201
local terms energy: -57.520896
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -4.122
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -144.569287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.569287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.595754 (E_RNA)
where:
Base-Base interactions energy: -88.058
where: short stacking energy: -52.192
Base-Backbone interact. energy: -0.232
local terms energy: -56.305426
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -3.417
tors. eta vs tors. theta energy: -9.195
Dist. restrs. and SS energy: 0.026 (S_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: 156
Temperature: 0.900000
Total energy: -186.692488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.692488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.767857 (E_RNA)
where:
Base-Base interactions energy: -111.130
where: short stacking energy: -61.779
Base-Backbone interact. energy: -0.079
local terms energy: -75.559101
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -16.152
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -186.190685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.190685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.221314 (E_RNA)
where:
Base-Base interactions energy: -110.355
where: short stacking energy: -57.469
Base-Backbone interact. energy: -0.070
local terms energy: -75.795989
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -18.261
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -18.284
Dist. restrs. and SS energy: 0.031 (S_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: 156
Temperature: 1.000000
Total energy: -177.771176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.771176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.155728 (E_RNA)
where:
Base-Base interactions energy: -111.068
where: short stacking energy: -60.471
Base-Backbone interact. energy: -0.647
local terms energy: -66.441195
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -18.263
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -5.271
tors. eta vs tors. theta energy: -13.401
Dist. restrs. and SS energy: 0.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -172.339326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.339326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.339326 (E_RNA)
where:
Base-Base interactions energy: -104.821
where: short stacking energy: -57.185
Base-Backbone interact. energy: -0.055
local terms energy: -67.463125
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -14.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -153.313837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.313837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.319388 (E_RNA)
where:
Base-Base interactions energy: -90.336
where: short stacking energy: -43.918
Base-Backbone interact. energy: -0.381
local terms energy: -62.602629
where:
bonds (distance) C4'-P energy: -14.618
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -8.181
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -162.801517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.801517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.148434 (E_RNA)
where:
Base-Base interactions energy: -100.174
where: short stacking energy: -54.059
Base-Backbone interact. energy: -0.017
local terms energy: -62.958008
where:
bonds (distance) C4'-P energy: -10.449
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: -15.357
Dist. restrs. and SS energy: 0.347 (S_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: 156
Temperature: 1.200000
Total energy: -137.238044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.238044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.238949 (E_RNA)
where:
Base-Base interactions energy: -79.131
where: short stacking energy: -42.485
Base-Backbone interact. energy: -0.854
local terms energy: -57.254573
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -7.582
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -139.733404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.733404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.926916 (E_RNA)
where:
Base-Base interactions energy: -79.553
where: short stacking energy: -43.746
Base-Backbone interact. energy: -0.284
local terms energy: -60.089334
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -6.048
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -128.433970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.433970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.450157 (E_RNA)
where:
Base-Base interactions energy: -73.894
where: short stacking energy: -41.888
Base-Backbone interact. energy: -0.068
local terms energy: -54.488184
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -4.685
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -125.885458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.885458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.940844 (E_RNA)
where:
Base-Base interactions energy: -71.714
where: short stacking energy: -44.432
Base-Backbone interact. energy: -0.162
local terms energy: -54.065199
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -3.723
Dist. restrs. and SS energy: 0.055 (S_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: 157
Temperature: 0.900000
Total energy: -180.923204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.923204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.116794 (E_RNA)
where:
Base-Base interactions energy: -112.259
where: short stacking energy: -60.349
Base-Backbone interact. energy: -0.856
local terms energy: -68.001358
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -11.031
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -196.933347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.933347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.983289 (E_RNA)
where:
Base-Base interactions energy: -117.045
where: short stacking energy: -69.270
Base-Backbone interact. energy: -1.948
local terms energy: -77.990517
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -17.949
Dist. restrs. and SS energy: 0.050 (S_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: 157
Temperature: 1.000000
Total energy: -174.399543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.399543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.180558 (E_RNA)
where:
Base-Base interactions energy: -98.052
where: short stacking energy: -57.601
Base-Backbone interact. energy: -0.682
local terms energy: -76.445900
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -17.702
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -10.673
Dist. restrs. and SS energy: 0.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -169.575483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.575483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.975928 (E_RNA)
where:
Base-Base interactions energy: -103.379
where: short stacking energy: -53.870
Base-Backbone interact. energy: -0.242
local terms energy: -66.355111
where:
bonds (distance) C4'-P energy: -12.420
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -15.661
Dist. restrs. and SS energy: 0.400 (S_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: 157
Temperature: 1.100000
Total energy: -164.360429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.360429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.523553 (E_RNA)
where:
Base-Base interactions energy: -96.436
where: short stacking energy: -47.673
Base-Backbone interact. energy: -0.156
local terms energy: -67.931467
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -17.555
flat angles P-C4'-P energy: -6.703
tors. eta vs tors. theta energy: -11.840
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -149.984658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.984658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.984658 (E_RNA)
where:
Base-Base interactions energy: -88.967
where: short stacking energy: -50.902
Base-Backbone interact. energy: -0.415
local terms energy: -60.602861
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -12.398
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -142.612238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.612238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.632625 (E_RNA)
where:
Base-Base interactions energy: -90.864
where: short stacking energy: -49.055
Base-Backbone interact. energy: -0.192
local terms energy: -51.576958
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: -7.778
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -146.675840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.675840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.706750 (E_RNA)
where:
Base-Base interactions energy: -80.382
where: short stacking energy: -41.236
Base-Backbone interact. energy: -0.056
local terms energy: -66.268753
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -4.752
tors. eta vs tors. theta energy: -11.972
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. 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: -144.953276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.953276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.987632 (E_RNA)
where:
Base-Base interactions energy: -83.561
where: short stacking energy: -44.760
Base-Backbone interact. energy: -0.041
local terms energy: -61.385931
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -11.123
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -119.641546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.641546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.347331 (E_RNA)
where:
Base-Base interactions energy: -62.897
where: short stacking energy: -31.998
Base-Backbone interact. energy: -0.135
local terms energy: -57.315634
where:
bonds (distance) C4'-P energy: -18.166
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -6.275
tors. eta vs tors. theta energy: -6.930
Dist. restrs. and SS energy: 0.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -196.892329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.892329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.098623 (E_RNA)
where:
Base-Base interactions energy: -115.911
where: short stacking energy: -65.671
Base-Backbone interact. energy: -0.124
local terms energy: -81.063006
where:
bonds (distance) C4'-P energy: -17.561
bonds (distance) P-C4' energy: -16.705
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -13.368
tors. eta vs tors. theta energy: -18.966
Dist. restrs. and SS energy: 0.206 (S_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: 158
Temperature: 0.950000
Total energy: -172.970639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.970639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.972012 (E_RNA)
where:
Base-Base interactions energy: -106.527
where: short stacking energy: -58.268
Base-Backbone interact. energy: -0.596
local terms energy: -65.848370
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -14.780
Dist. restrs. and SS energy: 0.001 (S_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: 158
Temperature: 1.000000
Total energy: -186.885344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.885344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.894003 (E_RNA)
where:
Base-Base interactions energy: -110.121
where: short stacking energy: -56.581
Base-Backbone interact. energy: -0.221
local terms energy: -76.551977
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -16.479
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -17.390
Dist. restrs. and SS energy: 0.009 (S_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: 158
Temperature: 1.050000
Total energy: -168.527143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.527143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.527143 (E_RNA)
where:
Base-Base interactions energy: -94.051
where: short stacking energy: -43.222
Base-Backbone interact. energy: -0.319
local terms energy: -74.157148
where:
bonds (distance) C4'-P energy: -18.762
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -14.717
tors. eta vs tors. theta energy: -8.729
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -163.991072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.991072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.179485 (E_RNA)
where:
Base-Base interactions energy: -96.569
where: short stacking energy: -59.113
Base-Backbone interact. energy: -0.098
local terms energy: -67.512855
where:
bonds (distance) C4'-P energy: -17.719
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -7.927
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -16.395
Dist. restrs. and SS energy: 0.188 (S_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: 158
Temperature: 1.150000
Total energy: -156.028006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.028006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.136134 (E_RNA)
where:
Base-Base interactions energy: -93.038
where: short stacking energy: -47.487
Base-Backbone interact. energy: -0.711
local terms energy: -62.387114
where:
bonds (distance) C4'-P energy: -10.727
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -13.943
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. 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: -145.404291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.404291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.442071 (E_RNA)
where:
Base-Base interactions energy: -79.794
where: short stacking energy: -54.324
Base-Backbone interact. energy: -0.054
local terms energy: -65.593659
where:
bonds (distance) C4'-P energy: -14.445
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -10.532
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -13.022
Dist. restrs. and SS energy: 0.038 (S_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: -122.778571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.778571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.778571 (E_RNA)
where:
Base-Base interactions energy: -69.493
where: short stacking energy: -30.923
Base-Backbone interact. energy: 1.933
local terms energy: -55.218607
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -5.770
tors. eta vs tors. theta energy: -3.678
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -117.901292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.901292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.015312 (E_RNA)
where:
Base-Base interactions energy: -67.304
where: short stacking energy: -39.349
Base-Backbone interact. energy: -0.334
local terms energy: -50.377019
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -4.599
tors. eta vs tors. theta energy: -4.344
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -136.218021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.218021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.321416 (E_RNA)
where:
Base-Base interactions energy: -83.319
where: short stacking energy: -34.519
Base-Backbone interact. energy: -0.357
local terms energy: -52.645423
where:
bonds (distance) C4'-P energy: -14.382
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -11.724
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -5.486
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -194.872831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.872831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.872831 (E_RNA)
where:
Base-Base interactions energy: -119.844
where: short stacking energy: -68.895
Base-Backbone interact. energy: 0.145
local terms energy: -75.173356
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -18.551
flat angles C4'-P-C4' energy: -17.555
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -15.715
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: 2, replica: 6
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -182.747535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.747535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.959023 (E_RNA)
where:
Base-Base interactions energy: -109.140
where: short stacking energy: -59.852
Base-Backbone interact. energy: -0.051
local terms energy: -73.767973
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -16.465
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -16.538
Dist. restrs. and SS energy: 0.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -172.521446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.521446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.686794 (E_RNA)
where:
Base-Base interactions energy: -101.494
where: short stacking energy: -50.231
Base-Backbone interact. energy: -0.548
local terms energy: -70.643959
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -17.349
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -6.272
tors. eta vs tors. theta energy: -16.496
Dist. restrs. and SS energy: 0.165 (S_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: 159
Temperature: 1.050000
Total energy: -175.886842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.886842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.136140 (E_RNA)
where:
Base-Base interactions energy: -108.241
where: short stacking energy: -62.149
Base-Backbone interact. energy: -0.090
local terms energy: -67.805446
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -16.768
Dist. restrs. and SS energy: 0.249 (S_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: 159
Temperature: 1.100000
Total energy: -156.834400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.834400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.873982 (E_RNA)
where:
Base-Base interactions energy: -89.877
where: short stacking energy: -52.193
Base-Backbone interact. energy: -0.664
local terms energy: -66.332546
where:
bonds (distance) C4'-P energy: -9.750
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -12.584
Dist. restrs. and SS energy: 0.040 (S_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: 159
Temperature: 1.150000
Total energy: -156.019283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.019283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.336261 (E_RNA)
where:
Base-Base interactions energy: -98.623
where: short stacking energy: -52.998
Base-Backbone interact. energy: 2.000
local terms energy: -59.713822
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -9.559
Dist. restrs. and SS energy: 0.317 (S_DIST_RNA)
chem. 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: -147.000094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.000094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.074883 (E_RNA)
where:
Base-Base interactions energy: -90.202
where: short stacking energy: -42.196
Base-Backbone interact. energy: -0.100
local terms energy: -56.772184
where:
bonds (distance) C4'-P energy: -12.068
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -5.923
tors. eta vs tors. theta energy: -7.076
Dist. restrs. and SS energy: 0.075 (S_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: 159
Temperature: 1.250000
Total energy: -90.692324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.692324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.594111 (E_RNA)
where:
Base-Base interactions energy: -36.767
where: short stacking energy: -26.276
Base-Backbone interact. energy: -0.432
local terms energy: -57.395434
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -1.192
Dist. restrs. and SS energy: 3.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -127.436627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.436627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.453169 (E_RNA)
where:
Base-Base interactions energy: -76.761
where: short stacking energy: -42.013
Base-Backbone interact. energy: 1.223
local terms energy: -51.915465
where:
bonds (distance) C4'-P energy: -6.242
bonds (distance) P-C4' energy: -11.245
flat angles C4'-P-C4' energy: -18.640
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: -8.321
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -114.913422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.913422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.980727 (E_RNA)
where:
Base-Base interactions energy: -56.163
where: short stacking energy: -27.931
Base-Backbone interact. energy: 0.009
local terms energy: -58.826770
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -7.327
tors. eta vs tors. theta energy: -4.083
Dist. restrs. and SS energy: 0.067 (S_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: 160
Temperature: 0.900000
Total energy: -196.291592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.291592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.540990 (E_RNA)
where:
Base-Base interactions energy: -124.101
where: short stacking energy: -67.824
Base-Backbone interact. energy: -0.564
local terms energy: -71.876627
where:
bonds (distance) C4'-P energy: -11.401
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -18.767
Dist. restrs. and SS energy: 0.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -178.706244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.706244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.864992 (E_RNA)
where:
Base-Base interactions energy: -107.156
where: short stacking energy: -53.022
Base-Backbone interact. energy: -0.173
local terms energy: -72.535819
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -5.896
tors. eta vs tors. theta energy: -17.079
Dist. restrs. and SS energy: 1.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -181.716907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.716907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.883387 (E_RNA)
where:
Base-Base interactions energy: -114.882
where: short stacking energy: -61.337
Base-Backbone interact. energy: -0.043
local terms energy: -66.958977
where:
bonds (distance) C4'-P energy: -10.582
bonds (distance) P-C4' energy: -11.149
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -18.085
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. 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: -163.910887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.910887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.299435 (E_RNA)
where:
Base-Base interactions energy: -95.488
where: short stacking energy: -59.786
Base-Backbone interact. energy: -0.035
local terms energy: -68.775995
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -13.993
Dist. restrs. and SS energy: 0.389 (S_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: 160
Temperature: 1.100000
Total energy: -173.576208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.576208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.072462 (E_RNA)
where:
Base-Base interactions energy: -100.907
where: short stacking energy: -60.923
Base-Backbone interact. energy: -0.324
local terms energy: -72.840894
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -12.646
Dist. restrs. and SS energy: 0.496 (S_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: 160
Temperature: 1.150000
Total energy: -164.234103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.234103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.234103 (E_RNA)
where:
Base-Base interactions energy: -94.000
where: short stacking energy: -51.600
Base-Backbone interact. energy: -0.120
local terms energy: -70.114134
where:
bonds (distance) C4'-P energy: -17.360
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -10.041
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -112.194902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.194902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.194902 (E_RNA)
where:
Base-Base interactions energy: -52.583
where: short stacking energy: -26.526
Base-Backbone interact. energy: -0.705
local terms energy: -58.906213
where:
bonds (distance) C4'-P energy: -16.677
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -3.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -130.317214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.317214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.363274 (E_RNA)
where:
Base-Base interactions energy: -80.878
where: short stacking energy: -41.697
Base-Backbone interact. energy: -0.603
local terms energy: -48.882131
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -2.737
tors. eta vs tors. theta energy: -3.893
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -132.543151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.543151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.578982 (E_RNA)
where:
Base-Base interactions energy: -75.608
where: short stacking energy: -39.997
Base-Backbone interact. energy: -0.093
local terms energy: -56.878341
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -4.771
tors. eta vs tors. theta energy: -10.523
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -110.193459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.193459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.259323 (E_RNA)
where:
Base-Base interactions energy: -68.256
where: short stacking energy: -30.847
Base-Backbone interact. energy: 1.287
local terms energy: -43.290824
where:
bonds (distance) C4'-P energy: -7.868
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -5.811
tors. eta vs tors. theta energy: -2.023
Dist. restrs. and SS energy: 0.066 (S_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: 161
Temperature: 0.900000
Total energy: -198.608364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.608364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.619434 (E_RNA)
where:
Base-Base interactions energy: -126.060
where: short stacking energy: -73.518
Base-Backbone interact. energy: -0.103
local terms energy: -72.456945
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -18.824
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -191.229700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.229700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.462155 (E_RNA)
where:
Base-Base interactions energy: -109.797
where: short stacking energy: -68.471
Base-Backbone interact. energy: -0.003
local terms energy: -81.662547
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -19.405
Dist. restrs. and SS energy: 0.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -180.637978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.637978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.791970 (E_RNA)
where:
Base-Base interactions energy: -107.415
where: short stacking energy: -50.878
Base-Backbone interact. energy: -0.213
local terms energy: -73.163156
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -13.444
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. 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: -181.971549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.971549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.276829 (E_RNA)
where:
Base-Base interactions energy: -110.511
where: short stacking energy: -60.791
Base-Backbone interact. energy: 0.790
local terms energy: -72.555654
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -18.022
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -17.759
Dist. restrs. and SS energy: 0.305 (S_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: 161
Temperature: 1.100000
Total energy: -169.877874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.877874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.895365 (E_RNA)
where:
Base-Base interactions energy: -105.314
where: short stacking energy: -53.141
Base-Backbone interact. energy: -0.095
local terms energy: -64.486612
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -12.667
Dist. restrs. and SS energy: 0.017 (S_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: 161
Temperature: 1.150000
Total energy: -153.766985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.766985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.814459 (E_RNA)
where:
Base-Base interactions energy: -95.429
where: short stacking energy: -49.334
Base-Backbone interact. energy: 0.492
local terms energy: -58.877640
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -15.996
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -4.722
tors. eta vs tors. theta energy: -10.836
Dist. restrs. and SS energy: 0.047 (S_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: 161
Temperature: 1.200000
Total energy: -126.671551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.671551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.671551 (E_RNA)
where:
Base-Base interactions energy: -73.466
where: short stacking energy: -44.846
Base-Backbone interact. energy: -0.130
local terms energy: -53.075820
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -8.903
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -3.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -122.079247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.079247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.187844 (E_RNA)
where:
Base-Base interactions energy: -63.064
where: short stacking energy: -32.727
Base-Backbone interact. energy: 0.059
local terms energy: -59.182071
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -3.955
Dist. restrs. and SS energy: 0.109 (S_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: 161
Temperature: 1.300000
Total energy: -133.717621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.717621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.717621 (E_RNA)
where:
Base-Base interactions energy: -78.005
where: short stacking energy: -41.317
Base-Backbone interact. energy: -0.086
local terms energy: -55.626389
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -4.404
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -8.816
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -120.375900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.375900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.375900 (E_RNA)
where:
Base-Base interactions energy: -72.371
where: short stacking energy: -38.576
Base-Backbone interact. energy: -0.285
local terms energy: -47.720043
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -13.403
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: -0.003
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -201.011078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.011078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.244965 (E_RNA)
where:
Base-Base interactions energy: -118.832
where: short stacking energy: -71.287
Base-Backbone interact. energy: -0.461
local terms energy: -81.951651
where:
bonds (distance) C4'-P energy: -17.396
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -12.283
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -21.427
Dist. restrs. and SS energy: 0.234 (S_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: 162
Temperature: 0.950000
Total energy: -187.220592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.220592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.220592 (E_RNA)
where:
Base-Base interactions energy: -112.760
where: short stacking energy: -68.285
Base-Backbone interact. energy: -0.087
local terms energy: -74.373508
where:
bonds (distance) C4'-P energy: -19.036
bonds (distance) P-C4' energy: -16.292
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -15.359
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: 1
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -187.628310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.628310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.690081 (E_RNA)
where:
Base-Base interactions energy: -117.669
where: short stacking energy: -67.216
Base-Backbone interact. energy: -0.037
local terms energy: -69.984701
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -17.353
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -165.940128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.940128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.980704 (E_RNA)
where:
Base-Base interactions energy: -100.800
where: short stacking energy: -55.291
Base-Backbone interact. energy: -0.206
local terms energy: -64.973920
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -9.307
Dist. restrs. and SS energy: 0.041 (S_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: 162
Temperature: 1.100000
Total energy: -167.266150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.266150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.292077 (E_RNA)
where:
Base-Base interactions energy: -94.194
where: short stacking energy: -52.229
Base-Backbone interact. energy: -0.071
local terms energy: -73.026748
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -13.699
flat angles C4'-P-C4' energy: -19.202
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: -15.688
Dist. restrs. and SS energy: 0.026 (S_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: 162
Temperature: 1.150000
Total energy: -158.456497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.456497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.456497 (E_RNA)
where:
Base-Base interactions energy: -96.751
where: short stacking energy: -52.656
Base-Backbone interact. energy: -0.037
local terms energy: -61.669070
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -8.251
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: 7, replica: 7
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -142.803469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.803469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.803469 (E_RNA)
where:
Base-Base interactions energy: -79.458
where: short stacking energy: -44.409
Base-Backbone interact. energy: -1.062
local terms energy: -62.282883
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -12.427
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: 8, replica: 2
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -138.169113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.169113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.169113 (E_RNA)
where:
Base-Base interactions energy: -71.902
where: short stacking energy: -45.103
Base-Backbone interact. energy: -0.252
local terms energy: -66.015124
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -20.026
flat angles C4'-P-C4' energy: -11.725
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -8.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -121.469441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.469441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.643391 (E_RNA)
where:
Base-Base interactions energy: -63.169
where: short stacking energy: -40.710
Base-Backbone interact. energy: -0.115
local terms energy: -58.359393
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -11.606
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -10.662
Dist. restrs. and SS energy: 0.174 (S_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: 162
Temperature: 1.350000
Total energy: -130.759116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.759116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.753706 (E_RNA)
where:
Base-Base interactions energy: -80.609
where: short stacking energy: -41.467
Base-Backbone interact. energy: 3.982
local terms energy: -55.126682
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -2.073
tors. eta vs tors. theta energy: -10.009
Dist. restrs. and SS energy: 0.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -205.290426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.290426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.314642 (E_RNA)
where:
Base-Base interactions energy: -119.952
where: short stacking energy: -72.651
Base-Backbone interact. energy: -0.008
local terms energy: -85.355389
where:
bonds (distance) C4'-P energy: -18.804
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -14.692
tors. eta vs tors. theta energy: -18.084
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -189.336447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.336447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.336447 (E_RNA)
where:
Base-Base interactions energy: -114.038
where: short stacking energy: -73.524
Base-Backbone interact. energy: -0.000
local terms energy: -75.298287
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -19.167
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -177.903128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.903128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.903128 (E_RNA)
where:
Base-Base interactions energy: -108.001
where: short stacking energy: -53.823
Base-Backbone interact. energy: -0.321
local terms energy: -69.580701
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -14.064
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -175.775517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.775517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.105659 (E_RNA)
where:
Base-Base interactions energy: -99.655
where: short stacking energy: -52.761
Base-Backbone interact. energy: -0.067
local terms energy: -76.382928
where:
bonds (distance) C4'-P energy: -15.496
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -17.356
Dist. restrs. and SS energy: 0.330 (S_DIST_RNA)
chem. 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: -179.426660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.426660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.024409 (E_RNA)
where:
Base-Base interactions energy: -107.028
where: short stacking energy: -63.754
Base-Backbone interact. energy: -0.004
local terms energy: -72.992500
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -17.313
Dist. restrs. and SS energy: 0.598 (S_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: 163
Temperature: 1.150000
Total energy: -158.146557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.146557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.152525 (E_RNA)
where:
Base-Base interactions energy: -96.976
where: short stacking energy: -51.601
Base-Backbone interact. energy: -0.056
local terms energy: -61.120235
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -17.496
flat angles P-C4'-P energy: -4.756
tors. eta vs tors. theta energy: -14.337
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -153.206135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.206135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.225073 (E_RNA)
where:
Base-Base interactions energy: -93.507
where: short stacking energy: -55.466
Base-Backbone interact. energy: 0.044
local terms energy: -59.762966
where:
bonds (distance) C4'-P energy: -11.646
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -8.951
Dist. restrs. and SS energy: 0.019 (S_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: 163
Temperature: 1.250000
Total energy: -122.090499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.090499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.090499 (E_RNA)
where:
Base-Base interactions energy: -72.536
where: short stacking energy: -43.488
Base-Backbone interact. energy: -0.127
local terms energy: -49.427896
where:
bonds (distance) C4'-P energy: -9.882
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -3.341
tors. eta vs tors. theta energy: -7.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -127.151104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.151104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.238927 (E_RNA)
where:
Base-Base interactions energy: -68.833
where: short stacking energy: -40.288
Base-Backbone interact. energy: 0.141
local terms energy: -58.546617
where:
bonds (distance) C4'-P energy: -8.982
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -5.247
tors. eta vs tors. theta energy: -17.130
Dist. restrs. and SS energy: 0.088 (S_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: 163
Temperature: 1.350000
Total energy: -140.393817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.393817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.393817 (E_RNA)
where:
Base-Base interactions energy: -79.591
where: short stacking energy: -46.994
Base-Backbone interact. energy: -0.339
local terms energy: -60.463476
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -11.687
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -10.440
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: 1, replica: 4
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -199.324291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.324291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.436940 (E_RNA)
where:
Base-Base interactions energy: -119.960
where: short stacking energy: -69.539
Base-Backbone interact. energy: -0.000
local terms energy: -79.476739
where:
bonds (distance) C4'-P energy: -15.827
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -19.416
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -179.453591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.453591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.608701 (E_RNA)
where:
Base-Base interactions energy: -110.194
where: short stacking energy: -58.654
Base-Backbone interact. energy: -0.034
local terms energy: -69.381130
where:
bonds (distance) C4'-P energy: -11.729
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -14.845
Dist. restrs. and SS energy: 0.155 (S_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: 164
Temperature: 1.000000
Total energy: -178.421278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.421278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.421278 (E_RNA)
where:
Base-Base interactions energy: -105.550
where: short stacking energy: -67.274
Base-Backbone interact. energy: -0.119
local terms energy: -72.752491
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -17.419
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -171.804740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.804740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.842117 (E_RNA)
where:
Base-Base interactions energy: -109.280
where: short stacking energy: -63.419
Base-Backbone interact. energy: 0.463
local terms energy: -63.025240
where:
bonds (distance) C4'-P energy: -8.022
bonds (distance) P-C4' energy: -10.435
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -17.550
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -177.891564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.891564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.335039 (E_RNA)
where:
Base-Base interactions energy: -100.069
where: short stacking energy: -56.700
Base-Backbone interact. energy: -0.179
local terms energy: -78.087503
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -16.845
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -17.357
Dist. restrs. and SS energy: 0.443 (S_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: 164
Temperature: 1.150000
Total energy: -142.171063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.171063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.308957 (E_RNA)
where:
Base-Base interactions energy: -78.888
where: short stacking energy: -36.389
Base-Backbone interact. energy: -0.991
local terms energy: -62.429623
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -7.012
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -152.950187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.950187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.034052 (E_RNA)
where:
Base-Base interactions energy: -86.187
where: short stacking energy: -49.970
Base-Backbone interact. energy: -0.097
local terms energy: -66.750955
where:
bonds (distance) C4'-P energy: -11.571
bonds (distance) P-C4' energy: -19.367
flat angles C4'-P-C4' energy: -11.201
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -13.693
Dist. restrs. and SS energy: 0.084 (S_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: 164
Temperature: 1.250000
Total energy: -145.533353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.533353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.572202 (E_RNA)
where:
Base-Base interactions energy: -98.986
where: short stacking energy: -43.174
Base-Backbone interact. energy: -0.102
local terms energy: -46.484339
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -9.394
flat angles C4'-P-C4' energy: -11.112
flat angles P-C4'-P energy: -5.392
tors. eta vs tors. theta energy: -5.726
Dist. restrs. and SS energy: 0.039 (S_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: 164
Temperature: 1.300000
Total energy: -118.620240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.620240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.622940 (E_RNA)
where:
Base-Base interactions energy: -60.971
where: short stacking energy: -30.633
Base-Backbone interact. energy: -0.702
local terms energy: -56.950267
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: -0.560
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -134.552946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.552946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.573166 (E_RNA)
where:
Base-Base interactions energy: -75.280
where: short stacking energy: -40.871
Base-Backbone interact. energy: -0.103
local terms energy: -59.190798
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -8.763
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -187.353484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.353484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.393090 (E_RNA)
where:
Base-Base interactions energy: -108.258
where: short stacking energy: -59.318
Base-Backbone interact. energy: -0.002
local terms energy: -79.133014
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -18.633
Dist. restrs. and SS energy: 0.040 (S_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: 165
Temperature: 0.950000
Total energy: -186.472965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.472965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.738968 (E_RNA)
where:
Base-Base interactions energy: -112.857
where: short stacking energy: -65.658
Base-Backbone interact. energy: 0.333
local terms energy: -74.215421
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -12.998
tors. eta vs tors. theta energy: -16.307
Dist. restrs. and SS energy: 0.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -165.808509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.808509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.847625 (E_RNA)
where:
Base-Base interactions energy: -93.375
where: short stacking energy: -57.162
Base-Backbone interact. energy: -0.036
local terms energy: -72.437110
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -12.927
tors. eta vs tors. theta energy: -15.262
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -181.001393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.001393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.057328 (E_RNA)
where:
Base-Base interactions energy: -107.389
where: short stacking energy: -58.312
Base-Backbone interact. energy: -0.076
local terms energy: -73.592293
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -18.178
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. 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: -169.122450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.122450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.122450 (E_RNA)
where:
Base-Base interactions energy: -106.808
where: short stacking energy: -55.911
Base-Backbone interact. energy: -0.619
local terms energy: -61.694975
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -13.580
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: 3
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -168.422711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.422711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.248549 (E_RNA)
where:
Base-Base interactions energy: -99.625
where: short stacking energy: -59.109
Base-Backbone interact. energy: -0.066
local terms energy: -69.557764
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -16.588
Dist. restrs. and SS energy: 0.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -134.872372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.872372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.872372 (E_RNA)
where:
Base-Base interactions energy: -75.891
where: short stacking energy: -32.454
Base-Backbone interact. energy: 1.059
local terms energy: -60.040530
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -8.830
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: 8, replica: 2
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -134.081259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.081259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.081259 (E_RNA)
where:
Base-Base interactions energy: -68.982
where: short stacking energy: -38.390
Base-Backbone interact. energy: -0.066
local terms energy: -65.033749
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -13.962
tors. eta vs tors. theta energy: -6.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -123.580049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.580049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.685386 (E_RNA)
where:
Base-Base interactions energy: -73.711
where: short stacking energy: -43.004
Base-Backbone interact. energy: -0.263
local terms energy: -49.711691
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -15.192
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: 1.193
tors. eta vs tors. theta energy: -8.936
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -124.475117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.475117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.475117 (E_RNA)
where:
Base-Base interactions energy: -62.473
where: short stacking energy: -39.528
Base-Backbone interact. energy: -0.040
local terms energy: -61.961331
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -5.353
tors. eta vs tors. theta energy: -14.490
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -181.384457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.384457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.395005 (E_RNA)
where:
Base-Base interactions energy: -107.577
where: short stacking energy: -60.832
Base-Backbone interact. energy: -0.003
local terms energy: -73.815090
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -14.234
Dist. restrs. and SS energy: 0.011 (S_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: 166
Temperature: 0.950000
Total energy: -183.099837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.099837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.103887 (E_RNA)
where:
Base-Base interactions energy: -113.633
where: short stacking energy: -63.128
Base-Backbone interact. energy: -0.026
local terms energy: -69.445462
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -16.779
Dist. restrs. and SS energy: 0.004 (S_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: 166
Temperature: 1.000000
Total energy: -182.720846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.720846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.720846 (E_RNA)
where:
Base-Base interactions energy: -107.641
where: short stacking energy: -59.851
Base-Backbone interact. energy: 1.075
local terms energy: -76.154966
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -17.226
flat angles C4'-P-C4' energy: -18.129
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -14.236
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: 5
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -169.911309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.911309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.737474 (E_RNA)
where:
Base-Base interactions energy: -105.854
where: short stacking energy: -61.482
Base-Backbone interact. energy: 0.078
local terms energy: -64.961516
where:
bonds (distance) C4'-P energy: -10.599
bonds (distance) P-C4' energy: -11.996
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -13.953
Dist. restrs. and SS energy: 0.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -169.084357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.084357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.123526 (E_RNA)
where:
Base-Base interactions energy: -94.227
where: short stacking energy: -49.150
Base-Backbone interact. energy: -0.270
local terms energy: -74.626923
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -19.783
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -18.083
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -173.761729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.761729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.761729 (E_RNA)
where:
Base-Base interactions energy: -98.751
where: short stacking energy: -56.875
Base-Backbone interact. energy: -0.005
local terms energy: -75.006336
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -16.401
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: 166
Temperature: 1.200000
Total energy: -161.163782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.163782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.170310 (E_RNA)
where:
Base-Base interactions energy: -91.703
where: short stacking energy: -55.130
Base-Backbone interact. energy: -0.320
local terms energy: -69.147638
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -6.412
tors. eta vs tors. theta energy: -17.202
Dist. restrs. and SS energy: 0.007 (S_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: 166
Temperature: 1.250000
Total energy: -146.154637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.154637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.284335 (E_RNA)
where:
Base-Base interactions energy: -84.099
where: short stacking energy: -47.531
Base-Backbone interact. energy: -0.483
local terms energy: -61.701952
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -7.976
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -100.469769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.469769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.067093 (E_RNA)
where:
Base-Base interactions energy: -44.491
where: short stacking energy: -32.189
Base-Backbone interact. energy: -0.065
local terms energy: -56.511013
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -5.019
Dist. restrs. and SS energy: 0.597 (S_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: 166
Temperature: 1.350000
Total energy: -124.732986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.732986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.023129 (E_RNA)
where:
Base-Base interactions energy: -70.961
where: short stacking energy: -40.203
Base-Backbone interact. energy: -0.077
local terms energy: -53.984752
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -5.608
Dist. restrs. and SS energy: 0.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -203.212694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.212694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.212694 (E_RNA)
where:
Base-Base interactions energy: -123.162
where: short stacking energy: -81.392
Base-Backbone interact. energy: -0.006
local terms energy: -80.044783
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -22.000
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -183.539068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.539068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.588581 (E_RNA)
where:
Base-Base interactions energy: -104.705
where: short stacking energy: -61.892
Base-Backbone interact. energy: -0.066
local terms energy: -78.818256
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -17.853
Dist. restrs. and SS energy: 0.050 (S_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: 167
Temperature: 1.000000
Total energy: -187.329802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.329802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.502245 (E_RNA)
where:
Base-Base interactions energy: -110.068
where: short stacking energy: -65.507
Base-Backbone interact. energy: -0.144
local terms energy: -77.289662
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -13.116
tors. eta vs tors. theta energy: -16.694
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -177.630686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.630686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.411654 (E_RNA)
where:
Base-Base interactions energy: -108.373
where: short stacking energy: -50.614
Base-Backbone interact. energy: -0.326
local terms energy: -69.712989
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -17.754
flat angles P-C4'-P energy: -6.387
tors. eta vs tors. theta energy: -15.758
Dist. restrs. and SS energy: 0.781 (S_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: 167
Temperature: 1.100000
Total energy: -148.538943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.538943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.781591 (E_RNA)
where:
Base-Base interactions energy: -93.935
where: short stacking energy: -49.982
Base-Backbone interact. energy: -0.296
local terms energy: -54.550383
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -5.284
Dist. restrs. and SS energy: 0.243 (S_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: 167
Temperature: 1.150000
Total energy: -134.773323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.773323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.773323 (E_RNA)
where:
Base-Base interactions energy: -81.543
where: short stacking energy: -45.182
Base-Backbone interact. energy: -0.134
local terms energy: -53.095783
where:
bonds (distance) C4'-P energy: -6.587
bonds (distance) P-C4' energy: -16.162
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -8.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -152.327867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.327867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.599991 (E_RNA)
where:
Base-Base interactions energy: -89.137
where: short stacking energy: -38.769
Base-Backbone interact. energy: -0.926
local terms energy: -62.536550
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -6.712
Dist. restrs. and SS energy: 0.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -131.599202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.599202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.599202 (E_RNA)
where:
Base-Base interactions energy: -71.696
where: short stacking energy: -41.795
Base-Backbone interact. energy: -0.636
local terms energy: -59.266799
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -10.137
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -11.923
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -128.685038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.685038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.691804 (E_RNA)
where:
Base-Base interactions energy: -88.618
where: short stacking energy: -47.873
Base-Backbone interact. energy: -0.025
local terms energy: -40.049653
where:
bonds (distance) C4'-P energy: -4.107
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -10.299
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -5.826
Dist. restrs. and SS energy: 0.007 (S_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: 167
Temperature: 1.350000
Total energy: -119.829421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.829421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.829421 (E_RNA)
where:
Base-Base interactions energy: -66.320
where: short stacking energy: -24.855
Base-Backbone interact. energy: -0.313
local terms energy: -53.196703
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -4.333
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -191.801861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.801861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.058712 (E_RNA)
where:
Base-Base interactions energy: -113.401
where: short stacking energy: -66.614
Base-Backbone interact. energy: -1.335
local terms energy: -77.322417
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -12.745
tors. eta vs tors. theta energy: -16.111
Dist. restrs. and SS energy: 0.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -190.542118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.542118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.678062 (E_RNA)
where:
Base-Base interactions energy: -111.991
where: short stacking energy: -63.752
Base-Backbone interact. energy: -0.008
local terms energy: -78.678792
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -17.293
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -14.596
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -182.674558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.674558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.112060 (E_RNA)
where:
Base-Base interactions energy: -115.832
where: short stacking energy: -63.901
Base-Backbone interact. energy: -0.168
local terms energy: -67.111958
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -11.667
Dist. restrs. and SS energy: 0.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -173.051208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.051208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.112470 (E_RNA)
where:
Base-Base interactions energy: -106.398
where: short stacking energy: -50.017
Base-Backbone interact. energy: -0.256
local terms energy: -66.458868
where:
bonds (distance) C4'-P energy: -17.836
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -9.334
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -158.304023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.304023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.365856 (E_RNA)
where:
Base-Base interactions energy: -99.431
where: short stacking energy: -53.434
Base-Backbone interact. energy: 0.032
local terms energy: -58.966367
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -9.882
Dist. restrs. and SS energy: 0.062 (S_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: 168
Temperature: 1.150000
Total energy: -142.520345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.520345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.523985 (E_RNA)
where:
Base-Base interactions energy: -84.761
where: short stacking energy: -45.551
Base-Backbone interact. energy: -0.183
local terms energy: -57.580769
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -11.179
flat angles C4'-P-C4' energy: -11.594
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -9.291
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -150.863084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.863084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.784217 (E_RNA)
where:
Base-Base interactions energy: -92.584
where: short stacking energy: -38.320
Base-Backbone interact. energy: -0.877
local terms energy: -58.323131
where:
bonds (distance) C4'-P energy: -17.090
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -3.858
Dist. restrs. and SS energy: 0.921 (S_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: -136.885217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.885217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.885217 (E_RNA)
where:
Base-Base interactions energy: -80.269
where: short stacking energy: -47.440
Base-Backbone interact. energy: -0.035
local terms energy: -56.581749
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -10.803
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -134.609071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.609071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.609071 (E_RNA)
where:
Base-Base interactions energy: -80.525
where: short stacking energy: -33.161
Base-Backbone interact. energy: -0.048
local terms energy: -54.036330
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -9.464
flat angles P-C4'-P energy: -11.826
tors. eta vs tors. theta energy: -5.410
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -123.094992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.094992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.101625 (E_RNA)
where:
Base-Base interactions energy: -65.199
where: short stacking energy: -38.514
Base-Backbone interact. energy: -0.096
local terms energy: -57.806973
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -5.516
tors. eta vs tors. theta energy: -8.551
Dist. restrs. and SS energy: 0.007 (S_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: 169
Temperature: 0.900000
Total energy: -197.034596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.034596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.181109 (E_RNA)
where:
Base-Base interactions energy: -117.614
where: short stacking energy: -63.074
Base-Backbone interact. energy: -0.003
local terms energy: -79.564241
where:
bonds (distance) C4'-P energy: -16.780
bonds (distance) P-C4' energy: -16.676
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -19.999
Dist. restrs. and SS energy: 0.147 (S_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: 169
Temperature: 0.950000
Total energy: -192.296926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.296926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.296926 (E_RNA)
where:
Base-Base interactions energy: -112.539
where: short stacking energy: -71.872
Base-Backbone interact. energy: -0.046
local terms energy: -79.712675
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -17.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -175.247983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.247983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.437448 (E_RNA)
where:
Base-Base interactions energy: -103.827
where: short stacking energy: -63.283
Base-Backbone interact. energy: -0.035
local terms energy: -71.575700
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -14.252
Dist. restrs. and SS energy: 0.189 (S_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: 169
Temperature: 1.050000
Total energy: -155.551775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.551775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.553580 (E_RNA)
where:
Base-Base interactions energy: -88.353
where: short stacking energy: -44.741
Base-Backbone interact. energy: -0.211
local terms energy: -66.989926
where:
bonds (distance) C4'-P energy: -18.323
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -8.557
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. 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: -160.097609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.097609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.098434 (E_RNA)
where:
Base-Base interactions energy: -98.459
where: short stacking energy: -55.038
Base-Backbone interact. energy: -0.300
local terms energy: -61.339184
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -11.857
Dist. restrs. and SS energy: 0.001 (S_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: 169
Temperature: 1.150000
Total energy: -156.566907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.566907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.266841 (E_RNA)
where:
Base-Base interactions energy: -89.099
where: short stacking energy: -48.289
Base-Backbone interact. energy: 0.678
local terms energy: -68.846738
where:
bonds (distance) C4'-P energy: -17.004
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -10.026
Dist. restrs. and SS energy: 0.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -150.999175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.999175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.167527 (E_RNA)
where:
Base-Base interactions energy: -87.692
where: short stacking energy: -43.387
Base-Backbone interact. energy: -0.702
local terms energy: -62.774332
where:
bonds (distance) C4'-P energy: -15.753
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -10.978
Dist. restrs. and SS energy: 0.168 (S_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: 169
Temperature: 1.250000
Total energy: -150.242000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.242000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.844052 (E_RNA)
where:
Base-Base interactions energy: -87.489
where: short stacking energy: -43.298
Base-Backbone interact. energy: -0.006
local terms energy: -63.348938
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -3.884
tors. eta vs tors. theta energy: -13.998
Dist. restrs. and SS energy: 0.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -147.824887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.824887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.835758 (E_RNA)
where:
Base-Base interactions energy: -90.479
where: short stacking energy: -47.311
Base-Backbone interact. energy: -0.022
local terms energy: -57.335331
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -8.835
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -10.301
Dist. restrs. and SS energy: 0.011 (S_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: 169
Temperature: 1.350000
Total energy: -127.297511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.297511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.297511 (E_RNA)
where:
Base-Base interactions energy: -64.302
where: short stacking energy: -34.016
Base-Backbone interact. energy: 0.234
local terms energy: -63.228570
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -18.026
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -4.445
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -200.064066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.064066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.088676 (E_RNA)
where:
Base-Base interactions energy: -125.905
where: short stacking energy: -72.779
Base-Backbone interact. energy: 0.791
local terms energy: -74.974912
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -18.773
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -17.334
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -188.249896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.249896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.249896 (E_RNA)
where:
Base-Base interactions energy: -111.791
where: short stacking energy: -69.808
Base-Backbone interact. energy: -0.005
local terms energy: -76.454172
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -16.083
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -162.827767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.827767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.967823 (E_RNA)
where:
Base-Base interactions energy: -89.800
where: short stacking energy: -61.855
Base-Backbone interact. energy: -0.098
local terms energy: -73.069752
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -15.764
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -15.807
Dist. restrs. and SS energy: 0.140 (S_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: 170
Temperature: 1.050000
Total energy: -183.517469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.517469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.517469 (E_RNA)
where:
Base-Base interactions energy: -107.763
where: short stacking energy: -64.789
Base-Backbone interact. energy: 0.774
local terms energy: -76.528231
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -21.580
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: 5, replica: 5
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -160.670264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.670264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.704893 (E_RNA)
where:
Base-Base interactions energy: -93.156
where: short stacking energy: -51.788
Base-Backbone interact. energy: -0.141
local terms energy: -67.408198
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -12.095
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -153.789105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.789105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.789105 (E_RNA)
where:
Base-Base interactions energy: -88.201
where: short stacking energy: -51.156
Base-Backbone interact. energy: 1.148
local terms energy: -66.736185
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -10.092
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: 170
Temperature: 1.200000
Total energy: -163.051846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.051846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.051846 (E_RNA)
where:
Base-Base interactions energy: -94.300
where: short stacking energy: -59.237
Base-Backbone interact. energy: -0.100
local terms energy: -68.651950
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -8.119
flat angles P-C4'-P energy: -13.544
tors. eta vs tors. theta energy: -14.648
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -131.436040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.436040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.436040 (E_RNA)
where:
Base-Base interactions energy: -74.537
where: short stacking energy: -43.257
Base-Backbone interact. energy: -0.767
local terms energy: -56.131987
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -4.943
tors. eta vs tors. theta energy: -10.143
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: 170
Temperature: 1.300000
Total energy: -124.201332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.201332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.366509 (E_RNA)
where:
Base-Base interactions energy: -66.682
where: short stacking energy: -33.577
Base-Backbone interact. energy: -0.708
local terms energy: -56.976974
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -13.330
flat angles C4'-P-C4' energy: -11.415
flat angles P-C4'-P energy: -6.871
tors. eta vs tors. theta energy: -11.550
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -136.340860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.340860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.358755 (E_RNA)
where:
Base-Base interactions energy: -73.051
where: short stacking energy: -43.521
Base-Backbone interact. energy: 0.121
local terms energy: -63.428781
where:
bonds (distance) C4'-P energy: -8.848
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -12.312
Dist. restrs. and SS energy: 0.018 (S_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: -193.183585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.183585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.923156 (E_RNA)
where:
Base-Base interactions energy: -113.794
where: short stacking energy: -62.458
Base-Backbone interact. energy: -0.034
local terms energy: -80.094834
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -14.648
tors. eta vs tors. theta energy: -17.827
Dist. restrs. and SS energy: 0.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -153.224220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.224220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.241799 (E_RNA)
where:
Base-Base interactions energy: -85.638
where: short stacking energy: -55.252
Base-Backbone interact. energy: 0.064
local terms energy: -67.667637
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -10.571
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -183.098298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.098298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.117665 (E_RNA)
where:
Base-Base interactions energy: -119.234
where: short stacking energy: -64.053
Base-Backbone interact. energy: -0.110
local terms energy: -63.773498
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -9.972
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -6.596
tors. eta vs tors. theta energy: -17.051
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -173.010362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.010362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.010362 (E_RNA)
where:
Base-Base interactions energy: -110.062
where: short stacking energy: -65.666
Base-Backbone interact. energy: -0.096
local terms energy: -62.851807
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -147.006571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.006571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.025490 (E_RNA)
where:
Base-Base interactions energy: -82.588
where: short stacking energy: -50.076
Base-Backbone interact. energy: -0.280
local terms energy: -64.157680
where:
bonds (distance) C4'-P energy: -16.734
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -8.853
Dist. restrs. and SS energy: 0.019 (S_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: 171
Temperature: 1.150000
Total energy: -161.402164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.402164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.402164 (E_RNA)
where:
Base-Base interactions energy: -98.951
where: short stacking energy: -51.462
Base-Backbone interact. energy: -1.008
local terms energy: -61.443845
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -8.163
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -147.931737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.931737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.931737 (E_RNA)
where:
Base-Base interactions energy: -81.966
where: short stacking energy: -48.197
Base-Backbone interact. energy: -0.111
local terms energy: -65.853893
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -11.379
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -136.730853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.730853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.772156 (E_RNA)
where:
Base-Base interactions energy: -77.782
where: short stacking energy: -42.291
Base-Backbone interact. energy: -0.154
local terms energy: -58.836355
where:
bonds (distance) C4'-P energy: -10.768
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -11.775
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -9.154
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -131.621875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.621875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.621875 (E_RNA)
where:
Base-Base interactions energy: -77.208
where: short stacking energy: -39.499
Base-Backbone interact. energy: 0.100
local terms energy: -54.513466
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -3.906
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -121.383564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.383564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.455877 (E_RNA)
where:
Base-Base interactions energy: -67.433
where: short stacking energy: -37.245
Base-Backbone interact. energy: -0.098
local terms energy: -53.925787
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -4.604
tors. eta vs tors. theta energy: -2.428
Dist. restrs. and SS energy: 0.072 (S_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: -195.267058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.267058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.267058 (E_RNA)
where:
Base-Base interactions energy: -117.592
where: short stacking energy: -76.571
Base-Backbone interact. energy: -0.001
local terms energy: -77.673468
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -16.806
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -21.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -180.827809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.827809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.827809 (E_RNA)
where:
Base-Base interactions energy: -104.885
where: short stacking energy: -64.054
Base-Backbone interact. energy: -0.033
local terms energy: -75.909938
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -15.020
tors. eta vs tors. theta energy: -17.267
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: 3, replica: 4
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -179.876371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.876371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.017440 (E_RNA)
where:
Base-Base interactions energy: -109.736
where: short stacking energy: -59.591
Base-Backbone interact. energy: -0.007
local terms energy: -70.274097
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -6.541
tors. eta vs tors. theta energy: -14.139
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. 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: -182.615608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.615608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.794137 (E_RNA)
where:
Base-Base interactions energy: -111.348
where: short stacking energy: -62.961
Base-Backbone interact. energy: -0.050
local terms energy: -71.396044
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -3.863
tors. eta vs tors. theta energy: -19.858
Dist. restrs. and SS energy: 0.179 (S_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: 172
Temperature: 1.100000
Total energy: -138.755947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.755947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.780068 (E_RNA)
where:
Base-Base interactions energy: -77.714
where: short stacking energy: -45.099
Base-Backbone interact. energy: -0.170
local terms energy: -60.896372
where:
bonds (distance) C4'-P energy: -10.726
bonds (distance) P-C4' energy: -19.331
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -6.848
Dist. restrs. and SS energy: 0.024 (S_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: 172
Temperature: 1.150000
Total energy: -158.672988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.672988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.672988 (E_RNA)
where:
Base-Base interactions energy: -86.510
where: short stacking energy: -44.964
Base-Backbone interact. energy: -0.013
local terms energy: -72.149689
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -12.667
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: 8
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -135.511767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.511767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.678817 (E_RNA)
where:
Base-Base interactions energy: -76.637
where: short stacking energy: -43.293
Base-Backbone interact. energy: -0.641
local terms energy: -58.400581
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -11.527
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -6.412
Dist. restrs. and SS energy: 0.167 (S_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: 172
Temperature: 1.250000
Total energy: -136.624781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.624781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.649758 (E_RNA)
where:
Base-Base interactions energy: -80.158
where: short stacking energy: -45.205
Base-Backbone interact. energy: -0.152
local terms energy: -56.339964
where:
bonds (distance) C4'-P energy: -12.933
bonds (distance) P-C4' energy: -11.963
flat angles C4'-P-C4' energy: -9.139
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -10.526
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -131.158769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.158769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.187697 (E_RNA)
where:
Base-Base interactions energy: -75.416
where: short stacking energy: -42.562
Base-Backbone interact. energy: -0.645
local terms energy: -55.126219
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -4.773
tors. eta vs tors. theta energy: -7.431
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -113.146065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.146065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.168641 (E_RNA)
where:
Base-Base interactions energy: -69.616
where: short stacking energy: -42.857
Base-Backbone interact. energy: 0.939
local terms energy: -44.491388
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -9.378
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -2.098
Dist. restrs. and SS energy: 0.023 (S_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: -185.831675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.831675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.831675 (E_RNA)
where:
Base-Base interactions energy: -108.881
where: short stacking energy: -67.411
Base-Backbone interact. energy: 0.541
local terms energy: -77.491813
where:
bonds (distance) C4'-P energy: -16.505
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -17.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -194.168676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.168676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.348031 (E_RNA)
where:
Base-Base interactions energy: -119.428
where: short stacking energy: -64.447
Base-Backbone interact. energy: -0.079
local terms energy: -74.841006
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -18.584
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -16.185
Dist. restrs. and SS energy: 0.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -192.074503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.074503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.334511 (E_RNA)
where:
Base-Base interactions energy: -112.140
where: short stacking energy: -72.301
Base-Backbone interact. energy: -0.040
local terms energy: -80.154851
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -17.815
Dist. restrs. and SS energy: 0.260 (S_DIST_RNA)
chem. 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: -178.092061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.092061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.098734 (E_RNA)
where:
Base-Base interactions energy: -104.007
where: short stacking energy: -61.436
Base-Backbone interact. energy: -0.085
local terms energy: -74.006808
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -11.963
flat angles C4'-P-C4' energy: -18.303
flat angles P-C4'-P energy: -13.638
tors. eta vs tors. theta energy: -13.856
Dist. restrs. and SS energy: 0.007 (S_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: 173
Temperature: 1.100000
Total energy: -151.509902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.509902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.509902 (E_RNA)
where:
Base-Base interactions energy: -82.729
where: short stacking energy: -47.040
Base-Backbone interact. energy: -0.471
local terms energy: -68.309930
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -17.970
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -7.541
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -158.201536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.201536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.362469 (E_RNA)
where:
Base-Base interactions energy: -89.591
where: short stacking energy: -49.862
Base-Backbone interact. energy: -1.156
local terms energy: -67.615563
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -12.498
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. 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: -128.590182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.590182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.600332 (E_RNA)
where:
Base-Base interactions energy: -71.208
where: short stacking energy: -39.645
Base-Backbone interact. energy: -0.691
local terms energy: -56.701649
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -11.834
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -5.789
Dist. restrs. and SS energy: 0.010 (S_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: -140.414376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.414376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.448029 (E_RNA)
where:
Base-Base interactions energy: -90.572
where: short stacking energy: -47.737
Base-Backbone interact. energy: -0.279
local terms energy: -49.597280
where:
bonds (distance) C4'-P energy: -5.239
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -6.960
tors. eta vs tors. theta energy: -12.496
Dist. restrs. and SS energy: 0.034 (S_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: 173
Temperature: 1.300000
Total energy: -151.618711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.618711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.268488 (E_RNA)
where:
Base-Base interactions energy: -91.796
where: short stacking energy: -51.682
Base-Backbone interact. energy: -0.021
local terms energy: -60.451189
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -9.865
flat angles P-C4'-P energy: -7.650
tors. eta vs tors. theta energy: -13.353
Dist. restrs. and SS energy: 0.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -121.606578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.606578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.969785 (E_RNA)
where:
Base-Base interactions energy: -64.977
where: short stacking energy: -32.895
Base-Backbone interact. energy: -0.203
local terms energy: -56.790632
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -1.086
Dist. restrs. and SS energy: 0.363 (S_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: -189.611723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.611723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.611723 (E_RNA)
where:
Base-Base interactions energy: -112.218
where: short stacking energy: -68.531
Base-Backbone interact. energy: -0.006
local terms energy: -77.387608
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -17.275
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -18.604
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: 2
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -193.716384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.716384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.213178 (E_RNA)
where:
Base-Base interactions energy: -120.015
where: short stacking energy: -71.525
Base-Backbone interact. energy: -0.011
local terms energy: -74.187282
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -16.444
Dist. restrs. and SS energy: 0.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -173.052797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.052797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.426668 (E_RNA)
where:
Base-Base interactions energy: -105.538
where: short stacking energy: -56.831
Base-Backbone interact. energy: -0.159
local terms energy: -67.729959
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -18.292
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -12.646
Dist. restrs. and SS energy: 0.374 (S_DIST_RNA)
chem. 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: -194.769762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.769762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.016878 (E_RNA)
where:
Base-Base interactions energy: -120.672
where: short stacking energy: -66.175
Base-Backbone interact. energy: -0.555
local terms energy: -73.790174
where:
bonds (distance) C4'-P energy: -10.035
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -19.031
Dist. restrs. and SS energy: 0.247 (S_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: 174
Temperature: 1.100000
Total energy: -167.851141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.851141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.851141 (E_RNA)
where:
Base-Base interactions energy: -98.214
where: short stacking energy: -55.741
Base-Backbone interact. energy: -0.117
local terms energy: -69.519718
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -18.975
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -14.192
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -157.257989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.257989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.683760 (E_RNA)
where:
Base-Base interactions energy: -89.711
where: short stacking energy: -56.801
Base-Backbone interact. energy: -0.035
local terms energy: -68.938068
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -15.963
Dist. restrs. and SS energy: 1.426 (S_DIST_RNA)
chem. 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: -147.224319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.224319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.270858 (E_RNA)
where:
Base-Base interactions energy: -80.718
where: short stacking energy: -52.493
Base-Backbone interact. energy: -0.029
local terms energy: -66.524014
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -14.196
Dist. restrs. and SS energy: 0.047 (S_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: -129.619902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.619902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.643958 (E_RNA)
where:
Base-Base interactions energy: -74.808
where: short stacking energy: -34.687
Base-Backbone interact. energy: -0.141
local terms energy: -54.695202
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -1.477
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -133.428540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.428540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.429241 (E_RNA)
where:
Base-Base interactions energy: -73.838
where: short stacking energy: -44.189
Base-Backbone interact. energy: -0.012
local terms energy: -59.579035
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -9.464
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -12.075
Dist. restrs. and SS energy: 0.001 (S_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: 174
Temperature: 1.350000
Total energy: -142.463915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.463915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.507465 (E_RNA)
where:
Base-Base interactions energy: -81.768
where: short stacking energy: -41.529
Base-Backbone interact. energy: -0.141
local terms energy: -60.598623
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -11.385
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -11.257
Dist. restrs. and SS energy: 0.044 (S_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: -187.761282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.761282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.052620 (E_RNA)
where:
Base-Base interactions energy: -113.338
where: short stacking energy: -60.182
Base-Backbone interact. energy: -0.039
local terms energy: -74.675968
where:
bonds (distance) C4'-P energy: -17.840
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -11.009
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -17.807
Dist. restrs. and SS energy: 0.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -181.508859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.508859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.047590 (E_RNA)
where:
Base-Base interactions energy: -108.078
where: short stacking energy: -65.399
Base-Backbone interact. energy: -0.094
local terms energy: -73.875485
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -13.178
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -16.339
Dist. restrs. and SS energy: 0.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -179.565365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.565365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.639494 (E_RNA)
where:
Base-Base interactions energy: -104.096
where: short stacking energy: -52.757
Base-Backbone interact. energy: -0.006
local terms energy: -75.537196
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -15.369
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -12.390
tors. eta vs tors. theta energy: -17.796
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. 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: -176.690812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.690812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.694556 (E_RNA)
where:
Base-Base interactions energy: -105.976
where: short stacking energy: -60.668
Base-Backbone interact. energy: -0.164
local terms energy: -70.554781
where:
bonds (distance) C4'-P energy: -10.181
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -16.993
Dist. restrs. and SS energy: 0.004 (S_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: 175
Temperature: 1.100000
Total energy: -158.020647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.020647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.082814 (E_RNA)
where:
Base-Base interactions energy: -84.703
where: short stacking energy: -45.200
Base-Backbone interact. energy: -0.110
local terms energy: -73.270030
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -14.459
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -159.458556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.458556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.712007 (E_RNA)
where:
Base-Base interactions energy: -93.320
where: short stacking energy: -47.096
Base-Backbone interact. energy: -0.007
local terms energy: -66.385076
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -13.906
Dist. restrs. and SS energy: 0.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -146.681661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.681661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.681661 (E_RNA)
where:
Base-Base interactions energy: -83.731
where: short stacking energy: -46.617
Base-Backbone interact. energy: -0.048
local terms energy: -62.902408
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -10.781
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -12.272
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: 6
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -124.500735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.500735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.500735 (E_RNA)
where:
Base-Base interactions energy: -70.832
where: short stacking energy: -42.082
Base-Backbone interact. energy: -0.010
local terms energy: -53.659090
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -11.341
flat angles C4'-P-C4' energy: -9.951
flat angles P-C4'-P energy: -13.411
tors. eta vs tors. theta energy: -6.325
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -118.795420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.795420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.795420 (E_RNA)
where:
Base-Base interactions energy: -63.068
where: short stacking energy: -35.246
Base-Backbone interact. energy: -0.073
local terms energy: -55.654404
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -4.622
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: 10
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -127.003991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.003991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.203107 (E_RNA)
where:
Base-Base interactions energy: -67.954
where: short stacking energy: -41.278
Base-Backbone interact. energy: 0.756
local terms energy: -60.005083
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -9.510
Dist. restrs. and SS energy: 0.199 (S_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: 176
Temperature: 0.900000
Total energy: -182.249510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.249510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.556986 (E_RNA)
where:
Base-Base interactions energy: -114.160
where: short stacking energy: -60.098
Base-Backbone interact. energy: -0.062
local terms energy: -68.334861
where:
bonds (distance) C4'-P energy: -7.913
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -19.451
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -12.162
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -185.417891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.417891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.689781 (E_RNA)
where:
Base-Base interactions energy: -107.306
where: short stacking energy: -63.645
Base-Backbone interact. energy: -0.152
local terms energy: -78.231818
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -17.868
Dist. restrs. and SS energy: 0.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -184.201617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.201617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.215098 (E_RNA)
where:
Base-Base interactions energy: -115.292
where: short stacking energy: -63.572
Base-Backbone interact. energy: -0.075
local terms energy: -68.847959
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -15.658
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. 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: -166.306475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.306475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.313455 (E_RNA)
where:
Base-Base interactions energy: -99.769
where: short stacking energy: -47.152
Base-Backbone interact. energy: 0.974
local terms energy: -67.518552
where:
bonds (distance) C4'-P energy: -17.298
bonds (distance) P-C4' energy: -18.341
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -7.411
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -160.863251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.863251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.926926 (E_RNA)
where:
Base-Base interactions energy: -100.680
where: short stacking energy: -46.143
Base-Backbone interact. energy: -0.043
local terms energy: -60.204029
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -10.298
Dist. restrs. and SS energy: 0.064 (S_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: 176
Temperature: 1.150000
Total energy: -157.200366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.200366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.347308 (E_RNA)
where:
Base-Base interactions energy: -91.875
where: short stacking energy: -53.962
Base-Backbone interact. energy: -0.459
local terms energy: -65.013050
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -12.664
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -6.532
tors. eta vs tors. theta energy: -14.529
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -143.784147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.784147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.822599 (E_RNA)
where:
Base-Base interactions energy: -86.787
where: short stacking energy: -39.852
Base-Backbone interact. energy: -0.480
local terms energy: -56.556117
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -4.552
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -141.069248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.069248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.292238 (E_RNA)
where:
Base-Base interactions energy: -89.005
where: short stacking energy: -48.491
Base-Backbone interact. energy: -0.206
local terms energy: -52.082023
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -7.003
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -2.036
tors. eta vs tors. theta energy: -12.839
Dist. restrs. and SS energy: 0.223 (S_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: 176
Temperature: 1.300000
Total energy: -132.341216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.341216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.359039 (E_RNA)
where:
Base-Base interactions energy: -75.229
where: short stacking energy: -41.956
Base-Backbone interact. energy: -0.564
local terms energy: -56.565203
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -5.114
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -119.132244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.132244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.328165 (E_RNA)
where:
Base-Base interactions energy: -67.831
where: short stacking energy: -36.927
Base-Backbone interact. energy: -0.001
local terms energy: -51.496060
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -8.095
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -5.448
Dist. restrs. and SS energy: 0.196 (S_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: -189.579090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.579090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.734957 (E_RNA)
where:
Base-Base interactions energy: -123.931
where: short stacking energy: -59.014
Base-Backbone interact. energy: -0.176
local terms energy: -65.628379
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -14.577
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -17.491
Dist. restrs. and SS energy: 0.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -183.863021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.863021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.883053 (E_RNA)
where:
Base-Base interactions energy: -108.334
where: short stacking energy: -67.668
Base-Backbone interact. energy: -0.187
local terms energy: -75.362243
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -20.135
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -185.359442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.359442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.407198 (E_RNA)
where:
Base-Base interactions energy: -110.513
where: short stacking energy: -64.523
Base-Backbone interact. energy: 0.253
local terms energy: -75.147123
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -20.217
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -152.550692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.550692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.566094 (E_RNA)
where:
Base-Base interactions energy: -91.581
where: short stacking energy: -51.915
Base-Backbone interact. energy: -0.067
local terms energy: -60.918386
where:
bonds (distance) C4'-P energy: -14.246
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -12.868
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -169.997158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.997158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.997158 (E_RNA)
where:
Base-Base interactions energy: -97.421
where: short stacking energy: -59.777
Base-Backbone interact. energy: -0.005
local terms energy: -72.571250
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -15.491
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: 7
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -172.051328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.051328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.054926 (E_RNA)
where:
Base-Base interactions energy: -93.999
where: short stacking energy: -57.831
Base-Backbone interact. energy: -0.001
local terms energy: -78.055642
where:
bonds (distance) C4'-P energy: -17.615
bonds (distance) P-C4' energy: -16.521
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -16.465
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -156.027983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.027983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.063129 (E_RNA)
where:
Base-Base interactions energy: -96.987
where: short stacking energy: -53.149
Base-Backbone interact. energy: -0.027
local terms energy: -59.049284
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -17.836
flat angles C4'-P-C4' energy: -11.543
flat angles P-C4'-P energy: -6.294
tors. eta vs tors. theta energy: -9.003
Dist. restrs. and SS energy: 0.035 (S_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: 177
Temperature: 1.250000
Total energy: -145.910987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.910987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.965366 (E_RNA)
where:
Base-Base interactions energy: -79.382
where: short stacking energy: -37.807
Base-Backbone interact. energy: -0.786
local terms energy: -65.797481
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -12.049
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -10.290
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -132.913702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.913702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.004958 (E_RNA)
where:
Base-Base interactions energy: -77.000
where: short stacking energy: -44.548
Base-Backbone interact. energy: -0.911
local terms energy: -55.093337
where:
bonds (distance) C4'-P energy: -12.043
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -3.761
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -127.032532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.032532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.032532 (E_RNA)
where:
Base-Base interactions energy: -79.873
where: short stacking energy: -37.749
Base-Backbone interact. energy: -0.055
local terms energy: -47.104816
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -9.333
flat angles C4'-P-C4' energy: -10.160
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -3.871
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: 3
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -190.242683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.242683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.242683 (E_RNA)
where:
Base-Base interactions energy: -107.825
where: short stacking energy: -69.366
Base-Backbone interact. energy: -0.078
local terms energy: -82.339833
where:
bonds (distance) C4'-P energy: -18.220
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -18.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -189.126265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.126265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.144514 (E_RNA)
where:
Base-Base interactions energy: -111.355
where: short stacking energy: -63.780
Base-Backbone interact. energy: -0.019
local terms energy: -77.770173
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -17.561
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -188.186182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.186182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.249280 (E_RNA)
where:
Base-Base interactions energy: -109.599
where: short stacking energy: -65.109
Base-Backbone interact. energy: -0.018
local terms energy: -78.631904
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -18.557
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -156.012465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.012465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.070381 (E_RNA)
where:
Base-Base interactions energy: -83.945
where: short stacking energy: -47.760
Base-Backbone interact. energy: -0.763
local terms energy: -71.362984
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -18.957
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -11.104
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -173.464874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.464874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.468887 (E_RNA)
where:
Base-Base interactions energy: -98.849
where: short stacking energy: -56.896
Base-Backbone interact. energy: -0.033
local terms energy: -74.587283
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -20.295
Dist. restrs. and SS energy: 0.004 (S_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: 178
Temperature: 1.150000
Total energy: -154.250237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.250237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.394319 (E_RNA)
where:
Base-Base interactions energy: -94.849
where: short stacking energy: -67.236
Base-Backbone interact. energy: -0.002
local terms energy: -59.544240
where:
bonds (distance) C4'-P energy: -11.401
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -3.702
tors. eta vs tors. theta energy: -16.938
Dist. restrs. and SS energy: 0.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -143.204513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.204513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.204513 (E_RNA)
where:
Base-Base interactions energy: -81.174
where: short stacking energy: -38.900
Base-Backbone interact. energy: -0.096
local terms energy: -61.934619
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -19.563
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -5.585
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -138.418624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.418624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.736954 (E_RNA)
where:
Base-Base interactions energy: -77.198
where: short stacking energy: -39.617
Base-Backbone interact. energy: -0.058
local terms energy: -61.480430
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -10.272
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -12.025
Dist. restrs. and SS energy: 0.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -131.716609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.716609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.716609 (E_RNA)
where:
Base-Base interactions energy: -73.385
where: short stacking energy: -41.822
Base-Backbone interact. energy: -0.278
local terms energy: -58.053386
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -10.351
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -6.843
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -129.807621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.807621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.827281 (E_RNA)
where:
Base-Base interactions energy: -67.441
where: short stacking energy: -42.809
Base-Backbone interact. energy: -0.067
local terms energy: -62.318915
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -18.484
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -10.886
Dist. restrs. and SS energy: 0.020 (S_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: -203.721320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.721320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.764787 (E_RNA)
where:
Base-Base interactions energy: -126.166
where: short stacking energy: -69.690
Base-Backbone interact. energy: -0.010
local terms energy: -77.588787
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -19.439
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -189.327973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.327973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.327973 (E_RNA)
where:
Base-Base interactions energy: -113.410
where: short stacking energy: -66.304
Base-Backbone interact. energy: -0.065
local terms energy: -75.852835
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -17.958
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -187.289048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.289048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.811266 (E_RNA)
where:
Base-Base interactions energy: -106.143
where: short stacking energy: -71.452
Base-Backbone interact. energy: -0.042
local terms energy: -81.626451
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -17.866
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -21.910
Dist. restrs. and SS energy: 0.522 (S_DIST_RNA)
chem. 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: -181.211089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.211089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.216414 (E_RNA)
where:
Base-Base interactions energy: -106.928
where: short stacking energy: -62.257
Base-Backbone interact. energy: -0.199
local terms energy: -74.089487
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -18.114
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -145.676372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.676372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.722076 (E_RNA)
where:
Base-Base interactions energy: -83.726
where: short stacking energy: -58.568
Base-Backbone interact. energy: -0.004
local terms energy: -61.992288
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -5.160
tors. eta vs tors. theta energy: -11.393
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. 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: -146.150446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.150446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.194780 (E_RNA)
where:
Base-Base interactions energy: -84.145
where: short stacking energy: -51.268
Base-Backbone interact. energy: -0.112
local terms energy: -61.937778
where:
bonds (distance) C4'-P energy: -11.703
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -12.682
Dist. restrs. and SS energy: 0.044 (S_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: 179
Temperature: 1.200000
Total energy: -121.031061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.031061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.031061 (E_RNA)
where:
Base-Base interactions energy: -66.384
where: short stacking energy: -36.842
Base-Backbone interact. energy: -0.278
local terms energy: -54.369434
where:
bonds (distance) C4'-P energy: -18.200
bonds (distance) P-C4' energy: -12.622
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -4.025
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -127.208241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.208241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.208241 (E_RNA)
where:
Base-Base interactions energy: -63.619
where: short stacking energy: -34.257
Base-Backbone interact. energy: -0.237
local terms energy: -63.352409
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -6.983
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -132.251662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.251662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.357926 (E_RNA)
where:
Base-Base interactions energy: -74.677
where: short stacking energy: -36.723
Base-Backbone interact. energy: -0.101
local terms energy: -57.580574
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: -8.451
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -109.802465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.802465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.872218 (E_RNA)
where:
Base-Base interactions energy: -63.910
where: short stacking energy: -34.382
Base-Backbone interact. energy: -0.255
local terms energy: -45.707248
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -5.930
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -5.779
Dist. restrs. and SS energy: 0.070 (S_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: -194.621280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.621280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.099029 (E_RNA)
where:
Base-Base interactions energy: -120.029
where: short stacking energy: -70.980
Base-Backbone interact. energy: -0.019
local terms energy: -75.051011
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -19.612
Dist. restrs. and SS energy: 0.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -186.527141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.527141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.748136 (E_RNA)
where:
Base-Base interactions energy: -111.471
where: short stacking energy: -63.637
Base-Backbone interact. energy: -0.001
local terms energy: -75.275839
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -14.739
tors. eta vs tors. theta energy: -17.841
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -196.243804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.243804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.384089 (E_RNA)
where:
Base-Base interactions energy: -125.855
where: short stacking energy: -70.494
Base-Backbone interact. energy: -0.046
local terms energy: -70.482381
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -10.936
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -20.618
Dist. restrs. and SS energy: 0.140 (S_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: 180
Temperature: 1.050000
Total energy: -189.349336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.349336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.349336 (E_RNA)
where:
Base-Base interactions energy: -108.300
where: short stacking energy: -64.930
Base-Backbone interact. energy: -0.017
local terms energy: -81.032528
where:
bonds (distance) C4'-P energy: -17.819
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -17.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -148.338092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.338092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.488565 (E_RNA)
where:
Base-Base interactions energy: -85.550
where: short stacking energy: -42.563
Base-Backbone interact. energy: 1.637
local terms energy: -64.576106
where:
bonds (distance) C4'-P energy: -14.499
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -4.124
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. 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: -178.093072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.093072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.171223 (E_RNA)
where:
Base-Base interactions energy: -110.199
where: short stacking energy: -58.345
Base-Backbone interact. energy: -0.108
local terms energy: -67.863971
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -16.154
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. 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: -132.195239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.195239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.522790 (E_RNA)
where:
Base-Base interactions energy: -81.855
where: short stacking energy: -35.130
Base-Backbone interact. energy: 0.313
local terms energy: -50.981659
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -10.034
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -2.407
Dist. restrs. and SS energy: 0.328 (S_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: 180
Temperature: 1.250000
Total energy: -119.411939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.411939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.511020 (E_RNA)
where:
Base-Base interactions energy: -66.479
where: short stacking energy: -36.426
Base-Backbone interact. energy: -0.579
local terms energy: -52.453161
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -0.027
Dist. restrs. and SS energy: 0.099 (S_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: 180
Temperature: 1.300000
Total energy: -128.538897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.538897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.538897 (E_RNA)
where:
Base-Base interactions energy: -75.326
where: short stacking energy: -38.536
Base-Backbone interact. energy: -0.215
local terms energy: -52.997831
where:
bonds (distance) C4'-P energy: -11.543
bonds (distance) P-C4' energy: -9.222
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -6.439
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: 5
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -124.102598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.102598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.102598 (E_RNA)
where:
Base-Base interactions energy: -73.688
where: short stacking energy: -42.952
Base-Backbone interact. energy: -0.114
local terms energy: -50.301206
where:
bonds (distance) C4'-P energy: -10.242
bonds (distance) P-C4' energy: -13.340
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -4.988
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -202.398250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.398250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.691296 (E_RNA)
where:
Base-Base interactions energy: -120.359
where: short stacking energy: -75.648
Base-Backbone interact. energy: -0.495
local terms energy: -81.837340
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -19.905
Dist. restrs. and SS energy: 0.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -188.074400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.074400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.636820 (E_RNA)
where:
Base-Base interactions energy: -106.392
where: short stacking energy: -63.554
Base-Backbone interact. energy: 0.339
local terms energy: -82.583760
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -20.871
Dist. restrs. and SS energy: 0.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -168.937624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.937624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.943446 (E_RNA)
where:
Base-Base interactions energy: -99.529
where: short stacking energy: -64.594
Base-Backbone interact. energy: -0.069
local terms energy: -69.345535
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -13.991
Dist. restrs. and SS energy: 0.006 (S_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: 181
Temperature: 1.050000
Total energy: -178.667393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.667393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.667393 (E_RNA)
where:
Base-Base interactions energy: -102.493
where: short stacking energy: -51.253
Base-Backbone interact. energy: -0.153
local terms energy: -76.021794
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -18.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -160.140193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.140193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.189853 (E_RNA)
where:
Base-Base interactions energy: -91.935
where: short stacking energy: -51.806
Base-Backbone interact. energy: 0.130
local terms energy: -68.385149
where:
bonds (distance) C4'-P energy: -16.237
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -10.868
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -165.528603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.528603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.585128 (E_RNA)
where:
Base-Base interactions energy: -96.947
where: short stacking energy: -56.968
Base-Backbone interact. energy: -0.040
local terms energy: -68.597954
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -13.691
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -164.551374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.551374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.812084 (E_RNA)
where:
Base-Base interactions energy: -99.165
where: short stacking energy: -53.603
Base-Backbone interact. energy: -0.179
local terms energy: -65.468520
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: -14.078
Dist. restrs. and SS energy: 0.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -130.266411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.266411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.319688 (E_RNA)
where:
Base-Base interactions energy: -64.199
where: short stacking energy: -36.253
Base-Backbone interact. energy: -0.605
local terms energy: -65.515721
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -10.325
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -133.188097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.188097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.333106 (E_RNA)
where:
Base-Base interactions energy: -75.765
where: short stacking energy: -44.933
Base-Backbone interact. energy: -0.057
local terms energy: -57.510893
where:
bonds (distance) C4'-P energy: -14.229
bonds (distance) P-C4' energy: -18.659
flat angles C4'-P-C4' energy: -12.059
flat angles P-C4'-P energy: -5.535
tors. eta vs tors. theta energy: -7.030
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -130.732736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.732736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.010321 (E_RNA)
where:
Base-Base interactions energy: -73.587
where: short stacking energy: -29.695
Base-Backbone interact. energy: -0.051
local terms energy: -57.372205
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -10.759
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -3.536
Dist. restrs. and SS energy: 0.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -177.050305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.050305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.051443 (E_RNA)
where:
Base-Base interactions energy: -107.447
where: short stacking energy: -56.482
Base-Backbone interact. energy: -0.016
local terms energy: -69.588491
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -12.529
Dist. restrs. and SS energy: 0.001 (S_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: 182
Temperature: 0.950000
Total energy: -178.339368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.339368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.407199 (E_RNA)
where:
Base-Base interactions energy: -110.436
where: short stacking energy: -61.847
Base-Backbone interact. energy: -0.016
local terms energy: -67.955302
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -16.727
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -174.361828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.361828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.363087 (E_RNA)
where:
Base-Base interactions energy: -101.063
where: short stacking energy: -61.250
Base-Backbone interact. energy: -0.101
local terms energy: -73.199377
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -12.719
Dist. restrs. and SS energy: 0.001 (S_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: 182
Temperature: 1.050000
Total energy: -178.449950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.449950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.531666 (E_RNA)
where:
Base-Base interactions energy: -107.215
where: short stacking energy: -57.059
Base-Backbone interact. energy: -0.077
local terms energy: -71.239621
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -16.727
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -159.113607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.113607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.717401 (E_RNA)
where:
Base-Base interactions energy: -97.025
where: short stacking energy: -46.886
Base-Backbone interact. energy: -0.105
local terms energy: -62.587926
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -10.738
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -12.518
Dist. restrs. and SS energy: 0.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -157.980701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.980701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.989367 (E_RNA)
where:
Base-Base interactions energy: -92.063
where: short stacking energy: -55.292
Base-Backbone interact. energy: -0.799
local terms energy: -65.127201
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -17.433
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -11.289
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -135.349592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.349592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.354479 (E_RNA)
where:
Base-Base interactions energy: -77.807
where: short stacking energy: -45.972
Base-Backbone interact. energy: -0.407
local terms energy: -57.140279
where:
bonds (distance) C4'-P energy: -7.188
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -10.090
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -13.322
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -142.380870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.380870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.537063 (E_RNA)
where:
Base-Base interactions energy: -81.558
where: short stacking energy: -40.398
Base-Backbone interact. energy: -0.242
local terms energy: -60.736960
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -11.875
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -14.194
Dist. restrs. and SS energy: 0.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -123.502610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.502610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.502610 (E_RNA)
where:
Base-Base interactions energy: -69.838
where: short stacking energy: -37.456
Base-Backbone interact. energy: -0.300
local terms energy: -53.365207
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -11.080
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -1.322
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -122.785159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.785159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.123454 (E_RNA)
where:
Base-Base interactions energy: -74.017
where: short stacking energy: -28.983
Base-Backbone interact. energy: 0.926
local terms energy: -50.032951
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -6.095
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -8.975
Dist. restrs. and SS energy: 0.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -190.638087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.638087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.660266 (E_RNA)
where:
Base-Base interactions energy: -119.973
where: short stacking energy: -61.263
Base-Backbone interact. energy: 0.191
local terms energy: -70.878717
where:
bonds (distance) C4'-P energy: -16.092
bonds (distance) P-C4' energy: -20.029
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -9.422
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -200.724323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.724323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.134198 (E_RNA)
where:
Base-Base interactions energy: -119.537
where: short stacking energy: -71.952
Base-Backbone interact. energy: -0.404
local terms energy: -81.192500
where:
bonds (distance) C4'-P energy: -18.129
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -17.415
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -17.083
Dist. restrs. and SS energy: 0.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -177.913178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.913178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.922996 (E_RNA)
where:
Base-Base interactions energy: -101.004
where: short stacking energy: -58.161
Base-Backbone interact. energy: -0.023
local terms energy: -76.895904
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -13.251
tors. eta vs tors. theta energy: -16.149
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -166.856858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.856858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.856858 (E_RNA)
where:
Base-Base interactions energy: -88.903
where: short stacking energy: -54.930
Base-Backbone interact. energy: -0.070
local terms energy: -77.884588
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -11.964
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: 5, replica: 2
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -169.756236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.756236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.756236 (E_RNA)
where:
Base-Base interactions energy: -97.061
where: short stacking energy: -54.910
Base-Backbone interact. energy: -0.767
local terms energy: -71.928253
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -17.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -144.544037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.544037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.737121 (E_RNA)
where:
Base-Base interactions energy: -84.008
where: short stacking energy: -45.426
Base-Backbone interact. energy: -0.212
local terms energy: -60.517151
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -6.013
tors. eta vs tors. theta energy: -8.128
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -144.240449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.240449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.240449 (E_RNA)
where:
Base-Base interactions energy: -86.897
where: short stacking energy: -46.258
Base-Backbone interact. energy: -0.005
local terms energy: -57.338510
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -11.084
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -7.194
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -137.789024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.789024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.829595 (E_RNA)
where:
Base-Base interactions energy: -74.724
where: short stacking energy: -53.831
Base-Backbone interact. energy: -0.036
local terms energy: -63.070168
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -4.761
tors. eta vs tors. theta energy: -15.272
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -127.984603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.984603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.998155 (E_RNA)
where:
Base-Base interactions energy: -75.560
where: short stacking energy: -38.810
Base-Backbone interact. energy: -1.021
local terms energy: -51.416741
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -10.227
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -3.045
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -128.359547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.359547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.359547 (E_RNA)
where:
Base-Base interactions energy: -73.350
where: short stacking energy: -37.232
Base-Backbone interact. energy: -0.092
local terms energy: -54.917910
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -3.942
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -209.189629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.189629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.206445 (E_RNA)
where:
Base-Base interactions energy: -126.537
where: short stacking energy: -64.319
Base-Backbone interact. energy: 0.129
local terms energy: -82.798353
where:
bonds (distance) C4'-P energy: -18.627
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -18.105
Dist. restrs. and SS energy: 0.017 (S_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: 184
Temperature: 0.950000
Total energy: -193.970790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.970790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.404692 (E_RNA)
where:
Base-Base interactions energy: -111.570
where: short stacking energy: -67.865
Base-Backbone interact. energy: -0.375
local terms energy: -82.459639
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -21.366
Dist. restrs. and SS energy: 0.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -177.484707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.484707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.536192 (E_RNA)
where:
Base-Base interactions energy: -106.540
where: short stacking energy: -65.246
Base-Backbone interact. energy: -0.026
local terms energy: -70.970098
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -17.055
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -182.092344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.092344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.266766 (E_RNA)
where:
Base-Base interactions energy: -105.532
where: short stacking energy: -63.401
Base-Backbone interact. energy: -0.281
local terms energy: -76.453641
where:
bonds (distance) C4'-P energy: -18.697
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: -16.978
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -168.199955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.199955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.245424 (E_RNA)
where:
Base-Base interactions energy: -104.126
where: short stacking energy: -46.386
Base-Backbone interact. energy: -0.164
local terms energy: -63.956041
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -9.974
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -137.760509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.760509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.760509 (E_RNA)
where:
Base-Base interactions energy: -80.076
where: short stacking energy: -43.605
Base-Backbone interact. energy: -0.264
local terms energy: -57.419862
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -8.784
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -9.697
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -140.835934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.835934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.838673 (E_RNA)
where:
Base-Base interactions energy: -77.131
where: short stacking energy: -48.511
Base-Backbone interact. energy: -0.479
local terms energy: -63.229067
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -11.423
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. 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: -140.686679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.686679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.695687 (E_RNA)
where:
Base-Base interactions energy: -82.859
where: short stacking energy: -39.243
Base-Backbone interact. energy: -0.207
local terms energy: -57.629778
where:
bonds (distance) C4'-P energy: -15.948
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -11.733
flat angles P-C4'-P energy: -5.949
tors. eta vs tors. theta energy: -10.529
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -140.906876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.906876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.074346 (E_RNA)
where:
Base-Base interactions energy: -77.233
where: short stacking energy: -41.260
Base-Backbone interact. energy: -0.113
local terms energy: -63.728397
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -9.472
Dist. restrs. and SS energy: 0.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -127.201697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.201697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.201697 (E_RNA)
where:
Base-Base interactions energy: -68.707
where: short stacking energy: -37.603
Base-Backbone interact. energy: -0.772
local terms energy: -57.722025
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -2.112
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -212.153376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.153376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.292042 (E_RNA)
where:
Base-Base interactions energy: -136.054
where: short stacking energy: -73.789
Base-Backbone interact. energy: -0.023
local terms energy: -76.214818
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -13.285
tors. eta vs tors. theta energy: -19.582
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -185.677362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.677362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.677362 (E_RNA)
where:
Base-Base interactions energy: -113.251
where: short stacking energy: -63.823
Base-Backbone interact. energy: -0.090
local terms energy: -72.335693
where:
bonds (distance) C4'-P energy: -14.341
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -15.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -196.074263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.074263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.260607 (E_RNA)
where:
Base-Base interactions energy: -121.609
where: short stacking energy: -70.941
Base-Backbone interact. energy: -0.924
local terms energy: -73.727159
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -12.448
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -20.974
Dist. restrs. and SS energy: 0.186 (S_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: 185
Temperature: 1.050000
Total energy: -169.996828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.996828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.049307 (E_RNA)
where:
Base-Base interactions energy: -102.878
where: short stacking energy: -57.395
Base-Backbone interact. energy: -0.150
local terms energy: -67.020903
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -11.455
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -162.712370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.712370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.712370 (E_RNA)
where:
Base-Base interactions energy: -97.277
where: short stacking energy: -53.654
Base-Backbone interact. energy: 0.234
local terms energy: -65.669797
where:
bonds (distance) C4'-P energy: -10.877
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -10.932
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -152.844898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.844898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.319008 (E_RNA)
where:
Base-Base interactions energy: -96.042
where: short stacking energy: -59.424
Base-Backbone interact. energy: -0.048
local terms energy: -57.229338
where:
bonds (distance) C4'-P energy: -9.845
bonds (distance) P-C4' energy: -16.867
flat angles C4'-P-C4' energy: -10.556
flat angles P-C4'-P energy: -6.951
tors. eta vs tors. theta energy: -13.009
Dist. restrs. and SS energy: 0.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -138.015759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.015759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.230264 (E_RNA)
where:
Base-Base interactions energy: -80.626
where: short stacking energy: -47.170
Base-Backbone interact. energy: -0.591
local terms energy: -57.013285
where:
bonds (distance) C4'-P energy: -14.652
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -8.557
Dist. restrs. and SS energy: 0.215 (S_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: 185
Temperature: 1.250000
Total energy: -135.152177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.152177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.190328 (E_RNA)
where:
Base-Base interactions energy: -70.758
where: short stacking energy: -38.251
Base-Backbone interact. energy: -0.118
local terms energy: -64.313652
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -8.824
Dist. restrs. and SS energy: 0.038 (S_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: 185
Temperature: 1.300000
Total energy: -132.872828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.872828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.918078 (E_RNA)
where:
Base-Base interactions energy: -89.921
where: short stacking energy: -45.324
Base-Backbone interact. energy: -0.294
local terms energy: -42.702936
where:
bonds (distance) C4'-P energy: -7.821
bonds (distance) P-C4' energy: -8.230
flat angles C4'-P-C4' energy: -9.515
flat angles P-C4'-P energy: -7.725
tors. eta vs tors. theta energy: -9.412
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -120.027824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.027824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.041564 (E_RNA)
where:
Base-Base interactions energy: -67.525
where: short stacking energy: -32.466
Base-Backbone interact. energy: -0.087
local terms energy: -52.430152
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -5.651
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -205.640952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.640952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.893403 (E_RNA)
where:
Base-Base interactions energy: -129.016
where: short stacking energy: -62.300
Base-Backbone interact. energy: 0.008
local terms energy: -76.884812
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -17.909
Dist. restrs. and SS energy: 0.252 (S_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: 186
Temperature: 0.950000
Total energy: -180.702140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.702140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.703306 (E_RNA)
where:
Base-Base interactions energy: -104.418
where: short stacking energy: -70.738
Base-Backbone interact. energy: -0.028
local terms energy: -76.257358
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -22.192
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -178.268277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.268277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.503592 (E_RNA)
where:
Base-Base interactions energy: -109.163
where: short stacking energy: -62.072
Base-Backbone interact. energy: -0.251
local terms energy: -69.089218
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -8.679
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -18.720
Dist. restrs. and SS energy: 0.235 (S_DIST_RNA)
chem. 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: -173.882545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.882545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.892137 (E_RNA)
where:
Base-Base interactions energy: -102.072
where: short stacking energy: -59.021
Base-Backbone interact. energy: -0.015
local terms energy: -71.804775
where:
bonds (distance) C4'-P energy: -13.062
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -13.297
tors. eta vs tors. theta energy: -15.306
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -163.850749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.850749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.862887 (E_RNA)
where:
Base-Base interactions energy: -95.866
where: short stacking energy: -52.601
Base-Backbone interact. energy: -0.608
local terms energy: -67.389169
where:
bonds (distance) C4'-P energy: -12.134
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -13.203
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -160.161698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.161698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.225062 (E_RNA)
where:
Base-Base interactions energy: -92.778
where: short stacking energy: -46.929
Base-Backbone interact. energy: -0.120
local terms energy: -67.327326
where:
bonds (distance) C4'-P energy: -17.065
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -11.018
Dist. restrs. and SS energy: 0.063 (S_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: 186
Temperature: 1.200000
Total energy: -119.451475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.451475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.884473 (E_RNA)
where:
Base-Base interactions energy: -69.917
where: short stacking energy: -42.410
Base-Backbone interact. energy: -0.123
local terms energy: -49.844075
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -5.525
tors. eta vs tors. theta energy: -1.882
Dist. restrs. and SS energy: 0.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -132.057782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.057782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.183640 (E_RNA)
where:
Base-Base interactions energy: -73.997
where: short stacking energy: -45.287
Base-Backbone interact. energy: -0.056
local terms energy: -58.130732
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -11.608
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -8.757
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -139.908376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.908376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.952300 (E_RNA)
where:
Base-Base interactions energy: -83.806
where: short stacking energy: -38.207
Base-Backbone interact. energy: -0.043
local terms energy: -56.103875
where:
bonds (distance) C4'-P energy: -9.186
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -18.534
flat angles P-C4'-P energy: -5.322
tors. eta vs tors. theta energy: -8.051
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -135.578386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.578386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.585306 (E_RNA)
where:
Base-Base interactions energy: -75.309
where: short stacking energy: -40.129
Base-Backbone interact. energy: -0.113
local terms energy: -60.164102
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -8.637
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -208.938977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.938977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.212868 (E_RNA)
where:
Base-Base interactions energy: -135.427
where: short stacking energy: -60.593
Base-Backbone interact. energy: 0.235
local terms energy: -74.020906
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -16.789
flat angles C4'-P-C4' energy: -18.120
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -12.257
Dist. restrs. and SS energy: 0.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -184.625097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.625097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.668996 (E_RNA)
where:
Base-Base interactions energy: -108.248
where: short stacking energy: -67.589
Base-Backbone interact. energy: -0.475
local terms energy: -75.945725
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -20.648
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -190.946640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.946640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.946640 (E_RNA)
where:
Base-Base interactions energy: -117.057
where: short stacking energy: -70.614
Base-Backbone interact. energy: -0.156
local terms energy: -73.733485
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -19.879
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: 187
Temperature: 1.050000
Total energy: -168.232797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.232797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.232797 (E_RNA)
where:
Base-Base interactions energy: -102.504
where: short stacking energy: -59.735
Base-Backbone interact. energy: 0.218
local terms energy: -65.947008
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -7.577
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -16.357
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -169.674781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.674781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.648808 (E_RNA)
where:
Base-Base interactions energy: -96.016
where: short stacking energy: -53.911
Base-Backbone interact. energy: -0.104
local terms energy: -74.527927
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -13.149
Dist. restrs. and SS energy: 0.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -156.180969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.180969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.207001 (E_RNA)
where:
Base-Base interactions energy: -95.807
where: short stacking energy: -57.023
Base-Backbone interact. energy: -0.147
local terms energy: -60.252649
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -6.212
tors. eta vs tors. theta energy: -15.173
Dist. restrs. and SS energy: 0.026 (S_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: 187
Temperature: 1.200000
Total energy: -124.019631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.019631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.019631 (E_RNA)
where:
Base-Base interactions energy: -75.974
where: short stacking energy: -37.161
Base-Backbone interact. energy: -0.804
local terms energy: -47.241502
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -6.534
tors. eta vs tors. theta energy: 0.229
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -137.721358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.721358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.767912 (E_RNA)
where:
Base-Base interactions energy: -75.155
where: short stacking energy: -36.788
Base-Backbone interact. energy: -0.570
local terms energy: -62.042371
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -8.956
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -134.852698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.852698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.875492 (E_RNA)
where:
Base-Base interactions energy: -76.736
where: short stacking energy: -34.513
Base-Backbone interact. energy: -0.360
local terms energy: -57.779191
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -4.976
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -133.058054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.058054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.058054 (E_RNA)
where:
Base-Base interactions energy: -78.263
where: short stacking energy: -37.377
Base-Backbone interact. energy: -0.269
local terms energy: -54.525720
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -5.433
tors. eta vs tors. theta energy: -10.630
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -198.310947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.310947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.507728 (E_RNA)
where:
Base-Base interactions energy: -126.572
where: short stacking energy: -62.005
Base-Backbone interact. energy: -0.358
local terms energy: -71.577339
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -14.042
Dist. restrs. and SS energy: 0.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -190.650085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.650085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.650085 (E_RNA)
where:
Base-Base interactions energy: -115.528
where: short stacking energy: -63.062
Base-Backbone interact. energy: -0.134
local terms energy: -74.988682
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -16.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -182.343628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.343628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.765475 (E_RNA)
where:
Base-Base interactions energy: -108.926
where: short stacking energy: -63.448
Base-Backbone interact. energy: -0.033
local terms energy: -73.806163
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -18.014
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -16.802
Dist. restrs. and SS energy: 0.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -174.689291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.689291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.805056 (E_RNA)
where:
Base-Base interactions energy: -99.102
where: short stacking energy: -52.690
Base-Backbone interact. energy: -0.128
local terms energy: -75.575177
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -13.314
tors. eta vs tors. theta energy: -16.275
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -157.665354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.665354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.715194 (E_RNA)
where:
Base-Base interactions energy: -102.031
where: short stacking energy: -56.332
Base-Backbone interact. energy: -0.211
local terms energy: -55.472875
where:
bonds (distance) C4'-P energy: -10.507
bonds (distance) P-C4' energy: -10.430
flat angles C4'-P-C4' energy: -9.957
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -15.768
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -150.340256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.340256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.374984 (E_RNA)
where:
Base-Base interactions energy: -89.151
where: short stacking energy: -49.694
Base-Backbone interact. energy: -0.148
local terms energy: -61.075514
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -5.482
tors. eta vs tors. theta energy: -7.517
Dist. restrs. and SS energy: 0.035 (S_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: 188
Temperature: 1.200000
Total energy: -137.408567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.408567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.506765 (E_RNA)
where:
Base-Base interactions energy: -77.643
where: short stacking energy: -35.882
Base-Backbone interact. energy: -0.177
local terms energy: -59.686212
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -13.109
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: -7.766
Dist. restrs. and SS energy: 0.098 (S_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: 188
Temperature: 1.250000
Total energy: -140.141511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.141511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.228879 (E_RNA)
where:
Base-Base interactions energy: -78.387
where: short stacking energy: -48.774
Base-Backbone interact. energy: -0.047
local terms energy: -61.795114
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -9.309
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -9.103
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -133.076468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.076468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.076468 (E_RNA)
where:
Base-Base interactions energy: -80.635
where: short stacking energy: -36.719
Base-Backbone interact. energy: 0.499
local terms energy: -52.939760
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -4.399
tors. eta vs tors. theta energy: -6.169
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -125.116604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.116604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.197471 (E_RNA)
where:
Base-Base interactions energy: -66.826
where: short stacking energy: -34.727
Base-Backbone interact. energy: -0.564
local terms energy: -57.807729
where:
bonds (distance) C4'-P energy: -10.255
bonds (distance) P-C4' energy: -15.214
flat angles C4'-P-C4' energy: -10.962
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -8.386
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -205.033186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.033186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.033186 (E_RNA)
where:
Base-Base interactions energy: -124.923
where: short stacking energy: -60.522
Base-Backbone interact. energy: -0.561
local terms energy: -79.548431
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -17.806
flat angles P-C4'-P energy: -9.619
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: 2, replica: 6
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -187.306113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.306113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.358115 (E_RNA)
where:
Base-Base interactions energy: -113.630
where: short stacking energy: -67.108
Base-Backbone interact. energy: -0.064
local terms energy: -73.664564
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -15.785
flat angles C4'-P-C4' energy: -17.323
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -18.444
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -180.366540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.366540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.632881 (E_RNA)
where:
Base-Base interactions energy: -110.807
where: short stacking energy: -61.557
Base-Backbone interact. energy: -0.031
local terms energy: -69.794907
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -17.361
Dist. restrs. and SS energy: 0.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -150.355117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.355117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.451711 (E_RNA)
where:
Base-Base interactions energy: -93.965
where: short stacking energy: -50.349
Base-Backbone interact. energy: -0.917
local terms energy: -55.569352
where:
bonds (distance) C4'-P energy: -12.217
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -1.994
tors. eta vs tors. theta energy: -12.099
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -150.417562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.417562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.461910 (E_RNA)
where:
Base-Base interactions energy: -83.155
where: short stacking energy: -46.112
Base-Backbone interact. energy: -0.084
local terms energy: -67.223407
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -10.838
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -148.950388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.950388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.331661 (E_RNA)
where:
Base-Base interactions energy: -91.079
where: short stacking energy: -47.855
Base-Backbone interact. energy: -0.012
local terms energy: -58.240096
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -6.702
tors. eta vs tors. theta energy: -11.494
Dist. restrs. and SS energy: 0.381 (S_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: 189
Temperature: 1.200000
Total energy: -130.708690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.708690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.708690 (E_RNA)
where:
Base-Base interactions energy: -70.373
where: short stacking energy: -43.411
Base-Backbone interact. energy: -1.460
local terms energy: -58.875097
where:
bonds (distance) C4'-P energy: -10.335
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -7.381
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -126.636423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.636423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.842348 (E_RNA)
where:
Base-Base interactions energy: -70.224
where: short stacking energy: -41.747
Base-Backbone interact. energy: -0.137
local terms energy: -56.480843
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -18.743
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -1.781
tors. eta vs tors. theta energy: -4.438
Dist. restrs. and SS energy: 0.206 (S_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: 189
Temperature: 1.300000
Total energy: -117.649344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.649344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.649344 (E_RNA)
where:
Base-Base interactions energy: -59.033
where: short stacking energy: -26.209
Base-Backbone interact. energy: -0.296
local terms energy: -58.320059
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -7.461
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: 5
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -129.515919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.515919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.515919 (E_RNA)
where:
Base-Base interactions energy: -77.113
where: short stacking energy: -41.179
Base-Backbone interact. energy: -0.119
local terms energy: -52.283908
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -12.428
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -5.912
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -203.761653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.761653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.761653 (E_RNA)
where:
Base-Base interactions energy: -123.291
where: short stacking energy: -67.425
Base-Backbone interact. energy: -0.497
local terms energy: -79.973622
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -20.355
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: 6
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -193.033644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.033644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.033644 (E_RNA)
where:
Base-Base interactions energy: -119.735
where: short stacking energy: -56.458
Base-Backbone interact. energy: -0.015
local terms energy: -73.283684
where:
bonds (distance) C4'-P energy: -11.629
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -18.261
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: -14.956
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -181.626777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.626777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.626777 (E_RNA)
where:
Base-Base interactions energy: -113.871
where: short stacking energy: -66.173
Base-Backbone interact. energy: -0.004
local terms energy: -67.752366
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -6.013
tors. eta vs tors. theta energy: -17.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -157.649272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.649272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.819324 (E_RNA)
where:
Base-Base interactions energy: -89.062
where: short stacking energy: -53.438
Base-Backbone interact. energy: 0.842
local terms energy: -69.598767
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -12.372
Dist. restrs. and SS energy: 0.170 (S_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: 190
Temperature: 1.100000
Total energy: -144.616696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.616696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.160696 (E_RNA)
where:
Base-Base interactions energy: -81.053
where: short stacking energy: -45.529
Base-Backbone interact. energy: -0.451
local terms energy: -63.656938
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -11.611
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -11.936
Dist. restrs. and SS energy: 0.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -164.006922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.006922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.074639 (E_RNA)
where:
Base-Base interactions energy: -96.729
where: short stacking energy: -53.312
Base-Backbone interact. energy: 0.652
local terms energy: -67.997897
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -15.894
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. 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: -140.358313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.358313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.380132 (E_RNA)
where:
Base-Base interactions energy: -85.277
where: short stacking energy: -52.022
Base-Backbone interact. energy: -0.014
local terms energy: -55.089990
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -3.120
tors. eta vs tors. theta energy: -16.059
Dist. restrs. and SS energy: 0.022 (S_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: 190
Temperature: 1.250000
Total energy: -122.737180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.737180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.737180 (E_RNA)
where:
Base-Base interactions energy: -72.986
where: short stacking energy: -43.591
Base-Backbone interact. energy: -0.044
local terms energy: -49.706973
where:
bonds (distance) C4'-P energy: -9.311
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -5.251
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -136.807225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.807225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.807225 (E_RNA)
where:
Base-Base interactions energy: -87.239
where: short stacking energy: -36.209
Base-Backbone interact. energy: -0.653
local terms energy: -48.914982
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -5.736
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: 10
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -97.788143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.788143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.943151 (E_RNA)
where:
Base-Base interactions energy: -47.467
where: short stacking energy: -37.938
Base-Backbone interact. energy: 0.005
local terms energy: -54.480441
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -3.513
Dist. restrs. and SS energy: 4.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -207.806056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.806056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.924000 (E_RNA)
where:
Base-Base interactions energy: -131.007
where: short stacking energy: -62.854
Base-Backbone interact. energy: -0.192
local terms energy: -76.724395
where:
bonds (distance) C4'-P energy: -18.241
bonds (distance) P-C4' energy: -20.037
flat angles C4'-P-C4' energy: -10.824
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -15.112
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -191.192273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.192273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.192273 (E_RNA)
where:
Base-Base interactions energy: -121.683
where: short stacking energy: -67.404
Base-Backbone interact. energy: -0.676
local terms energy: -68.833519
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -13.038
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: 2
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -185.645946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.645946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.647532 (E_RNA)
where:
Base-Base interactions energy: -105.190
where: short stacking energy: -55.536
Base-Backbone interact. energy: -0.336
local terms energy: -80.121669
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -18.617
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -169.360249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.360249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.376887 (E_RNA)
where:
Base-Base interactions energy: -103.567
where: short stacking energy: -54.622
Base-Backbone interact. energy: -1.200
local terms energy: -64.609341
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -14.611
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -156.440030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.440030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.752701 (E_RNA)
where:
Base-Base interactions energy: -90.830
where: short stacking energy: -42.877
Base-Backbone interact. energy: -0.337
local terms energy: -65.586166
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -17.218
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -7.801
Dist. restrs. and SS energy: 0.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -150.680733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.680733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.692533 (E_RNA)
where:
Base-Base interactions energy: -88.435
where: short stacking energy: -44.078
Base-Backbone interact. energy: -0.100
local terms energy: -62.157961
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -5.730
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. 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: -129.708161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.708161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.143035 (E_RNA)
where:
Base-Base interactions energy: -69.410
where: short stacking energy: -42.368
Base-Backbone interact. energy: 0.049
local terms energy: -60.781702
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -9.116
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -11.146
Dist. restrs. and SS energy: 0.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -159.813055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.813055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.852231 (E_RNA)
where:
Base-Base interactions energy: -97.225
where: short stacking energy: -53.531
Base-Backbone interact. energy: -0.202
local terms energy: -62.424598
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -10.457
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -131.313408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.313408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.385363 (E_RNA)
where:
Base-Base interactions energy: -76.633
where: short stacking energy: -33.168
Base-Backbone interact. energy: -0.238
local terms energy: -54.513967
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -6.867
tors. eta vs tors. theta energy: -3.731
Dist. restrs. and SS energy: 0.072 (S_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: 191
Temperature: 1.350000
Total energy: -85.915353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.915353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.026515 (E_RNA)
where:
Base-Base interactions energy: -60.896
where: short stacking energy: -23.756
Base-Backbone interact. energy: 0.190
local terms energy: -25.320957
where:
bonds (distance) C4'-P energy: -11.534
bonds (distance) P-C4' energy: -7.862
flat angles C4'-P-C4' energy: -9.504
flat angles P-C4'-P energy: -0.021
tors. eta vs tors. theta energy: 3.600
Dist. restrs. and SS energy: 0.111 (S_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: 192
Temperature: 0.900000
Total energy: -187.640568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.640568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.773806 (E_RNA)
where:
Base-Base interactions energy: -117.641
where: short stacking energy: -72.277
Base-Backbone interact. energy: -0.933
local terms energy: -69.199433
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -7.097
tors. eta vs tors. theta energy: -18.886
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -202.089401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.089401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.107461 (E_RNA)
where:
Base-Base interactions energy: -130.436
where: short stacking energy: -64.476
Base-Backbone interact. energy: -0.226
local terms energy: -71.444920
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -19.381
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -183.495859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.495859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.700944 (E_RNA)
where:
Base-Base interactions energy: -114.430
where: short stacking energy: -62.162
Base-Backbone interact. energy: -0.525
local terms energy: -68.745231
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -7.295
tors. eta vs tors. theta energy: -17.157
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -171.129953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.129953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.129953 (E_RNA)
where:
Base-Base interactions energy: -105.487
where: short stacking energy: -60.125
Base-Backbone interact. energy: -0.018
local terms energy: -65.624630
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -9.523
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: 5, replica: 1
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -168.146895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.146895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.181736 (E_RNA)
where:
Base-Base interactions energy: -94.410
where: short stacking energy: -59.640
Base-Backbone interact. energy: 0.212
local terms energy: -73.983106
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -14.751
tors. eta vs tors. theta energy: -16.150
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -149.357767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.357767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.596668 (E_RNA)
where:
Base-Base interactions energy: -90.386
where: short stacking energy: -42.190
Base-Backbone interact. energy: -0.212
local terms energy: -58.999015
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -11.696
Dist. restrs. and SS energy: 0.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -163.385234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.385234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.387519 (E_RNA)
where:
Base-Base interactions energy: -104.742
where: short stacking energy: -52.544
Base-Backbone interact. energy: 1.207
local terms energy: -59.852218
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -8.192
flat angles C4'-P-C4' energy: -10.685
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: -12.062
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -127.736454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.736454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.822838 (E_RNA)
where:
Base-Base interactions energy: -66.703
where: short stacking energy: -38.669
Base-Backbone interact. energy: -0.684
local terms energy: -60.435925
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -12.770
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -6.613
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -134.031170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.031170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.040221 (E_RNA)
where:
Base-Base interactions energy: -69.338
where: short stacking energy: -48.649
Base-Backbone interact. energy: 1.402
local terms energy: -66.104429
where:
bonds (distance) C4'-P energy: -16.499
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -7.376
Dist. restrs. and SS energy: 0.009 (S_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: 192
Temperature: 1.350000
Total energy: -99.792211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.792211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.156516 (E_RNA)
where:
Base-Base interactions energy: -47.437
where: short stacking energy: -28.159
Base-Backbone interact. energy: -0.482
local terms energy: -54.237072
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -4.522
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -9.207
Dist. restrs. and SS energy: 2.364 (S_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: 193
Temperature: 0.900000
Total energy: -196.962351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.962351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.978418 (E_RNA)
where:
Base-Base interactions energy: -121.369
where: short stacking energy: -62.329
Base-Backbone interact. energy: -0.071
local terms energy: -75.538617
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -12.366
tors. eta vs tors. theta energy: -19.406
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -182.416545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.416545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.982324 (E_RNA)
where:
Base-Base interactions energy: -109.944
where: short stacking energy: -61.830
Base-Backbone interact. energy: -0.051
local terms energy: -72.987034
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -15.117
Dist. restrs. and SS energy: 0.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -187.457340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.457340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.047326 (E_RNA)
where:
Base-Base interactions energy: -122.913
where: short stacking energy: -59.091
Base-Backbone interact. energy: -0.121
local terms energy: -65.013299
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -12.628
Dist. restrs. and SS energy: 0.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -175.874545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.874545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.898157 (E_RNA)
where:
Base-Base interactions energy: -110.888
where: short stacking energy: -60.708
Base-Backbone interact. energy: -1.544
local terms energy: -63.466216
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -6.631
tors. eta vs tors. theta energy: -18.914
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. 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: -162.019761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.019761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.388247 (E_RNA)
where:
Base-Base interactions energy: -93.641
where: short stacking energy: -50.069
Base-Backbone interact. energy: 0.156
local terms energy: -68.903650
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -12.479
Dist. restrs. and SS energy: 0.368 (S_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: 193
Temperature: 1.150000
Total energy: -156.425771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.425771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.427833 (E_RNA)
where:
Base-Base interactions energy: -92.238
where: short stacking energy: -52.944
Base-Backbone interact. energy: -0.056
local terms energy: -64.133360
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -12.604
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -137.065784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.065784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.093493 (E_RNA)
where:
Base-Base interactions energy: -88.740
where: short stacking energy: -46.813
Base-Backbone interact. energy: -0.240
local terms energy: -48.113489
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -9.781
flat angles P-C4'-P energy: -6.241
tors. eta vs tors. theta energy: -7.546
Dist. restrs. and SS energy: 0.028 (S_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: 193
Temperature: 1.250000
Total energy: -142.383588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.383588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.129099 (E_RNA)
where:
Base-Base interactions energy: -84.274
where: short stacking energy: -36.531
Base-Backbone interact. energy: -0.061
local terms energy: -58.794023
where:
bonds (distance) C4'-P energy: -9.187
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -8.744
Dist. restrs. and SS energy: 0.746 (S_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: 193
Temperature: 1.300000
Total energy: -111.521224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.521224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.534355 (E_RNA)
where:
Base-Base interactions energy: -64.116
where: short stacking energy: -34.862
Base-Backbone interact. energy: -0.145
local terms energy: -47.273834
where:
bonds (distance) C4'-P energy: -11.090
bonds (distance) P-C4' energy: -9.899
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -8.095
tors. eta vs tors. theta energy: -1.884
Dist. restrs. and SS energy: 0.013 (S_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: 193
Temperature: 1.350000
Total energy: -91.367892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.367892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.428445 (E_RNA)
where:
Base-Base interactions energy: -45.912
where: short stacking energy: -19.007
Base-Backbone interact. energy: 0.322
local terms energy: -45.838594
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -17.574
flat angles C4'-P-C4' energy: -11.495
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: 1.782
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -190.584836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.584836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.758607 (E_RNA)
where:
Base-Base interactions energy: -113.437
where: short stacking energy: -64.708
Base-Backbone interact. energy: -0.569
local terms energy: -76.753034
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -14.568
tors. eta vs tors. theta energy: -16.600
Dist. restrs. and SS energy: 0.174 (S_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: 194
Temperature: 0.950000
Total energy: -202.915342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.915342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.205243 (E_RNA)
where:
Base-Base interactions energy: -128.926
where: short stacking energy: -69.794
Base-Backbone interact. energy: -0.058
local terms energy: -74.221121
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -19.409
Dist. restrs. and SS energy: 0.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -174.245368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.245368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.284295 (E_RNA)
where:
Base-Base interactions energy: -102.263
where: short stacking energy: -63.484
Base-Backbone interact. energy: -0.010
local terms energy: -72.011195
where:
bonds (distance) C4'-P energy: -16.112
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -12.511
Dist. restrs. and SS energy: 0.039 (S_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: 194
Temperature: 1.050000
Total energy: -170.429534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.429534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.494786 (E_RNA)
where:
Base-Base interactions energy: -103.492
where: short stacking energy: -42.172
Base-Backbone interact. energy: -0.234
local terms energy: -66.768991
where:
bonds (distance) C4'-P energy: -16.220
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -12.960
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. 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: -164.377185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.377185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.515149 (E_RNA)
where:
Base-Base interactions energy: -100.747
where: short stacking energy: -51.885
Base-Backbone interact. energy: -0.002
local terms energy: -63.766414
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -10.060
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -14.746
Dist. restrs. and SS energy: 0.138 (S_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: 194
Temperature: 1.150000
Total energy: -155.040187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.040187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.109661 (E_RNA)
where:
Base-Base interactions energy: -95.831
where: short stacking energy: -49.359
Base-Backbone interact. energy: 0.039
local terms energy: -59.318217
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -10.761
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -10.895
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -127.844695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.844695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.931068 (E_RNA)
where:
Base-Base interactions energy: -63.948
where: short stacking energy: -36.845
Base-Backbone interact. energy: -0.236
local terms energy: -63.747330
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -6.117
Dist. restrs. and SS energy: 0.086 (S_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: 194
Temperature: 1.250000
Total energy: -120.249701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.249701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.249701 (E_RNA)
where:
Base-Base interactions energy: -66.637
where: short stacking energy: -38.483
Base-Backbone interact. energy: -0.107
local terms energy: -53.506212
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -6.364
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -129.277196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.277196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.315851 (E_RNA)
where:
Base-Base interactions energy: -74.933
where: short stacking energy: -39.529
Base-Backbone interact. energy: -0.164
local terms energy: -54.218567
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -9.632
flat angles P-C4'-P energy: -6.156
tors. eta vs tors. theta energy: -6.855
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -83.819245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.819245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.268772 (E_RNA)
where:
Base-Base interactions energy: -33.364
where: short stacking energy: -18.836
Base-Backbone interact. energy: -0.183
local terms energy: -50.722547
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -9.923
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -3.815
Dist. restrs. and SS energy: 0.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -176.990275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.990275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.999981 (E_RNA)
where:
Base-Base interactions energy: -102.131
where: short stacking energy: -63.608
Base-Backbone interact. energy: -0.089
local terms energy: -74.779702
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -15.827
tors. eta vs tors. theta energy: -13.041
Dist. restrs. and SS energy: 0.010 (S_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: 195
Temperature: 0.950000
Total energy: -192.239965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.239965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.335121 (E_RNA)
where:
Base-Base interactions energy: -112.942
where: short stacking energy: -70.035
Base-Backbone interact. energy: -0.054
local terms energy: -79.340081
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -20.042
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -180.935652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.935652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.400133 (E_RNA)
where:
Base-Base interactions energy: -113.650
where: short stacking energy: -67.423
Base-Backbone interact. energy: -0.007
local terms energy: -67.742419
where:
bonds (distance) C4'-P energy: -12.958
bonds (distance) P-C4' energy: -18.810
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -14.003
Dist. restrs. and SS energy: 0.464 (S_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: 195
Temperature: 1.050000
Total energy: -172.565986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.565986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.565986 (E_RNA)
where:
Base-Base interactions energy: -112.200
where: short stacking energy: -44.743
Base-Backbone interact. energy: -0.205
local terms energy: -60.160857
where:
bonds (distance) C4'-P energy: -17.145
bonds (distance) P-C4' energy: -10.003
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -6.951
tors. eta vs tors. theta energy: -12.565
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -175.191579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.191579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.740135 (E_RNA)
where:
Base-Base interactions energy: -117.160
where: short stacking energy: -55.458
Base-Backbone interact. energy: -0.863
local terms energy: -57.716954
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -11.286
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -12.144
Dist. restrs. and SS energy: 0.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -140.144309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.144309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.144309 (E_RNA)
where:
Base-Base interactions energy: -83.599
where: short stacking energy: -38.516
Base-Backbone interact. energy: -0.005
local terms energy: -56.539534
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: -6.076
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: 5
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -136.890865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.890865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.890865 (E_RNA)
where:
Base-Base interactions energy: -70.101
where: short stacking energy: -41.485
Base-Backbone interact. energy: -0.412
local terms energy: -66.378309
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -9.935
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -145.183500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.183500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.216276 (E_RNA)
where:
Base-Base interactions energy: -89.594
where: short stacking energy: -40.247
Base-Backbone interact. energy: -0.060
local terms energy: -55.562511
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -8.733
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -9.540
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -121.484246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.484246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.491296 (E_RNA)
where:
Base-Base interactions energy: -65.554
where: short stacking energy: -33.108
Base-Backbone interact. energy: -0.115
local terms energy: -55.821623
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -18.553
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -6.813
tors. eta vs tors. theta energy: -4.124
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -114.293334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.293334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.323640 (E_RNA)
where:
Base-Base interactions energy: -63.245
where: short stacking energy: -37.579
Base-Backbone interact. energy: -0.172
local terms energy: -50.906240
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -1.960
tors. eta vs tors. theta energy: -6.051
Dist. restrs. and SS energy: 0.030 (S_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: 196
Temperature: 0.900000
Total energy: -200.061142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.061142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.093289 (E_RNA)
where:
Base-Base interactions energy: -118.021
where: short stacking energy: -67.185
Base-Backbone interact. energy: -0.547
local terms energy: -81.525376
where:
bonds (distance) C4'-P energy: -18.486
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -19.394
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -169.400134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.400134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.410211 (E_RNA)
where:
Base-Base interactions energy: -99.311
where: short stacking energy: -54.257
Base-Backbone interact. energy: -0.693
local terms energy: -69.406356
where:
bonds (distance) C4'-P energy: -17.678
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -11.331
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -174.491596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.491596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.491596 (E_RNA)
where:
Base-Base interactions energy: -105.093
where: short stacking energy: -65.710
Base-Backbone interact. energy: 4.231
local terms energy: -73.629649
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -19.978
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -12.507
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: 9
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -170.436568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.436568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.558522 (E_RNA)
where:
Base-Base interactions energy: -102.498
where: short stacking energy: -53.770
Base-Backbone interact. energy: -0.085
local terms energy: -67.976441
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -12.206
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -14.478
Dist. restrs. and SS energy: 0.122 (S_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: 196
Temperature: 1.100000
Total energy: -148.957922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.957922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.958841 (E_RNA)
where:
Base-Base interactions energy: -80.160
where: short stacking energy: -44.338
Base-Backbone interact. energy: -0.196
local terms energy: -68.603350
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -6.874
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -168.755407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.755407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.165506 (E_RNA)
where:
Base-Base interactions energy: -101.750
where: short stacking energy: -55.481
Base-Backbone interact. energy: -0.155
local terms energy: -67.260445
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -11.848
Dist. restrs. and SS energy: 0.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -146.194041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.194041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.163227 (E_RNA)
where:
Base-Base interactions energy: -84.411
where: short stacking energy: -46.462
Base-Backbone interact. energy: -0.017
local terms energy: -62.735612
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -13.788
Dist. restrs. and SS energy: 0.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -140.511474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.511474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.195243 (E_RNA)
where:
Base-Base interactions energy: -86.072
where: short stacking energy: -49.780
Base-Backbone interact. energy: -0.232
local terms energy: -54.891976
where:
bonds (distance) C4'-P energy: -8.366
bonds (distance) P-C4' energy: -9.984
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -13.485
Dist. restrs. and SS energy: 0.684 (S_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: 196
Temperature: 1.300000
Total energy: -134.192836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.192836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.203849 (E_RNA)
where:
Base-Base interactions energy: -80.086
where: short stacking energy: -44.063
Base-Backbone interact. energy: -0.014
local terms energy: -54.103859
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -11.206
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -7.836
tors. eta vs tors. theta energy: -8.524
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -133.688197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.688197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.036472 (E_RNA)
where:
Base-Base interactions energy: -77.208
where: short stacking energy: -41.265
Base-Backbone interact. energy: 0.194
local terms energy: -57.023357
where:
bonds (distance) C4'-P energy: -10.138
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -7.659
Dist. restrs. and SS energy: 0.348 (S_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: 197
Temperature: 0.900000
Total energy: -192.848321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.848321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.848321 (E_RNA)
where:
Base-Base interactions energy: -119.542
where: short stacking energy: -68.635
Base-Backbone interact. energy: -0.103
local terms energy: -73.203753
where:
bonds (distance) C4'-P energy: -17.065
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -17.107
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -173.353532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.353532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.353532 (E_RNA)
where:
Base-Base interactions energy: -109.228
where: short stacking energy: -62.952
Base-Backbone interact. energy: -0.002
local terms energy: -64.123318
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -11.607
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -12.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -174.079692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.079692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.409750 (E_RNA)
where:
Base-Base interactions energy: -99.594
where: short stacking energy: -65.974
Base-Backbone interact. energy: -0.667
local terms energy: -74.148587
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -12.745
tors. eta vs tors. theta energy: -17.445
Dist. restrs. and SS energy: 0.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -158.031535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.031535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.031535 (E_RNA)
where:
Base-Base interactions energy: -91.387
where: short stacking energy: -57.335
Base-Backbone interact. energy: 0.503
local terms energy: -67.146764
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -4.529
tors. eta vs tors. theta energy: -15.976
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: 3
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -146.415422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.415422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.415422 (E_RNA)
where:
Base-Base interactions energy: -79.509
where: short stacking energy: -47.993
Base-Backbone interact. energy: -0.079
local terms energy: -66.827456
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -18.509
flat angles P-C4'-P energy: -6.061
tors. eta vs tors. theta energy: -11.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -143.785393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.785393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.871617 (E_RNA)
where:
Base-Base interactions energy: -80.322
where: short stacking energy: -47.369
Base-Backbone interact. energy: -0.544
local terms energy: -63.005499
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -11.688
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -160.691634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.691634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.691634 (E_RNA)
where:
Base-Base interactions energy: -94.303
where: short stacking energy: -57.560
Base-Backbone interact. energy: -0.531
local terms energy: -65.858486
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -12.502
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -149.199597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.199597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.512141 (E_RNA)
where:
Base-Base interactions energy: -91.870
where: short stacking energy: -48.973
Base-Backbone interact. energy: -1.066
local terms energy: -56.576114
where:
bonds (distance) C4'-P energy: -8.914
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -9.123
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -11.923
Dist. restrs. and SS energy: 0.313 (S_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: 197
Temperature: 1.300000
Total energy: -125.421353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.421353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.524408 (E_RNA)
where:
Base-Base interactions energy: -69.051
where: short stacking energy: -36.852
Base-Backbone interact. energy: -0.140
local terms energy: -56.333866
where:
bonds (distance) C4'-P energy: -10.335
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -11.015
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -136.852038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.852038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.862522 (E_RNA)
where:
Base-Base interactions energy: -82.166
where: short stacking energy: -44.203
Base-Backbone interact. energy: -0.135
local terms energy: -54.562010
where:
bonds (distance) C4'-P energy: -9.336
bonds (distance) P-C4' energy: -11.362
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -8.784
Dist. restrs. and SS energy: 0.010 (S_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: 198
Temperature: 0.900000
Total energy: -213.113584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.113584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.113584 (E_RNA)
where:
Base-Base interactions energy: -122.748
where: short stacking energy: -79.816
Base-Backbone interact. energy: -0.061
local terms energy: -90.304029
where:
bonds (distance) C4'-P energy: -17.078
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: -23.319
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: 2
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -182.528979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.528979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.546682 (E_RNA)
where:
Base-Base interactions energy: -99.717
where: short stacking energy: -57.355
Base-Backbone interact. energy: 1.433
local terms energy: -84.263115
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -18.373
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: -18.792
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -163.503917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.503917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.503917 (E_RNA)
where:
Base-Base interactions energy: -99.458
where: short stacking energy: -62.398
Base-Backbone interact. energy: -0.109
local terms energy: -63.937246
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -12.496
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -6.724
tors. eta vs tors. theta energy: -13.256
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -174.021255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.021255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.021255 (E_RNA)
where:
Base-Base interactions energy: -97.758
where: short stacking energy: -63.300
Base-Backbone interact. energy: -0.274
local terms energy: -75.989614
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -15.950
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -159.125349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.125349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.125349 (E_RNA)
where:
Base-Base interactions energy: -92.495
where: short stacking energy: -44.291
Base-Backbone interact. energy: -0.395
local terms energy: -66.234711
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -9.520
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: 3
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -168.046293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.046293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.070690 (E_RNA)
where:
Base-Base interactions energy: -97.668
where: short stacking energy: -52.151
Base-Backbone interact. energy: -1.231
local terms energy: -69.171664
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -14.490
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -135.504608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.504608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.615114 (E_RNA)
where:
Base-Base interactions energy: -79.626
where: short stacking energy: -41.418
Base-Backbone interact. energy: -0.044
local terms energy: -55.945062
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -5.216
tors. eta vs tors. theta energy: -10.078
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -146.803062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.803062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.915114 (E_RNA)
where:
Base-Base interactions energy: -84.467
where: short stacking energy: -47.190
Base-Backbone interact. energy: -0.223
local terms energy: -62.225814
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -11.674
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -134.832149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.832149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.886706 (E_RNA)
where:
Base-Base interactions energy: -79.768
where: short stacking energy: -41.957
Base-Backbone interact. energy: -0.078
local terms energy: -55.041438
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -10.122
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -7.473
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -105.346882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.346882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.346882 (E_RNA)
where:
Base-Base interactions energy: -53.756
where: short stacking energy: -27.164
Base-Backbone interact. energy: -0.192
local terms energy: -51.399174
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -10.126
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: 6
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -197.005225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.005225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.293555 (E_RNA)
where:
Base-Base interactions energy: -117.118
where: short stacking energy: -70.015
Base-Backbone interact. energy: 0.203
local terms energy: -80.378188
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -20.653
Dist. restrs. and SS energy: 0.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -183.341147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.341147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.341147 (E_RNA)
where:
Base-Base interactions energy: -109.742
where: short stacking energy: -61.648
Base-Backbone interact. energy: -0.520
local terms energy: -73.078430
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -16.990
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -15.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -189.531516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.531516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.550441 (E_RNA)
where:
Base-Base interactions energy: -113.164
where: short stacking energy: -70.139
Base-Backbone interact. energy: -0.101
local terms energy: -76.285727
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -21.641
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. 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: -155.389513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.389513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.389513 (E_RNA)
where:
Base-Base interactions energy: -91.900
where: short stacking energy: -49.274
Base-Backbone interact. energy: -0.089
local terms energy: -63.401028
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -14.654
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -7.764
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: 5, replica: 4
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -168.810171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.810171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.946204 (E_RNA)
where:
Base-Base interactions energy: -104.528
where: short stacking energy: -55.964
Base-Backbone interact. energy: -0.084
local terms energy: -64.334007
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -13.940
Dist. restrs. and SS energy: 0.136 (S_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: 199
Temperature: 1.150000
Total energy: -159.409029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.409029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.659860 (E_RNA)
where:
Base-Base interactions energy: -103.964
where: short stacking energy: -54.930
Base-Backbone interact. energy: -0.734
local terms energy: -54.961312
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -10.668
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -10.765
Dist. restrs. and SS energy: 0.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -133.433852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.433852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.568293 (E_RNA)
where:
Base-Base interactions energy: -69.039
where: short stacking energy: -43.914
Base-Backbone interact. energy: 0.671
local terms energy: -65.200388
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -10.395
Dist. restrs. and SS energy: 0.134 (S_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: 199
Temperature: 1.250000
Total energy: -146.861193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.861193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.861193 (E_RNA)
where:
Base-Base interactions energy: -90.966
where: short stacking energy: -43.124
Base-Backbone interact. energy: -0.007
local terms energy: -55.887732
where:
bonds (distance) C4'-P energy: -8.608
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -10.329
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -131.275445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.275445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.275445 (E_RNA)
where:
Base-Base interactions energy: -73.748
where: short stacking energy: -42.208
Base-Backbone interact. energy: -0.010
local terms energy: -57.517497
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -9.999
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -121.652872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.652872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.683681 (E_RNA)
where:
Base-Base interactions energy: -70.858
where: short stacking energy: -34.881
Base-Backbone interact. energy: -0.412
local terms energy: -50.413401
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -16.658
flat angles C4'-P-C4' energy: -8.524
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -4.502
Dist. restrs. and SS energy: 0.031 (S_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: 200
Temperature: 0.900000
Total energy: -201.900464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.900464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.900464 (E_RNA)
where:
Base-Base interactions energy: -122.944
where: short stacking energy: -82.413
Base-Backbone interact. energy: -0.029
local terms energy: -78.927857
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -23.402
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -191.232990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.232990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.515429 (E_RNA)
where:
Base-Base interactions energy: -120.867
where: short stacking energy: -71.426
Base-Backbone interact. energy: -0.042
local terms energy: -70.606055
where:
bonds (distance) C4'-P energy: -10.098
bonds (distance) P-C4' energy: -12.285
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -19.129
Dist. restrs. and SS energy: 0.282 (S_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: 200
Temperature: 1.000000
Total energy: -169.565448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.565448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.565448 (E_RNA)
where:
Base-Base interactions energy: -100.564
where: short stacking energy: -56.427
Base-Backbone interact. energy: -0.003
local terms energy: -68.998349
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -14.664
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: 9
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -179.836028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.836028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.836028 (E_RNA)
where:
Base-Base interactions energy: -102.255
where: short stacking energy: -62.879
Base-Backbone interact. energy: -0.801
local terms energy: -76.779447
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -19.347
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -15.818
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -165.057138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.057138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.113233 (E_RNA)
where:
Base-Base interactions energy: -97.969
where: short stacking energy: -51.530
Base-Backbone interact. energy: 0.045
local terms energy: -67.188958
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -12.648
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -151.804756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.804756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.111796 (E_RNA)
where:
Base-Base interactions energy: -94.570
where: short stacking energy: -52.366
Base-Backbone interact. energy: -0.009
local terms energy: -57.532180
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -9.994
Dist. restrs. and SS energy: 0.307 (S_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: 200
Temperature: 1.200000
Total energy: -145.305755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.305755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.708149 (E_RNA)
where:
Base-Base interactions energy: -87.423
where: short stacking energy: -46.533
Base-Backbone interact. energy: -0.072
local terms energy: -58.213324
where:
bonds (distance) C4'-P energy: -8.426
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -14.105
Dist. restrs. and SS energy: 0.402 (S_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: 200
Temperature: 1.250000
Total energy: -119.865505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.865505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.865505 (E_RNA)
where:
Base-Base interactions energy: -73.035
where: short stacking energy: -35.747
Base-Backbone interact. energy: -0.033
local terms energy: -46.796619
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -6.605
tors. eta vs tors. theta energy: 0.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -143.655351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.655351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.672963 (E_RNA)
where:
Base-Base interactions energy: -86.585
where: short stacking energy: -45.977
Base-Backbone interact. energy: -0.697
local terms energy: -56.391427
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -8.232
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -108.534776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.534776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.534776 (E_RNA)
where:
Base-Base interactions energy: -62.273
where: short stacking energy: -17.013
Base-Backbone interact. energy: 0.438
local terms energy: -46.699908
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: 3.018
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -213.354654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.354654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.745916 (E_RNA)
where:
Base-Base interactions energy: -132.135
where: short stacking energy: -83.491
Base-Backbone interact. energy: -0.015
local terms energy: -81.595654
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -18.048
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -21.282
Dist. restrs. and SS energy: 0.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -181.862822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.862822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.863254 (E_RNA)
where:
Base-Base interactions energy: -112.559
where: short stacking energy: -63.328
Base-Backbone interact. energy: -0.000
local terms energy: -69.303431
where:
bonds (distance) C4'-P energy: -12.661
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -16.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -186.921066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.921066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.921066 (E_RNA)
where:
Base-Base interactions energy: -107.614
where: short stacking energy: -59.757
Base-Backbone interact. energy: -0.001
local terms energy: -79.306636
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -18.278
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -16.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -174.401226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.401226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.549943 (E_RNA)
where:
Base-Base interactions energy: -107.258
where: short stacking energy: -54.695
Base-Backbone interact. energy: -0.009
local terms energy: -67.283002
where:
bonds (distance) C4'-P energy: -8.031
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -11.495
flat angles P-C4'-P energy: -15.363
tors. eta vs tors. theta energy: -17.887
Dist. restrs. and SS energy: 0.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -171.146936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.146936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.146936 (E_RNA)
where:
Base-Base interactions energy: -101.942
where: short stacking energy: -53.844
Base-Backbone interact. energy: -1.990
local terms energy: -67.215599
where:
bonds (distance) C4'-P energy: -9.409
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -15.178
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -174.792791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.792791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.824829 (E_RNA)
where:
Base-Base interactions energy: -108.693
where: short stacking energy: -63.050
Base-Backbone interact. energy: -0.069
local terms energy: -66.062783
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -15.140
Dist. restrs. and SS energy: 0.032 (S_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: 201
Temperature: 1.200000
Total energy: -144.597684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.597684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.660792 (E_RNA)
where:
Base-Base interactions energy: -81.728
where: short stacking energy: -39.127
Base-Backbone interact. energy: -0.199
local terms energy: -62.733873
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -7.343
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -11.828
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. 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: -142.414801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.414801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.414801 (E_RNA)
where:
Base-Base interactions energy: -82.682
where: short stacking energy: -41.567
Base-Backbone interact. energy: -0.216
local terms energy: -59.517192
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -13.404
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -6.366
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -140.470392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.470392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.605345 (E_RNA)
where:
Base-Base interactions energy: -83.189
where: short stacking energy: -42.291
Base-Backbone interact. energy: 0.990
local terms energy: -58.405995
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -5.285
tors. eta vs tors. theta energy: -8.067
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -116.034841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.034841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.034841 (E_RNA)
where:
Base-Base interactions energy: -62.206
where: short stacking energy: -31.019
Base-Backbone interact. energy: -0.080
local terms energy: -53.748262
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -11.720
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -6.549
tors. eta vs tors. theta energy: -8.510
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -184.490145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.490145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.490145 (E_RNA)
where:
Base-Base interactions energy: -103.325
where: short stacking energy: -65.287
Base-Backbone interact. energy: -0.002
local terms energy: -81.162393
where:
bonds (distance) C4'-P energy: -18.912
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -19.752
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -17.750
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: 202
Temperature: 0.950000
Total energy: -176.803851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.803851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.126037 (E_RNA)
where:
Base-Base interactions energy: -103.185
where: short stacking energy: -53.196
Base-Backbone interact. energy: 0.518
local terms energy: -74.458467
where:
bonds (distance) C4'-P energy: -16.908
bonds (distance) P-C4' energy: -17.760
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -12.699
Dist. restrs. and SS energy: 0.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -178.942000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.942000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.942000 (E_RNA)
where:
Base-Base interactions energy: -105.916
where: short stacking energy: -58.537
Base-Backbone interact. energy: -0.279
local terms energy: -72.747161
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -16.200
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -15.850
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -165.756958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.756958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.756958 (E_RNA)
where:
Base-Base interactions energy: -102.108
where: short stacking energy: -61.469
Base-Backbone interact. energy: 0.121
local terms energy: -63.770683
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -4.346
tors. eta vs tors. theta energy: -14.955
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: 5, replica: 7
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -166.728732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.728732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.870582 (E_RNA)
where:
Base-Base interactions energy: -90.189
where: short stacking energy: -56.228
Base-Backbone interact. energy: -0.029
local terms energy: -76.653117
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -16.512
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -15.014
Dist. restrs. and SS energy: 0.142 (S_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: 202
Temperature: 1.150000
Total energy: -159.164494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.164494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.464656 (E_RNA)
where:
Base-Base interactions energy: -96.240
where: short stacking energy: -56.270
Base-Backbone interact. energy: -0.084
local terms energy: -63.140604
where:
bonds (distance) C4'-P energy: -13.703
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -13.533
Dist. restrs. and SS energy: 0.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -165.384414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.384414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.409031 (E_RNA)
where:
Base-Base interactions energy: -100.917
where: short stacking energy: -53.439
Base-Backbone interact. energy: -0.053
local terms energy: -64.438668
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -13.730
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -136.592684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.592684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.805263 (E_RNA)
where:
Base-Base interactions energy: -75.494
where: short stacking energy: -39.004
Base-Backbone interact. energy: -0.226
local terms energy: -61.085252
where:
bonds (distance) C4'-P energy: -17.153
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -9.580
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -10.618
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -132.948784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.948784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.948784 (E_RNA)
where:
Base-Base interactions energy: -74.495
where: short stacking energy: -41.384
Base-Backbone interact. energy: -0.329
local terms energy: -58.124829
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -4.809
tors. eta vs tors. theta energy: -11.551
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -113.023129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.023129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.664312 (E_RNA)
where:
Base-Base interactions energy: -57.287
where: short stacking energy: -32.703
Base-Backbone interact. energy: -0.236
local terms energy: -56.142117
where:
bonds (distance) C4'-P energy: -9.522
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: -7.735
Dist. restrs. and SS energy: 0.641 (S_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: 203
Temperature: 0.900000
Total energy: -180.567542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.567542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.567542 (E_RNA)
where:
Base-Base interactions energy: -109.021
where: short stacking energy: -62.538
Base-Backbone interact. energy: -0.011
local terms energy: -71.535972
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -15.087
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: 9
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -185.597671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.597671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.597671 (E_RNA)
where:
Base-Base interactions energy: -109.453
where: short stacking energy: -73.321
Base-Backbone interact. energy: -0.002
local terms energy: -76.143208
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -12.001
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: 3, replica: 10
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -179.536101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.536101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.536101 (E_RNA)
where:
Base-Base interactions energy: -105.730
where: short stacking energy: -61.306
Base-Backbone interact. energy: -0.031
local terms energy: -73.774844
where:
bonds (distance) C4'-P energy: -11.109
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -17.917
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -175.329546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.329546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.582392 (E_RNA)
where:
Base-Base interactions energy: -101.856
where: short stacking energy: -52.289
Base-Backbone interact. energy: 0.115
local terms energy: -73.841122
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -15.213
tors. eta vs tors. theta energy: -13.825
Dist. restrs. and SS energy: 0.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -165.274712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.274712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.297824 (E_RNA)
where:
Base-Base interactions energy: -99.091
where: short stacking energy: -55.222
Base-Backbone interact. energy: -0.008
local terms energy: -66.198102
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -14.255
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -151.692974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.692974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.697760 (E_RNA)
where:
Base-Base interactions energy: -88.912
where: short stacking energy: -48.121
Base-Backbone interact. energy: -0.084
local terms energy: -62.702424
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -11.134
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -13.635
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -144.667817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.667817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.781458 (E_RNA)
where:
Base-Base interactions energy: -82.378
where: short stacking energy: -38.703
Base-Backbone interact. energy: -0.065
local terms energy: -62.338431
where:
bonds (distance) C4'-P energy: -11.729
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -6.145
tors. eta vs tors. theta energy: -12.687
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -140.046216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.046216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.076042 (E_RNA)
where:
Base-Base interactions energy: -80.725
where: short stacking energy: -42.505
Base-Backbone interact. energy: -0.039
local terms energy: -59.311725
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -9.038
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -136.524604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.524604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.524604 (E_RNA)
where:
Base-Base interactions energy: -85.884
where: short stacking energy: -48.866
Base-Backbone interact. energy: 0.479
local terms energy: -51.119440
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -9.723
flat angles P-C4'-P energy: -4.903
tors. eta vs tors. theta energy: -8.760
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -116.472163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.472163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.484831 (E_RNA)
where:
Base-Base interactions energy: -61.075
where: short stacking energy: -28.834
Base-Backbone interact. energy: -0.166
local terms energy: -55.243433
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -14.202
tors. eta vs tors. theta energy: -3.956
Dist. restrs. and SS energy: 0.013 (S_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: 204
Temperature: 0.900000
Total energy: -182.479324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.479324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.495451 (E_RNA)
where:
Base-Base interactions energy: -104.789
where: short stacking energy: -62.817
Base-Backbone interact. energy: -0.036
local terms energy: -77.670399
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -16.080
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -176.451882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.451882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.453868 (E_RNA)
where:
Base-Base interactions energy: -98.696
where: short stacking energy: -69.984
Base-Backbone interact. energy: -0.000
local terms energy: -77.757681
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -15.356
Dist. restrs. and SS energy: 0.002 (S_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: -178.247244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.247244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.648984 (E_RNA)
where:
Base-Base interactions energy: -102.921
where: short stacking energy: -49.293
Base-Backbone interact. energy: 0.146
local terms energy: -75.873310
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -17.419
flat angles C4'-P-C4' energy: -16.901
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -20.838
Dist. restrs. and SS energy: 0.402 (S_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: 204
Temperature: 1.050000
Total energy: -178.164418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.164418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.184864 (E_RNA)
where:
Base-Base interactions energy: -101.866
where: short stacking energy: -67.271
Base-Backbone interact. energy: -0.114
local terms energy: -76.204531
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -18.433
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -164.439046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.439046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.496292 (E_RNA)
where:
Base-Base interactions energy: -99.092
where: short stacking energy: -54.952
Base-Backbone interact. energy: -0.484
local terms energy: -64.919912
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -13.293
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -161.112276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.112276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.241948 (E_RNA)
where:
Base-Base interactions energy: -99.113
where: short stacking energy: -53.327
Base-Backbone interact. energy: -0.069
local terms energy: -62.060279
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -13.421
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -157.693384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.693384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.915527 (E_RNA)
where:
Base-Base interactions energy: -90.258
where: short stacking energy: -46.484
Base-Backbone interact. energy: -0.189
local terms energy: -67.468109
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -8.940
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -136.781679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.781679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.710452 (E_RNA)
where:
Base-Base interactions energy: -81.800
where: short stacking energy: -32.995
Base-Backbone interact. energy: -0.254
local terms energy: -55.656376
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -3.767
Dist. restrs. and SS energy: 0.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -127.190170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.190170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.299324 (E_RNA)
where:
Base-Base interactions energy: -72.425
where: short stacking energy: -42.818
Base-Backbone interact. energy: 0.102
local terms energy: -54.975578
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -9.678
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -3.652
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. 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: -120.637007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.637007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.483751 (E_RNA)
where:
Base-Base interactions energy: -64.862
where: short stacking energy: -37.927
Base-Backbone interact. energy: -0.220
local terms energy: -56.401533
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: -5.739
Dist. restrs. and SS energy: 0.847 (S_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: 205
Temperature: 0.900000
Total energy: -179.105324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.105324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.275233 (E_RNA)
where:
Base-Base interactions energy: -100.967
where: short stacking energy: -56.974
Base-Backbone interact. energy: -0.005
local terms energy: -78.302885
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -17.794
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -174.118703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.118703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.136273 (E_RNA)
where:
Base-Base interactions energy: -94.145
where: short stacking energy: -48.432
Base-Backbone interact. energy: -0.500
local terms energy: -79.491151
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -19.039
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -18.496
Dist. restrs. and SS energy: 0.018 (S_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: -180.560001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.560001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.560001 (E_RNA)
where:
Base-Base interactions energy: -105.814
where: short stacking energy: -62.820
Base-Backbone interact. energy: 0.235
local terms energy: -74.981225
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -19.367
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -17.079
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: 4, replica: 7
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -161.282520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.282520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.327879 (E_RNA)
where:
Base-Base interactions energy: -96.822
where: short stacking energy: -52.941
Base-Backbone interact. energy: -0.198
local terms energy: -64.307213
where:
bonds (distance) C4'-P energy: -10.082
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -10.230
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -165.702062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.702062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.891716 (E_RNA)
where:
Base-Base interactions energy: -95.874
where: short stacking energy: -52.276
Base-Backbone interact. energy: -0.488
local terms energy: -69.530160
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -13.974
Dist. restrs. and SS energy: 0.190 (S_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: 205
Temperature: 1.150000
Total energy: -172.879261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.879261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.917372 (E_RNA)
where:
Base-Base interactions energy: -105.344
where: short stacking energy: -54.360
Base-Backbone interact. energy: -0.114
local terms energy: -67.458506
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -9.826
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -17.648
Dist. restrs. and SS energy: 0.038 (S_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: 205
Temperature: 1.200000
Total energy: -156.855944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.855944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.855944 (E_RNA)
where:
Base-Base interactions energy: -88.724
where: short stacking energy: -43.178
Base-Backbone interact. energy: -0.115
local terms energy: -68.016739
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -10.292
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: 3
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -148.551845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.551845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.022334 (E_RNA)
where:
Base-Base interactions energy: -86.071
where: short stacking energy: -45.633
Base-Backbone interact. energy: -0.072
local terms energy: -62.879467
where:
bonds (distance) C4'-P energy: -9.734
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: -9.918
Dist. restrs. and SS energy: 0.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -138.836500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.836500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.964670 (E_RNA)
where:
Base-Base interactions energy: -79.102
where: short stacking energy: -32.479
Base-Backbone interact. energy: -0.493
local terms energy: -59.369847
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -4.009
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. 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: -136.004729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.004729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.553132 (E_RNA)
where:
Base-Base interactions energy: -84.114
where: short stacking energy: -47.679
Base-Backbone interact. energy: -0.209
local terms energy: -52.230526
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -10.569
flat angles P-C4'-P energy: -5.502
tors. eta vs tors. theta energy: -10.263
Dist. restrs. and SS energy: 0.548 (S_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: 206
Temperature: 0.900000
Total energy: -188.370011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.370011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.370011 (E_RNA)
where:
Base-Base interactions energy: -119.941
where: short stacking energy: -65.177
Base-Backbone interact. energy: 0.094
local terms energy: -68.522473
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -11.930
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -15.503
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -179.209246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.209246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.219180 (E_RNA)
where:
Base-Base interactions energy: -112.629
where: short stacking energy: -63.768
Base-Backbone interact. energy: -0.116
local terms energy: -66.474234
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: -15.408
Dist. restrs. and SS energy: 0.010 (S_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: -175.451533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.451533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.596590 (E_RNA)
where:
Base-Base interactions energy: -105.149
where: short stacking energy: -55.163
Base-Backbone interact. energy: -0.095
local terms energy: -70.351748
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -12.049
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -17.844
Dist. restrs. and SS energy: 0.145 (S_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: 206
Temperature: 1.050000
Total energy: -158.605759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.605759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.670587 (E_RNA)
where:
Base-Base interactions energy: -92.717
where: short stacking energy: -48.774
Base-Backbone interact. energy: -0.177
local terms energy: -65.776812
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -8.669
Dist. restrs. and SS energy: 0.065 (S_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: 206
Temperature: 1.100000
Total energy: -167.067503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.067503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.723574 (E_RNA)
where:
Base-Base interactions energy: -102.204
where: short stacking energy: -56.815
Base-Backbone interact. energy: -0.109
local terms energy: -65.410909
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -11.402
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -13.293
Dist. restrs. and SS energy: 0.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -142.251472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.251472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.275459 (E_RNA)
where:
Base-Base interactions energy: -72.393
where: short stacking energy: -42.335
Base-Backbone interact. energy: -0.118
local terms energy: -69.764650
where:
bonds (distance) C4'-P energy: -16.592
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -11.010
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -133.375278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.375278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.460988 (E_RNA)
where:
Base-Base interactions energy: -74.307
where: short stacking energy: -46.094
Base-Backbone interact. energy: -0.358
local terms energy: -58.796477
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -13.601
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -6.856
tors. eta vs tors. theta energy: -8.161
Dist. restrs. and SS energy: 0.086 (S_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: 206
Temperature: 1.250000
Total energy: -131.771836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.771836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.771836 (E_RNA)
where:
Base-Base interactions energy: -77.957
where: short stacking energy: -40.106
Base-Backbone interact. energy: -0.836
local terms energy: -52.978708
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -12.076
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -5.128
tors. eta vs tors. theta energy: -7.113
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: 9, replica: 4
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -126.109930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.109930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.109930 (E_RNA)
where:
Base-Base interactions energy: -79.464
where: short stacking energy: -40.888
Base-Backbone interact. energy: -0.173
local terms energy: -46.472753
where:
bonds (distance) C4'-P energy: -10.139
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -10.077
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -5.427
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: 10, replica: 1
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -130.369501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.369501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.369501 (E_RNA)
where:
Base-Base interactions energy: -77.410
where: short stacking energy: -38.457
Base-Backbone interact. energy: -0.236
local terms energy: -52.723884
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -11.292
flat angles C4'-P-C4' energy: -11.852
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -7.424
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -190.504027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.504027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.504703 (E_RNA)
where:
Base-Base interactions energy: -112.368
where: short stacking energy: -69.631
Base-Backbone interact. energy: -0.196
local terms energy: -77.941139
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -18.675
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -202.402365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.402365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.402365 (E_RNA)
where:
Base-Base interactions energy: -125.910
where: short stacking energy: -76.291
Base-Backbone interact. energy: -0.203
local terms energy: -76.289889
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -21.262
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -185.170877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.170877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.321440 (E_RNA)
where:
Base-Base interactions energy: -111.134
where: short stacking energy: -53.198
Base-Backbone interact. energy: -0.017
local terms energy: -74.170745
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -15.830
Dist. restrs. and SS energy: 0.151 (S_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: -176.788236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.788236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.041770 (E_RNA)
where:
Base-Base interactions energy: -108.617
where: short stacking energy: -61.653
Base-Backbone interact. energy: -0.168
local terms energy: -68.256482
where:
bonds (distance) C4'-P energy: -17.571
bonds (distance) P-C4' energy: -8.055
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: -16.155
Dist. restrs. and SS energy: 0.254 (S_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: 207
Temperature: 1.100000
Total energy: -149.203671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.203671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.204590 (E_RNA)
where:
Base-Base interactions energy: -84.649
where: short stacking energy: -48.000
Base-Backbone interact. energy: -0.095
local terms energy: -64.460791
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -17.855
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -12.738
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -163.593874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.593874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.593874 (E_RNA)
where:
Base-Base interactions energy: -98.465
where: short stacking energy: -49.490
Base-Backbone interact. energy: -0.191
local terms energy: -64.937481
where:
bonds (distance) C4'-P energy: -11.476
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -15.448
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: 7, replica: 8
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -150.338198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.338198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.389009 (E_RNA)
where:
Base-Base interactions energy: -87.019
where: short stacking energy: -44.974
Base-Backbone interact. energy: -0.031
local terms energy: -63.338519
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -9.179
Dist. restrs. and SS energy: 0.051 (S_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: 207
Temperature: 1.250000
Total energy: -141.295117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.295117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.351194 (E_RNA)
where:
Base-Base interactions energy: -80.240
where: short stacking energy: -33.295
Base-Backbone interact. energy: -0.048
local terms energy: -61.063377
where:
bonds (distance) C4'-P energy: -17.670
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -7.178
Dist. restrs. and SS energy: 0.056 (S_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: 207
Temperature: 1.300000
Total energy: -140.633705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.633705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.723303 (E_RNA)
where:
Base-Base interactions energy: -81.662
where: short stacking energy: -41.417
Base-Backbone interact. energy: -0.488
local terms energy: -58.573684
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -4.967
tors. eta vs tors. theta energy: -8.742
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -130.065102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.065102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.075147 (E_RNA)
where:
Base-Base interactions energy: -76.564
where: short stacking energy: -39.103
Base-Backbone interact. energy: -0.886
local terms energy: -52.625919
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -6.918
tors. eta vs tors. theta energy: -7.202
Dist. restrs. and SS energy: 0.010 (S_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: 208
Temperature: 0.900000
Total energy: -204.530115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.530115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.534881 (E_RNA)
where:
Base-Base interactions energy: -124.917
where: short stacking energy: -74.383
Base-Backbone interact. energy: -0.050
local terms energy: -79.568117
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -20.874
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -190.421758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.421758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.540013 (E_RNA)
where:
Base-Base interactions energy: -115.804
where: short stacking energy: -73.112
Base-Backbone interact. energy: -0.006
local terms energy: -74.729678
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -22.387
Dist. restrs. and SS energy: 0.118 (S_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: 208
Temperature: 1.000000
Total energy: -178.863400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.863400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.863400 (E_RNA)
where:
Base-Base interactions energy: -97.021
where: short stacking energy: -59.191
Base-Backbone interact. energy: -0.597
local terms energy: -81.244618
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -15.290
tors. eta vs tors. theta energy: -17.777
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -164.497779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.497779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.535876 (E_RNA)
where:
Base-Base interactions energy: -98.257
where: short stacking energy: -55.692
Base-Backbone interact. energy: -0.074
local terms energy: -66.205533
where:
bonds (distance) C4'-P energy: -11.728
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -17.974
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -13.419
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -172.749070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.749070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.759669 (E_RNA)
where:
Base-Base interactions energy: -106.776
where: short stacking energy: -51.755
Base-Backbone interact. energy: -0.613
local terms energy: -65.370037
where:
bonds (distance) C4'-P energy: -15.140
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -10.619
Dist. restrs. and SS energy: 0.011 (S_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: 208
Temperature: 1.150000
Total energy: -131.441637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.441637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.461593 (E_RNA)
where:
Base-Base interactions energy: -73.851
where: short stacking energy: -42.898
Base-Backbone interact. energy: -0.219
local terms energy: -57.391702
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -9.547
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -5.213
Dist. restrs. and SS energy: 0.020 (S_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: 208
Temperature: 1.200000
Total energy: -159.856528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.856528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.938647 (E_RNA)
where:
Base-Base interactions energy: -99.581
where: short stacking energy: -60.219
Base-Backbone interact. energy: -0.002
local terms energy: -60.355795
where:
bonds (distance) C4'-P energy: -11.020
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -9.797
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. 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: -154.048793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.048793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.078069 (E_RNA)
where:
Base-Base interactions energy: -91.670
where: short stacking energy: -48.027
Base-Backbone interact. energy: -0.117
local terms energy: -62.291155
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -9.889
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -148.511457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.511457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.511457 (E_RNA)
where:
Base-Base interactions energy: -96.528
where: short stacking energy: -49.567
Base-Backbone interact. energy: -0.289
local terms energy: -51.693981
where:
bonds (distance) C4'-P energy: -10.574
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -8.256
flat angles P-C4'-P energy: -7.806
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: 4
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -126.781609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.781609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.821439 (E_RNA)
where:
Base-Base interactions energy: -77.007
where: short stacking energy: -37.851
Base-Backbone interact. energy: -0.145
local terms energy: -49.669078
where:
bonds (distance) C4'-P energy: -12.598
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -4.183
tors. eta vs tors. theta energy: -3.921
Dist. restrs. and SS energy: 0.040 (S_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: 209
Temperature: 0.900000
Total energy: -202.260433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.260433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.271247 (E_RNA)
where:
Base-Base interactions energy: -122.713
where: short stacking energy: -78.182
Base-Backbone interact. energy: -1.043
local terms energy: -78.515634
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -15.012
tors. eta vs tors. theta energy: -19.687
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -179.479437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.479437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.526925 (E_RNA)
where:
Base-Base interactions energy: -96.651
where: short stacking energy: -56.847
Base-Backbone interact. energy: -0.238
local terms energy: -82.637085
where:
bonds (distance) C4'-P energy: -17.587
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -17.355
flat angles P-C4'-P energy: -15.220
tors. eta vs tors. theta energy: -16.315
Dist. restrs. and SS energy: 0.047 (S_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: 209
Temperature: 1.000000
Total energy: -190.818466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.818466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.185200 (E_RNA)
where:
Base-Base interactions energy: -116.681
where: short stacking energy: -72.142
Base-Backbone interact. energy: -0.756
local terms energy: -73.748342
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -11.996
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -20.747
Dist. restrs. and SS energy: 0.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -178.049502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.049502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.063770 (E_RNA)
where:
Base-Base interactions energy: -101.189
where: short stacking energy: -58.303
Base-Backbone interact. energy: -0.907
local terms energy: -75.967324
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -17.294
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -170.009883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.009883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.040355 (E_RNA)
where:
Base-Base interactions energy: -105.884
where: short stacking energy: -58.526
Base-Backbone interact. energy: -0.449
local terms energy: -63.706674
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -5.994
tors. eta vs tors. theta energy: -17.042
Dist. restrs. and SS energy: 0.030 (S_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: 209
Temperature: 1.150000
Total energy: -145.939341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.939341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.190972 (E_RNA)
where:
Base-Base interactions energy: -89.051
where: short stacking energy: -47.874
Base-Backbone interact. energy: -2.349
local terms energy: -54.790820
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -10.848
flat angles C4'-P-C4' energy: -10.212
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -7.113
Dist. restrs. and SS energy: 0.252 (S_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: 209
Temperature: 1.200000
Total energy: -127.387718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.387718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.387718 (E_RNA)
where:
Base-Base interactions energy: -69.583
where: short stacking energy: -37.151
Base-Backbone interact. energy: -0.108
local terms energy: -57.697246
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -11.151
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -6.023
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -137.830299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.830299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.036247 (E_RNA)
where:
Base-Base interactions energy: -80.087
where: short stacking energy: -45.555
Base-Backbone interact. energy: -0.087
local terms energy: -57.862724
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -10.972
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -9.053
Dist. restrs. and SS energy: 0.206 (S_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: 209
Temperature: 1.300000
Total energy: -138.872541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.872541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.879147 (E_RNA)
where:
Base-Base interactions energy: -78.259
where: short stacking energy: -39.595
Base-Backbone interact. energy: -0.386
local terms energy: -60.234256
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -6.651
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. 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: -119.956615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.956615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.956615 (E_RNA)
where:
Base-Base interactions energy: -73.130
where: short stacking energy: -41.918
Base-Backbone interact. energy: -0.236
local terms energy: -46.589766
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -11.554
flat angles C4'-P-C4' energy: -11.319
flat angles P-C4'-P energy: -5.389
tors. eta vs tors. theta energy: -7.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -195.618550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.618550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.281208 (E_RNA)
where:
Base-Base interactions energy: -125.052
where: short stacking energy: -65.687
Base-Backbone interact. energy: -0.052
local terms energy: -71.177204
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -5.160
tors. eta vs tors. theta energy: -19.248
Dist. restrs. and SS energy: 0.663 (S_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: 210
Temperature: 0.950000
Total energy: -191.247677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.247677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.351423 (E_RNA)
where:
Base-Base interactions energy: -125.865
where: short stacking energy: -72.483
Base-Backbone interact. energy: -0.009
local terms energy: -65.477417
where:
bonds (distance) C4'-P energy: -5.557
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -19.171
Dist. restrs. and SS energy: 0.104 (S_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: 210
Temperature: 1.000000
Total energy: -177.452974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.452974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.877231 (E_RNA)
where:
Base-Base interactions energy: -104.991
where: short stacking energy: -63.842
Base-Backbone interact. energy: -0.097
local terms energy: -72.788909
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -17.043
Dist. restrs. and SS energy: 0.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -157.369061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.369061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.703832 (E_RNA)
where:
Base-Base interactions energy: -97.056
where: short stacking energy: -48.867
Base-Backbone interact. energy: -0.082
local terms energy: -60.565665
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -16.359
flat angles C4'-P-C4' energy: -9.862
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -11.577
Dist. restrs. and SS energy: 0.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -165.344673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.344673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.394177 (E_RNA)
where:
Base-Base interactions energy: -101.470
where: short stacking energy: -58.923
Base-Backbone interact. energy: -0.052
local terms energy: -63.871776
where:
bonds (distance) C4'-P energy: -9.650
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -12.796
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -163.843596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.843596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.929553 (E_RNA)
where:
Base-Base interactions energy: -91.338
where: short stacking energy: -49.334
Base-Backbone interact. energy: -0.286
local terms energy: -72.305856
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -12.527
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -13.069
tors. eta vs tors. theta energy: -19.707
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -155.350212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.350212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.457920 (E_RNA)
where:
Base-Base interactions energy: -89.286
where: short stacking energy: -45.047
Base-Backbone interact. energy: -0.135
local terms energy: -66.036791
where:
bonds (distance) C4'-P energy: -10.499
bonds (distance) P-C4' energy: -14.178
flat angles C4'-P-C4' energy: -18.755
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -12.172
Dist. restrs. and SS energy: 0.108 (S_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: 210
Temperature: 1.250000
Total energy: -138.681103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.681103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.747445 (E_RNA)
where:
Base-Base interactions energy: -76.256
where: short stacking energy: -43.792
Base-Backbone interact. energy: -0.067
local terms energy: -62.424149
where:
bonds (distance) C4'-P energy: -9.627
bonds (distance) P-C4' energy: -15.450
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -9.435
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -156.210319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.210319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.054419 (E_RNA)
where:
Base-Base interactions energy: -88.497
where: short stacking energy: -48.114
Base-Backbone interact. energy: -0.221
local terms energy: -68.336197
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -13.961
Dist. restrs. and SS energy: 0.844 (S_DIST_RNA)
chem. 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: -126.462327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.462327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.510687 (E_RNA)
where:
Base-Base interactions energy: -79.171
where: short stacking energy: -41.893
Base-Backbone interact. energy: -0.034
local terms energy: -47.305502
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -11.156
flat angles C4'-P-C4' energy: -9.565
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -4.497
Dist. restrs. and SS energy: 0.048 (S_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: 211
Temperature: 0.900000
Total energy: -194.571293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.571293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.571293 (E_RNA)
where:
Base-Base interactions energy: -116.050
where: short stacking energy: -65.027
Base-Backbone interact. energy: -0.834
local terms energy: -77.687169
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -18.537
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -18.848
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: 6
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -200.085715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.085715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.085715 (E_RNA)
where:
Base-Base interactions energy: -126.535
where: short stacking energy: -69.181
Base-Backbone interact. energy: -0.073
local terms energy: -73.476942
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -17.498
flat angles P-C4'-P energy: -5.736
tors. eta vs tors. theta energy: -20.819
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -173.075981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.075981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.577732 (E_RNA)
where:
Base-Base interactions energy: -93.952
where: short stacking energy: -54.528
Base-Backbone interact. energy: 0.846
local terms energy: -80.471675
where:
bonds (distance) C4'-P energy: -18.647
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -15.737
Dist. restrs. and SS energy: 0.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -178.995898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.995898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.164163 (E_RNA)
where:
Base-Base interactions energy: -106.521
where: short stacking energy: -69.029
Base-Backbone interact. energy: -0.001
local terms energy: -72.642242
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -18.046
Dist. restrs. and SS energy: 0.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -165.629945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.629945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.629945 (E_RNA)
where:
Base-Base interactions energy: -93.885
where: short stacking energy: -53.127
Base-Backbone interact. energy: -0.082
local terms energy: -71.663359
where:
bonds (distance) C4'-P energy: -16.514
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -18.559
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -10.458
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: 1
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -156.355018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.355018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.701118 (E_RNA)
where:
Base-Base interactions energy: -94.112
where: short stacking energy: -52.136
Base-Backbone interact. energy: -0.079
local terms energy: -62.510039
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -11.176
Dist. restrs. and SS energy: 0.346 (S_DIST_RNA)
chem. 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: -126.819586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.819586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.819586 (E_RNA)
where:
Base-Base interactions energy: -72.224
where: short stacking energy: -36.583
Base-Backbone interact. energy: -0.306
local terms energy: -54.289693
where:
bonds (distance) C4'-P energy: -9.763
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -5.251
tors. eta vs tors. theta energy: -8.065
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: 211
Temperature: 1.250000
Total energy: -139.377236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.377236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.377236 (E_RNA)
where:
Base-Base interactions energy: -77.597
where: short stacking energy: -43.528
Base-Backbone interact. energy: -0.127
local terms energy: -61.653454
where:
bonds (distance) C4'-P energy: -10.052
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -9.951
flat angles P-C4'-P energy: -14.705
tors. eta vs tors. theta energy: -8.917
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -137.389117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.389117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.421942 (E_RNA)
where:
Base-Base interactions energy: -80.795
where: short stacking energy: -43.440
Base-Backbone interact. energy: -0.139
local terms energy: -56.488299
where:
bonds (distance) C4'-P energy: -14.109
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: -6.503
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. 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: -133.957485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.957485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.232140 (E_RNA)
where:
Base-Base interactions energy: -81.660
where: short stacking energy: -41.360
Base-Backbone interact. energy: -0.303
local terms energy: -52.269550
where:
bonds (distance) C4'-P energy: -8.951
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -8.812
flat angles P-C4'-P energy: -5.822
tors. eta vs tors. theta energy: -10.845
Dist. restrs. and SS energy: 0.275 (S_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: 212
Temperature: 0.900000
Total energy: -196.339300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.339300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.339300 (E_RNA)
where:
Base-Base interactions energy: -114.769
where: short stacking energy: -71.714
Base-Backbone interact. energy: -0.027
local terms energy: -81.543742
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -18.299
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -20.877
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: 6
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -181.898764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.898764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.898764 (E_RNA)
where:
Base-Base interactions energy: -109.374
where: short stacking energy: -67.564
Base-Backbone interact. energy: 1.185
local terms energy: -73.709507
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -17.900
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -193.075337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.075337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.075337 (E_RNA)
where:
Base-Base interactions energy: -117.191
where: short stacking energy: -80.851
Base-Backbone interact. energy: -0.002
local terms energy: -75.881955
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -23.257
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: 5
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -175.475528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.475528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.515253 (E_RNA)
where:
Base-Base interactions energy: -100.952
where: short stacking energy: -63.885
Base-Backbone interact. energy: -0.648
local terms energy: -73.915233
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -14.652
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -16.685
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. 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: -157.675536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.675536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.681258 (E_RNA)
where:
Base-Base interactions energy: -93.462
where: short stacking energy: -52.527
Base-Backbone interact. energy: -0.001
local terms energy: -64.218177
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -5.180
tors. eta vs tors. theta energy: -13.129
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -165.312010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.312010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.818163 (E_RNA)
where:
Base-Base interactions energy: -93.667
where: short stacking energy: -53.680
Base-Backbone interact. energy: -0.003
local terms energy: -72.148126
where:
bonds (distance) C4'-P energy: -9.316
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -18.448
flat angles P-C4'-P energy: -12.794
tors. eta vs tors. theta energy: -19.703
Dist. restrs. and SS energy: 0.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -153.006931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.006931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.099010 (E_RNA)
where:
Base-Base interactions energy: -90.640
where: short stacking energy: -48.544
Base-Backbone interact. energy: -0.104
local terms energy: -62.354320
where:
bonds (distance) C4'-P energy: -10.414
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -7.042
tors. eta vs tors. theta energy: -13.986
Dist. restrs. and SS energy: 0.092 (S_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: 212
Temperature: 1.250000
Total energy: -129.921598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.921598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.921598 (E_RNA)
where:
Base-Base interactions energy: -71.996
where: short stacking energy: -29.432
Base-Backbone interact. energy: 2.150
local terms energy: -60.075040
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -1.189
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -122.200128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.200128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.217879 (E_RNA)
where:
Base-Base interactions energy: -69.945
where: short stacking energy: -38.152
Base-Backbone interact. energy: -0.710
local terms energy: -51.563344
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -10.472
flat angles C4'-P-C4' energy: -11.309
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -7.485
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. 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: -114.066634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.066634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.153608 (E_RNA)
where:
Base-Base interactions energy: -61.668
where: short stacking energy: -30.143
Base-Backbone interact. energy: -0.232
local terms energy: -52.253950
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -2.385
Dist. restrs. and SS energy: 0.087 (S_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: 213
Temperature: 0.900000
Total energy: -192.277119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.277119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.286748 (E_RNA)
where:
Base-Base interactions energy: -116.250
where: short stacking energy: -66.248
Base-Backbone interact. energy: -0.000
local terms energy: -76.036862
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -13.406
tors. eta vs tors. theta energy: -18.008
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -194.100539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.100539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.410642 (E_RNA)
where:
Base-Base interactions energy: -119.885
where: short stacking energy: -70.336
Base-Backbone interact. energy: -0.013
local terms energy: -74.513157
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -18.979
Dist. restrs. and SS energy: 0.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -170.811622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.811622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.837364 (E_RNA)
where:
Base-Base interactions energy: -91.518
where: short stacking energy: -56.096
Base-Backbone interact. energy: 1.017
local terms energy: -80.336258
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -16.200
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -19.604
Dist. restrs. and SS energy: 0.026 (S_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: -170.921088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.921088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.373041 (E_RNA)
where:
Base-Base interactions energy: -105.460
where: short stacking energy: -59.193
Base-Backbone interact. energy: -0.579
local terms energy: -65.334020
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -12.315
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -17.795
Dist. restrs. and SS energy: 0.452 (S_DIST_RNA)
chem. 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: -159.670866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.670866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.311995 (E_RNA)
where:
Base-Base interactions energy: -90.386
where: short stacking energy: -49.866
Base-Backbone interact. energy: -0.165
local terms energy: -69.761187
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -10.676
Dist. restrs. and SS energy: 0.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -147.051995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.051995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.051995 (E_RNA)
where:
Base-Base interactions energy: -87.102
where: short stacking energy: -42.303
Base-Backbone interact. energy: -0.280
local terms energy: -59.669225
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -8.827
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: 3
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -161.494130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.494130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.670556 (E_RNA)
where:
Base-Base interactions energy: -95.974
where: short stacking energy: -44.871
Base-Backbone interact. energy: -0.703
local terms energy: -64.993140
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -3.823
Dist. restrs. and SS energy: 0.176 (S_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: 213
Temperature: 1.250000
Total energy: -128.201765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.201765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.364536 (E_RNA)
where:
Base-Base interactions energy: -79.063
where: short stacking energy: -40.847
Base-Backbone interact. energy: -0.180
local terms energy: -50.121238
where:
bonds (distance) C4'-P energy: -11.554
bonds (distance) P-C4' energy: -14.928
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -4.441
tors. eta vs tors. theta energy: -5.696
Dist. restrs. and SS energy: 1.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -128.282970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.282970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.337198 (E_RNA)
where:
Base-Base interactions energy: -81.213
where: short stacking energy: -49.900
Base-Backbone interact. energy: -0.196
local terms energy: -46.928111
where:
bonds (distance) C4'-P energy: -9.352
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -8.483
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -9.392
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. 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: -124.065994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.065994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.098562 (E_RNA)
where:
Base-Base interactions energy: -70.075
where: short stacking energy: -40.548
Base-Backbone interact. energy: -0.002
local terms energy: -54.021771
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -9.151
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -10.032
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -208.250741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.250741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.579890 (E_RNA)
where:
Base-Base interactions energy: -128.124
where: short stacking energy: -81.095
Base-Backbone interact. energy: -0.551
local terms energy: -79.904374
where:
bonds (distance) C4'-P energy: -16.982
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -14.192
tors. eta vs tors. theta energy: -19.580
Dist. restrs. and SS energy: 0.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -194.188402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.188402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.236899 (E_RNA)
where:
Base-Base interactions energy: -118.286
where: short stacking energy: -69.059
Base-Backbone interact. energy: -0.015
local terms energy: -75.935716
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -17.026
Dist. restrs. and SS energy: 0.048 (S_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: 214
Temperature: 1.000000
Total energy: -185.511257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.511257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.539738 (E_RNA)
where:
Base-Base interactions energy: -111.029
where: short stacking energy: -58.840
Base-Backbone interact. energy: -0.018
local terms energy: -74.491878
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -14.360
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -163.695469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.695469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.800744 (E_RNA)
where:
Base-Base interactions energy: -94.039
where: short stacking energy: -47.892
Base-Backbone interact. energy: -0.028
local terms energy: -69.733835
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -11.353
flat angles C4'-P-C4' energy: -18.127
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -10.302
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -148.100004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.100004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.100004 (E_RNA)
where:
Base-Base interactions energy: -90.511
where: short stacking energy: -49.858
Base-Backbone interact. energy: -0.324
local terms energy: -57.265101
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -7.152
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -13.608
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -156.863202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.863202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.513610 (E_RNA)
where:
Base-Base interactions energy: -98.161
where: short stacking energy: -53.266
Base-Backbone interact. energy: -0.223
local terms energy: -59.129459
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -11.822
flat angles C4'-P-C4' energy: -11.864
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -13.063
Dist. restrs. and SS energy: 0.650 (S_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: 214
Temperature: 1.200000
Total energy: -160.098901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.098901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.233662 (E_RNA)
where:
Base-Base interactions energy: -94.881
where: short stacking energy: -50.574
Base-Backbone interact. energy: 1.231
local terms energy: -66.583323
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -17.811
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -9.813
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -128.321079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.321079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.321079 (E_RNA)
where:
Base-Base interactions energy: -74.132
where: short stacking energy: -37.564
Base-Backbone interact. energy: -0.158
local terms energy: -54.031140
where:
bonds (distance) C4'-P energy: -8.907
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: -9.361
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: 9, replica: 4
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -99.639145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.639145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.228532 (E_RNA)
where:
Base-Base interactions energy: -44.802
where: short stacking energy: -42.775
Base-Backbone interact. energy: -0.715
local terms energy: -56.711549
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -14.027
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -5.609
Dist. restrs. and SS energy: 2.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -120.192588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.192588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.242965 (E_RNA)
where:
Base-Base interactions energy: -64.748
where: short stacking energy: -35.473
Base-Backbone interact. energy: 0.549
local terms energy: -56.043323
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -2.518
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -201.513404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.513404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.654900 (E_RNA)
where:
Base-Base interactions energy: -114.214
where: short stacking energy: -61.951
Base-Backbone interact. energy: -0.497
local terms energy: -86.943631
where:
bonds (distance) C4'-P energy: -17.864
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -19.479
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -21.832
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -180.658254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.658254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.713090 (E_RNA)
where:
Base-Base interactions energy: -106.081
where: short stacking energy: -57.836
Base-Backbone interact. energy: -0.405
local terms energy: -74.227572
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -17.532
Dist. restrs. and SS energy: 0.055 (S_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: -176.846626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.846626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.852190 (E_RNA)
where:
Base-Base interactions energy: -99.431
where: short stacking energy: -55.177
Base-Backbone interact. energy: -1.246
local terms energy: -76.175168
where:
bonds (distance) C4'-P energy: -16.585
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -18.080
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -15.804
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -185.574599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.574599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.058701 (E_RNA)
where:
Base-Base interactions energy: -105.616
where: short stacking energy: -57.789
Base-Backbone interact. energy: -0.772
local terms energy: -79.671098
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -20.389
Dist. restrs. and SS energy: 0.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -158.027464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.027464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.137537 (E_RNA)
where:
Base-Base interactions energy: -89.756
where: short stacking energy: -41.466
Base-Backbone interact. energy: -0.057
local terms energy: -68.324244
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -8.180
Dist. restrs. and SS energy: 0.110 (S_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: 215
Temperature: 1.150000
Total energy: -158.205203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.205203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.226199 (E_RNA)
where:
Base-Base interactions energy: -91.105
where: short stacking energy: -61.230
Base-Backbone interact. energy: -0.003
local terms energy: -67.117259
where:
bonds (distance) C4'-P energy: -16.174
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -11.227
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -157.188367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.188367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.188367 (E_RNA)
where:
Base-Base interactions energy: -91.097
where: short stacking energy: -49.530
Base-Backbone interact. energy: -0.447
local terms energy: -65.644208
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -10.990
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -12.821
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -135.227286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.227286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.247274 (E_RNA)
where:
Base-Base interactions energy: -68.592
where: short stacking energy: -37.468
Base-Backbone interact. energy: -0.096
local terms energy: -66.559279
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -16.278
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -6.995
Dist. restrs. and SS energy: 0.020 (S_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: 215
Temperature: 1.300000
Total energy: -98.913104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.913104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.306778 (E_RNA)
where:
Base-Base interactions energy: -51.536
where: short stacking energy: -24.256
Base-Backbone interact. energy: 0.193
local terms energy: -49.964016
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -4.431
tors. eta vs tors. theta energy: -3.527
Dist. restrs. and SS energy: 2.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -90.044570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.044570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.070384 (E_RNA)
where:
Base-Base interactions energy: -41.393
where: short stacking energy: -16.448
Base-Backbone interact. energy: -0.519
local terms energy: -48.159302
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -6.989
tors. eta vs tors. theta energy: 2.146
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -202.940783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.940783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.399037 (E_RNA)
where:
Base-Base interactions energy: -126.917
where: short stacking energy: -73.184
Base-Backbone interact. energy: -0.013
local terms energy: -76.469029
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -22.299
Dist. restrs. and SS energy: 0.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -195.399353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.399353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.601200 (E_RNA)
where:
Base-Base interactions energy: -112.970
where: short stacking energy: -66.720
Base-Backbone interact. energy: -0.012
local terms energy: -82.619205
where:
bonds (distance) C4'-P energy: -17.509
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -23.225
Dist. restrs. and SS energy: 0.202 (S_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: 216
Temperature: 1.000000
Total energy: -184.244501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.244501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.879789 (E_RNA)
where:
Base-Base interactions energy: -104.301
where: short stacking energy: -59.040
Base-Backbone interact. energy: -0.139
local terms energy: -80.439602
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -17.984
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -18.342
Dist. restrs. and SS energy: 0.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -169.665490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.665490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.665490 (E_RNA)
where:
Base-Base interactions energy: -96.280
where: short stacking energy: -54.375
Base-Backbone interact. energy: -0.175
local terms energy: -73.210911
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -17.117
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -15.012
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: 8
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -167.155814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.155814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.395657 (E_RNA)
where:
Base-Base interactions energy: -97.282
where: short stacking energy: -49.972
Base-Backbone interact. energy: 0.660
local terms energy: -70.773339
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -18.027
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -9.222
Dist. restrs. and SS energy: 0.240 (S_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: 216
Temperature: 1.150000
Total energy: -167.844017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.844017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.361416 (E_RNA)
where:
Base-Base interactions energy: -103.536
where: short stacking energy: -61.401
Base-Backbone interact. energy: -0.251
local terms energy: -64.574411
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -10.657
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -13.569
Dist. restrs. and SS energy: 0.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -139.176316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.176316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.176316 (E_RNA)
where:
Base-Base interactions energy: -78.756
where: short stacking energy: -40.161
Base-Backbone interact. energy: -0.470
local terms energy: -59.950509
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -9.103
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -134.894981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.894981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.894981 (E_RNA)
where:
Base-Base interactions energy: -70.737
where: short stacking energy: -39.814
Base-Backbone interact. energy: -0.114
local terms energy: -64.043367
where:
bonds (distance) C4'-P energy: -12.582
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -18.246
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -9.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -138.546610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.546610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.967173 (E_RNA)
where:
Base-Base interactions energy: -84.993
where: short stacking energy: -40.026
Base-Backbone interact. energy: 0.220
local terms energy: -58.193830
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -9.194
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -9.940
Dist. restrs. and SS energy: 4.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -140.000858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.000858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.000858 (E_RNA)
where:
Base-Base interactions energy: -88.454
where: short stacking energy: -35.810
Base-Backbone interact. energy: -0.803
local terms energy: -50.743870
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -8.348
flat angles C4'-P-C4' energy: -8.401
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -11.378
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -199.092440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.092440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.473469 (E_RNA)
where:
Base-Base interactions energy: -121.666
where: short stacking energy: -69.164
Base-Backbone interact. energy: -0.287
local terms energy: -77.519939
where:
bonds (distance) C4'-P energy: -17.197
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -17.894
Dist. restrs. and SS energy: 0.381 (S_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: 217
Temperature: 0.950000
Total energy: -198.503390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.503390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.528446 (E_RNA)
where:
Base-Base interactions energy: -126.153
where: short stacking energy: -70.538
Base-Backbone interact. energy: -0.082
local terms energy: -72.293623
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -18.956
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -180.061911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.061911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.575519 (E_RNA)
where:
Base-Base interactions energy: -104.120
where: short stacking energy: -56.059
Base-Backbone interact. energy: -0.001
local terms energy: -76.454864
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -16.123
Dist. restrs. and SS energy: 0.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -163.670054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.670054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.711980 (E_RNA)
where:
Base-Base interactions energy: -97.944
where: short stacking energy: -48.420
Base-Backbone interact. energy: -0.233
local terms energy: -65.535429
where:
bonds (distance) C4'-P energy: -14.556
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -3.584
tors. eta vs tors. theta energy: -16.410
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -153.776942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.776942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.776942 (E_RNA)
where:
Base-Base interactions energy: -84.660
where: short stacking energy: -49.226
Base-Backbone interact. energy: -0.015
local terms energy: -69.102059
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -18.234
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -5.600
tors. eta vs tors. theta energy: -16.229
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: 217
Temperature: 1.150000
Total energy: -144.949991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.949991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.949991 (E_RNA)
where:
Base-Base interactions energy: -76.559
where: short stacking energy: -40.535
Base-Backbone interact. energy: -0.245
local terms energy: -68.145960
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -11.428
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -152.506211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.506211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.686292 (E_RNA)
where:
Base-Base interactions energy: -89.959
where: short stacking energy: -38.341
Base-Backbone interact. energy: -0.910
local terms energy: -61.817228
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -19.427
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -2.968
Dist. restrs. and SS energy: 0.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -144.275096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.275096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.522424 (E_RNA)
where:
Base-Base interactions energy: -86.753
where: short stacking energy: -49.845
Base-Backbone interact. energy: -0.004
local terms energy: -61.765844
where:
bonds (distance) C4'-P energy: -14.652
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -11.743
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -12.297
Dist. restrs. and SS energy: 4.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -125.449490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.449490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.449490 (E_RNA)
where:
Base-Base interactions energy: -73.067
where: short stacking energy: -31.272
Base-Backbone interact. energy: -0.594
local terms energy: -51.788178
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -9.167
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -1.964
tors. eta vs tors. theta energy: -11.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -126.677372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.677372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.749184 (E_RNA)
where:
Base-Base interactions energy: -71.134
where: short stacking energy: -38.439
Base-Backbone interact. energy: -0.381
local terms energy: -55.234380
where:
bonds (distance) C4'-P energy: -9.766
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -6.344
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -199.593100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.593100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.604710 (E_RNA)
where:
Base-Base interactions energy: -119.220
where: short stacking energy: -70.072
Base-Backbone interact. energy: -0.031
local terms energy: -80.353995
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -20.459
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -192.705212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.705212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.761472 (E_RNA)
where:
Base-Base interactions energy: -112.471
where: short stacking energy: -62.577
Base-Backbone interact. energy: -1.083
local terms energy: -79.207954
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -20.698
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -174.844121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.844121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.844121 (E_RNA)
where:
Base-Base interactions energy: -105.557
where: short stacking energy: -57.995
Base-Backbone interact. energy: -0.016
local terms energy: -69.271889
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -3.786
tors. eta vs tors. theta energy: -16.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -172.215288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.215288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.545470 (E_RNA)
where:
Base-Base interactions energy: -105.537
where: short stacking energy: -57.493
Base-Backbone interact. energy: -0.589
local terms energy: -66.419686
where:
bonds (distance) C4'-P energy: -9.713
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -15.296
Dist. restrs. and SS energy: 0.330 (S_DIST_RNA)
chem. 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: -157.097190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.097190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.117957 (E_RNA)
where:
Base-Base interactions energy: -100.763
where: short stacking energy: -49.544
Base-Backbone interact. energy: -0.029
local terms energy: -56.325836
where:
bonds (distance) C4'-P energy: -10.202
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -9.216
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -7.272
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -146.472034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.472034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.472034 (E_RNA)
where:
Base-Base interactions energy: -81.918
where: short stacking energy: -50.554
Base-Backbone interact. energy: -0.055
local terms energy: -64.498918
where:
bonds (distance) C4'-P energy: -17.119
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -9.954
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -12.241
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -146.143094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.143094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.541353 (E_RNA)
where:
Base-Base interactions energy: -85.622
where: short stacking energy: -50.200
Base-Backbone interact. energy: -0.068
local terms energy: -64.851057
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -11.168
Dist. restrs. and SS energy: 4.398 (S_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: 218
Temperature: 1.250000
Total energy: -126.297646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.297646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.297646 (E_RNA)
where:
Base-Base interactions energy: -77.830
where: short stacking energy: -40.319
Base-Backbone interact. energy: -0.150
local terms energy: -48.317437
where:
bonds (distance) C4'-P energy: -13.037
bonds (distance) P-C4' energy: -10.027
flat angles C4'-P-C4' energy: -18.373
flat angles P-C4'-P energy: -2.198
tors. eta vs tors. theta energy: -4.682
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: 9
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -119.591709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.591709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.591709 (E_RNA)
where:
Base-Base interactions energy: -74.957
where: short stacking energy: -43.903
Base-Backbone interact. energy: 0.547
local terms energy: -45.181216
where:
bonds (distance) C4'-P energy: -6.982
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -8.227
flat angles P-C4'-P energy: -6.041
tors. eta vs tors. theta energy: -6.976
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -116.802751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.802751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.007137 (E_RNA)
where:
Base-Base interactions energy: -67.871
where: short stacking energy: -31.529
Base-Backbone interact. energy: -0.611
local terms energy: -48.525644
where:
bonds (distance) C4'-P energy: -16.112
bonds (distance) P-C4' energy: -11.511
flat angles C4'-P-C4' energy: -6.884
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -6.122
Dist. restrs. and SS energy: 0.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -194.699463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.699463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.699463 (E_RNA)
where:
Base-Base interactions energy: -118.884
where: short stacking energy: -67.009
Base-Backbone interact. energy: 0.029
local terms energy: -75.844933
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -18.141
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -16.875
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -195.461885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.461885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.724336 (E_RNA)
where:
Base-Base interactions energy: -116.191
where: short stacking energy: -74.814
Base-Backbone interact. energy: -0.041
local terms energy: -79.492275
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -18.678
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -20.767
Dist. restrs. and SS energy: 0.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -187.050389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.050389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.333178 (E_RNA)
where:
Base-Base interactions energy: -112.353
where: short stacking energy: -65.507
Base-Backbone interact. energy: -0.010
local terms energy: -74.969975
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -19.182
Dist. restrs. and SS energy: 0.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -181.428245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.428245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.479580 (E_RNA)
where:
Base-Base interactions energy: -108.684
where: short stacking energy: -58.648
Base-Backbone interact. energy: 0.158
local terms energy: -72.953101
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -16.043
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. 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: -149.836512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.836512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.836512 (E_RNA)
where:
Base-Base interactions energy: -84.802
where: short stacking energy: -54.255
Base-Backbone interact. energy: 1.182
local terms energy: -66.215788
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -13.205
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: 6, replica: 4
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -146.865476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.865476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.695661 (E_RNA)
where:
Base-Base interactions energy: -97.297
where: short stacking energy: -56.778
Base-Backbone interact. energy: -0.022
local terms energy: -54.376900
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -9.210
Dist. restrs. and SS energy: 4.830 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -147.835326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.835326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.874183 (E_RNA)
where:
Base-Base interactions energy: -90.141
where: short stacking energy: -49.882
Base-Backbone interact. energy: -0.259
local terms energy: -57.474426
where:
bonds (distance) C4'-P energy: -9.659
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -9.071
Dist. restrs. and SS energy: 0.039 (S_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: 219
Temperature: 1.250000
Total energy: -132.839095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.839095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.845242 (E_RNA)
where:
Base-Base interactions energy: -71.377
where: short stacking energy: -33.190
Base-Backbone interact. energy: -0.455
local terms energy: -61.013618
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -4.957
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -130.041469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.041469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.399456 (E_RNA)
where:
Base-Base interactions energy: -73.285
where: short stacking energy: -41.514
Base-Backbone interact. energy: -0.738
local terms energy: -56.376267
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -6.533
Dist. restrs. and SS energy: 0.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -128.492936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.492936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.635520 (E_RNA)
where:
Base-Base interactions energy: -70.294
where: short stacking energy: -43.240
Base-Backbone interact. energy: -0.163
local terms energy: -58.177768
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -7.213
Dist. restrs. and SS energy: 0.143 (S_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: 220
Temperature: 0.900000
Total energy: -189.992693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.992693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.332658 (E_RNA)
where:
Base-Base interactions energy: -116.191
where: short stacking energy: -67.147
Base-Backbone interact. energy: -0.172
local terms energy: -73.969480
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -18.932
Dist. restrs. and SS energy: 0.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -188.754333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.754333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.754333 (E_RNA)
where:
Base-Base interactions energy: -110.487
where: short stacking energy: -59.844
Base-Backbone interact. energy: -0.090
local terms energy: -78.177404
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -14.553
tors. eta vs tors. theta energy: -15.973
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -185.308678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.308678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.785312 (E_RNA)
where:
Base-Base interactions energy: -114.810
where: short stacking energy: -65.969
Base-Backbone interact. energy: -0.001
local terms energy: -70.973728
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -11.156
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -17.882
Dist. restrs. and SS energy: 0.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -187.569357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.569357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.656785 (E_RNA)
where:
Base-Base interactions energy: -108.918
where: short stacking energy: -68.380
Base-Backbone interact. energy: -0.000
local terms energy: -78.738615
where:
bonds (distance) C4'-P energy: -18.085
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -18.304
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -147.589487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.589487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.589487 (E_RNA)
where:
Base-Base interactions energy: -79.589
where: short stacking energy: -45.692
Base-Backbone interact. energy: -0.152
local terms energy: -67.848392
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -8.666
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -162.325592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.325592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.594663 (E_RNA)
where:
Base-Base interactions energy: -97.391
where: short stacking energy: -56.276
Base-Backbone interact. energy: -0.005
local terms energy: -65.198416
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -12.121
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -4.968
tors. eta vs tors. theta energy: -20.025
Dist. restrs. and SS energy: 0.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -140.340579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.340579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.340579 (E_RNA)
where:
Base-Base interactions energy: -90.338
where: short stacking energy: -45.267
Base-Backbone interact. energy: 0.200
local terms energy: -50.202385
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -7.808
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -5.862
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: 10
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -135.263970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.263970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.263970 (E_RNA)
where:
Base-Base interactions energy: -76.911
where: short stacking energy: -47.342
Base-Backbone interact. energy: -0.791
local terms energy: -57.562231
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -8.697
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: 9, replica: 9
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -154.786383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.786383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.786383 (E_RNA)
where:
Base-Base interactions energy: -82.592
where: short stacking energy: -55.515
Base-Backbone interact. energy: -0.009
local terms energy: -72.185550
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -16.963
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -112.660294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.660294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.720081 (E_RNA)
where:
Base-Base interactions energy: -65.735
where: short stacking energy: -34.955
Base-Backbone interact. energy: -0.153
local terms energy: -46.832324
where:
bonds (distance) C4'-P energy: -8.591
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -10.716
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -3.595
Dist. restrs. and SS energy: 0.060 (S_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: 221
Temperature: 0.900000
Total energy: -191.637466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.637466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.997330 (E_RNA)
where:
Base-Base interactions energy: -119.709
where: short stacking energy: -73.312
Base-Backbone interact. energy: -0.047
local terms energy: -72.242030
where:
bonds (distance) C4'-P energy: -16.900
bonds (distance) P-C4' energy: -18.875
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -3.622
tors. eta vs tors. theta energy: -16.042
Dist. restrs. and SS energy: 0.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -183.188999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.188999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.188999 (E_RNA)
where:
Base-Base interactions energy: -107.317
where: short stacking energy: -63.091
Base-Backbone interact. energy: -0.144
local terms energy: -75.727533
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -15.927
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: 3, replica: 5
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -188.331663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.331663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.490605 (E_RNA)
where:
Base-Base interactions energy: -110.688
where: short stacking energy: -64.954
Base-Backbone interact. energy: -1.350
local terms energy: -76.453207
where:
bonds (distance) C4'-P energy: -13.886
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -17.004
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -163.668727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.668727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.668727 (E_RNA)
where:
Base-Base interactions energy: -101.445
where: short stacking energy: -54.331
Base-Backbone interact. energy: -0.109
local terms energy: -62.114190
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -12.883
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -4.807
tors. eta vs tors. theta energy: -15.543
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -161.518810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.518810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.530596 (E_RNA)
where:
Base-Base interactions energy: -91.404
where: short stacking energy: -47.104
Base-Backbone interact. energy: -0.198
local terms energy: -69.928121
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -10.705
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -153.392032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.392032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.393388 (E_RNA)
where:
Base-Base interactions energy: -82.166
where: short stacking energy: -45.990
Base-Backbone interact. energy: 1.493
local terms energy: -72.719828
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -12.226
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -157.817628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.817628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.503614 (E_RNA)
where:
Base-Base interactions energy: -91.668
where: short stacking energy: -49.209
Base-Backbone interact. energy: -0.802
local terms energy: -66.034309
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -11.009
Dist. restrs. and SS energy: 0.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -129.093170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.093170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.093170 (E_RNA)
where:
Base-Base interactions energy: -68.138
where: short stacking energy: -33.733
Base-Backbone interact. energy: -0.377
local terms energy: -60.578315
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -18.116
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -3.245
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -126.794262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.794262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.874637 (E_RNA)
where:
Base-Base interactions energy: -58.390
where: short stacking energy: -33.794
Base-Backbone interact. energy: -0.015
local terms energy: -68.469858
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -8.088
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -120.578904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.578904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.698515 (E_RNA)
where:
Base-Base interactions energy: -64.851
where: short stacking energy: -39.110
Base-Backbone interact. energy: 0.824
local terms energy: -56.672057
where:
bonds (distance) C4'-P energy: -10.702
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -5.979
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -185.338825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.338825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.338825 (E_RNA)
where:
Base-Base interactions energy: -119.361
where: short stacking energy: -63.021
Base-Backbone interact. energy: -0.104
local terms energy: -65.874406
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -5.443
tors. eta vs tors. theta energy: -18.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -181.461262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.461262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.461262 (E_RNA)
where:
Base-Base interactions energy: -104.142
where: short stacking energy: -60.796
Base-Backbone interact. energy: -0.027
local terms energy: -77.292220
where:
bonds (distance) C4'-P energy: -12.859
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -14.219
tors. eta vs tors. theta energy: -17.193
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: 3, replica: 5
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -182.242478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.242478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.242478 (E_RNA)
where:
Base-Base interactions energy: -102.104
where: short stacking energy: -62.440
Base-Backbone interact. energy: -0.040
local terms energy: -80.097636
where:
bonds (distance) C4'-P energy: -17.633
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -13.231
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: 4, replica: 8
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -176.142291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.142291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.701575 (E_RNA)
where:
Base-Base interactions energy: -103.061
where: short stacking energy: -60.760
Base-Backbone interact. energy: -0.192
local terms energy: -73.448437
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -14.454
Dist. restrs. and SS energy: 0.559 (S_DIST_RNA)
chem. 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: -158.816988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.816988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.850842 (E_RNA)
where:
Base-Base interactions energy: -90.933
where: short stacking energy: -48.278
Base-Backbone interact. energy: -0.043
local terms energy: -67.874880
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -10.732
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -165.013416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.013416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.020047 (E_RNA)
where:
Base-Base interactions energy: -101.329
where: short stacking energy: -60.386
Base-Backbone interact. energy: -0.610
local terms energy: -63.081181
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -10.308
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -18.594
Dist. restrs. and SS energy: 0.007 (S_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: 222
Temperature: 1.200000
Total energy: -136.346502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.346502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.346502 (E_RNA)
where:
Base-Base interactions energy: -80.787
where: short stacking energy: -38.478
Base-Backbone interact. energy: -0.430
local terms energy: -55.128540
where:
bonds (distance) C4'-P energy: -12.010
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -6.364
tors. eta vs tors. theta energy: -7.869
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: 10
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -127.453062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.453062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.463144 (E_RNA)
where:
Base-Base interactions energy: -76.598
where: short stacking energy: -48.022
Base-Backbone interact. energy: 1.407
local terms energy: -52.272256
where:
bonds (distance) C4'-P energy: -7.291
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -11.555
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -7.303
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -129.383334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.383334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.427772 (E_RNA)
where:
Base-Base interactions energy: -78.797
where: short stacking energy: -45.753
Base-Backbone interact. energy: -0.113
local terms energy: -50.518319
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -12.485
flat angles C4'-P-C4' energy: -9.651
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -9.126
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -106.128611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.128611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.175230 (E_RNA)
where:
Base-Base interactions energy: -69.098
where: short stacking energy: -33.774
Base-Backbone interact. energy: -0.305
local terms energy: -36.772128
where:
bonds (distance) C4'-P energy: -8.305
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -6.637
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -2.348
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -192.921479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.921479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.927905 (E_RNA)
where:
Base-Base interactions energy: -117.784
where: short stacking energy: -57.996
Base-Backbone interact. energy: 0.386
local terms energy: -75.529905
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -18.334
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -13.816
tors. eta vs tors. theta energy: -16.025
Dist. restrs. and SS energy: 0.006 (S_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: 223
Temperature: 0.950000
Total energy: -180.274648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.274648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.293380 (E_RNA)
where:
Base-Base interactions energy: -110.713
where: short stacking energy: -59.863
Base-Backbone interact. energy: -0.005
local terms energy: -69.575667
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -11.835
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -17.379
Dist. restrs. and SS energy: 0.019 (S_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: 223
Temperature: 1.000000
Total energy: -179.479672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.479672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.479672 (E_RNA)
where:
Base-Base interactions energy: -102.502
where: short stacking energy: -59.170
Base-Backbone interact. energy: -0.881
local terms energy: -76.096476
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -12.912
tors. eta vs tors. theta energy: -16.207
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -182.871655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.871655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.288499 (E_RNA)
where:
Base-Base interactions energy: -115.844
where: short stacking energy: -62.551
Base-Backbone interact. energy: 0.412
local terms energy: -67.856623
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -19.589
Dist. restrs. and SS energy: 0.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -169.371380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.371380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.533602 (E_RNA)
where:
Base-Base interactions energy: -102.139
where: short stacking energy: -54.846
Base-Backbone interact. energy: -0.033
local terms energy: -67.362067
where:
bonds (distance) C4'-P energy: -9.485
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -15.995
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -161.072264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.072264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.072264 (E_RNA)
where:
Base-Base interactions energy: -104.857
where: short stacking energy: -52.740
Base-Backbone interact. energy: -0.686
local terms energy: -55.528922
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -11.026
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -12.821
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -152.722137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.722137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.737388 (E_RNA)
where:
Base-Base interactions energy: -91.548
where: short stacking energy: -47.490
Base-Backbone interact. energy: -0.101
local terms energy: -61.088330
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -13.855
Dist. restrs. and SS energy: 0.015 (S_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: 223
Temperature: 1.250000
Total energy: -149.321894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.321894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.961055 (E_RNA)
where:
Base-Base interactions energy: -92.649
where: short stacking energy: -50.288
Base-Backbone interact. energy: -0.097
local terms energy: -57.215583
where:
bonds (distance) C4'-P energy: -9.998
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -7.976
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -12.057
Dist. restrs. and SS energy: 0.639 (S_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: 223
Temperature: 1.300000
Total energy: -131.023188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.023188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.030962 (E_RNA)
where:
Base-Base interactions energy: -70.222
where: short stacking energy: -37.694
Base-Backbone interact. energy: -0.810
local terms energy: -59.998246
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -12.947
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: -3.448
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -118.314798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.314798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.339546 (E_RNA)
where:
Base-Base interactions energy: -68.653
where: short stacking energy: -41.165
Base-Backbone interact. energy: 0.792
local terms energy: -50.479235
where:
bonds (distance) C4'-P energy: -11.452
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -4.598
tors. eta vs tors. theta energy: -6.972
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -193.957596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.957596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.348000 (E_RNA)
where:
Base-Base interactions energy: -122.227
where: short stacking energy: -62.650
Base-Backbone interact. energy: -0.040
local terms energy: -72.081226
where:
bonds (distance) C4'-P energy: -11.439
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -15.820
Dist. restrs. and SS energy: 0.390 (S_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: 224
Temperature: 0.950000
Total energy: -191.309263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.309263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.384715 (E_RNA)
where:
Base-Base interactions energy: -112.779
where: short stacking energy: -55.015
Base-Backbone interact. energy: 0.408
local terms energy: -79.013893
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -19.814
flat angles C4'-P-C4' energy: -17.447
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -15.413
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -176.742335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.742335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.890854 (E_RNA)
where:
Base-Base interactions energy: -102.034
where: short stacking energy: -56.337
Base-Backbone interact. energy: -0.259
local terms energy: -74.597604
where:
bonds (distance) C4'-P energy: -16.527
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -14.148
Dist. restrs. and SS energy: 0.149 (S_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: -166.801512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.801512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.215280 (E_RNA)
where:
Base-Base interactions energy: -92.522
where: short stacking energy: -52.263
Base-Backbone interact. energy: -0.540
local terms energy: -74.153862
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -11.317
Dist. restrs. and SS energy: 0.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -145.912001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.912001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.961469 (E_RNA)
where:
Base-Base interactions energy: -84.297
where: short stacking energy: -37.082
Base-Backbone interact. energy: -0.146
local terms energy: -61.518717
where:
bonds (distance) C4'-P energy: -13.037
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -8.989
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -156.166455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.166455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.413145 (E_RNA)
where:
Base-Base interactions energy: -101.433
where: short stacking energy: -47.381
Base-Backbone interact. energy: -0.999
local terms energy: -53.981157
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -9.034
flat angles P-C4'-P energy: -6.344
tors. eta vs tors. theta energy: -9.077
Dist. restrs. and SS energy: 0.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -143.309489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.309489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.391967 (E_RNA)
where:
Base-Base interactions energy: -78.734
where: short stacking energy: -41.854
Base-Backbone interact. energy: -0.063
local terms energy: -64.595624
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -12.425
Dist. restrs. and SS energy: 0.082 (S_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: 224
Temperature: 1.250000
Total energy: -144.870047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.870047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.175017 (E_RNA)
where:
Base-Base interactions energy: -90.726
where: short stacking energy: -48.985
Base-Backbone interact. energy: 0.461
local terms energy: -54.909935
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -10.669
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -11.781
Dist. restrs. and SS energy: 0.305 (S_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: 224
Temperature: 1.300000
Total energy: -123.271733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.271733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.271733 (E_RNA)
where:
Base-Base interactions energy: -67.370
where: short stacking energy: -36.869
Base-Backbone interact. energy: 2.537
local terms energy: -58.439240
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -7.031
flat angles P-C4'-P energy: -12.667
tors. eta vs tors. theta energy: -8.684
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: 10, replica: 9
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -113.072340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.072340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.078554 (E_RNA)
where:
Base-Base interactions energy: -53.655
where: short stacking energy: -27.789
Base-Backbone interact. energy: -0.173
local terms energy: -59.250099
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -5.157
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -201.308923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.308923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.664354 (E_RNA)
where:
Base-Base interactions energy: -122.368
where: short stacking energy: -62.813
Base-Backbone interact. energy: -0.134
local terms energy: -79.162806
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -19.131
Dist. restrs. and SS energy: 0.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -193.867070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.867070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.867070 (E_RNA)
where:
Base-Base interactions energy: -116.618
where: short stacking energy: -72.820
Base-Backbone interact. energy: -0.026
local terms energy: -77.222552
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -21.322
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: 6
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -191.013033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.013033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.202510 (E_RNA)
where:
Base-Base interactions energy: -106.714
where: short stacking energy: -68.077
Base-Backbone interact. energy: -0.121
local terms energy: -84.368224
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -14.189
tors. eta vs tors. theta energy: -21.435
Dist. restrs. and SS energy: 0.189 (S_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: -174.940610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.940610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.087755 (E_RNA)
where:
Base-Base interactions energy: -102.735
where: short stacking energy: -57.088
Base-Backbone interact. energy: 0.017
local terms energy: -72.369702
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -17.210
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -155.340249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.340249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.375894 (E_RNA)
where:
Base-Base interactions energy: -87.754
where: short stacking energy: -51.182
Base-Backbone interact. energy: -0.216
local terms energy: -67.405587
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -12.794
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -149.474536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.474536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.495737 (E_RNA)
where:
Base-Base interactions energy: -83.985
where: short stacking energy: -49.813
Base-Backbone interact. energy: -0.054
local terms energy: -65.457011
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -6.091
tors. eta vs tors. theta energy: -13.704
Dist. restrs. and SS energy: 0.021 (S_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: 225
Temperature: 1.200000
Total energy: -151.156840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.156840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.513609 (E_RNA)
where:
Base-Base interactions energy: -89.513
where: short stacking energy: -43.975
Base-Backbone interact. energy: -0.014
local terms energy: -61.987516
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -4.979
tors. eta vs tors. theta energy: -13.058
Dist. restrs. and SS energy: 0.357 (S_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: 225
Temperature: 1.250000
Total energy: -138.443334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.443334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.443334 (E_RNA)
where:
Base-Base interactions energy: -84.665
where: short stacking energy: -43.153
Base-Backbone interact. energy: -0.220
local terms energy: -53.558538
where:
bonds (distance) C4'-P energy: -9.163
bonds (distance) P-C4' energy: -11.886
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -10.540
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: 3
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -147.178020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.178020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.788770 (E_RNA)
where:
Base-Base interactions energy: -93.538
where: short stacking energy: -35.756
Base-Backbone interact. energy: -0.346
local terms energy: -53.905389
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -11.683
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -6.692
Dist. restrs. and SS energy: 0.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -109.608949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.608949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.608949 (E_RNA)
where:
Base-Base interactions energy: -59.813
where: short stacking energy: -27.815
Base-Backbone interact. energy: -0.027
local terms energy: -49.768795
where:
bonds (distance) C4'-P energy: -11.298
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -0.981
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: 1, replica: 2
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -199.107542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.107542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.452748 (E_RNA)
where:
Base-Base interactions energy: -123.658
where: short stacking energy: -68.157
Base-Backbone interact. energy: -0.108
local terms energy: -75.687446
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -16.620
Dist. restrs. and SS energy: 0.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -177.458019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.458019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.458019 (E_RNA)
where:
Base-Base interactions energy: -112.241
where: short stacking energy: -55.275
Base-Backbone interact. energy: -0.073
local terms energy: -65.144452
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -12.655
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -12.670
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -169.752344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.752344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.786343 (E_RNA)
where:
Base-Base interactions energy: -95.349
where: short stacking energy: -47.394
Base-Backbone interact. energy: -0.372
local terms energy: -74.065272
where:
bonds (distance) C4'-P energy: -18.208
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -16.354
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -173.068710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.068710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.068710 (E_RNA)
where:
Base-Base interactions energy: -104.134
where: short stacking energy: -53.288
Base-Backbone interact. energy: -0.027
local terms energy: -68.907642
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -13.365
tors. eta vs tors. theta energy: -11.039
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -171.965596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.965596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.207719 (E_RNA)
where:
Base-Base interactions energy: -105.911
where: short stacking energy: -60.523
Base-Backbone interact. energy: -0.117
local terms energy: -66.180142
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -15.488
Dist. restrs. and SS energy: 0.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -158.490705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.490705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.768075 (E_RNA)
where:
Base-Base interactions energy: -91.772
where: short stacking energy: -50.911
Base-Backbone interact. energy: -0.499
local terms energy: -66.497202
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -13.586
Dist. restrs. and SS energy: 0.277 (S_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: 226
Temperature: 1.200000
Total energy: -152.533885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.533885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.533885 (E_RNA)
where:
Base-Base interactions energy: -91.299
where: short stacking energy: -41.856
Base-Backbone interact. energy: -0.269
local terms energy: -60.966373
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -8.934
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -5.332
tors. eta vs tors. theta energy: -14.044
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -140.833481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.833481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.880897 (E_RNA)
where:
Base-Base interactions energy: -75.541
where: short stacking energy: -41.038
Base-Backbone interact. energy: -0.011
local terms energy: -65.329202
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -11.917
tors. eta vs tors. theta energy: -11.695
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -123.895841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.895841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.055650 (E_RNA)
where:
Base-Base interactions energy: -68.237
where: short stacking energy: -36.489
Base-Backbone interact. energy: 0.852
local terms energy: -56.671302
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -6.929
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -9.910
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -128.757259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.757259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.763180 (E_RNA)
where:
Base-Base interactions energy: -75.816
where: short stacking energy: -37.037
Base-Backbone interact. energy: -0.192
local terms energy: -52.755469
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: -4.691
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -198.783947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.783947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.200482 (E_RNA)
where:
Base-Base interactions energy: -123.604
where: short stacking energy: -60.178
Base-Backbone interact. energy: -0.861
local terms energy: -74.736089
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -17.396
Dist. restrs. and SS energy: 0.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -185.739304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.739304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.739304 (E_RNA)
where:
Base-Base interactions energy: -109.575
where: short stacking energy: -56.645
Base-Backbone interact. energy: -0.237
local terms energy: -75.927259
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -15.572
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -168.960850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.960850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.963754 (E_RNA)
where:
Base-Base interactions energy: -101.920
where: short stacking energy: -58.039
Base-Backbone interact. energy: 0.197
local terms energy: -67.241137
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -11.938
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -178.664476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.664476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.691002 (E_RNA)
where:
Base-Base interactions energy: -115.618
where: short stacking energy: -72.685
Base-Backbone interact. energy: -0.056
local terms energy: -63.016757
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -13.509
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -3.651
tors. eta vs tors. theta energy: -16.649
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -173.271752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.271752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.271752 (E_RNA)
where:
Base-Base interactions energy: -105.107
where: short stacking energy: -59.739
Base-Backbone interact. energy: -0.100
local terms energy: -68.064568
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -5.677
tors. eta vs tors. theta energy: -12.724
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -163.392176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.392176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.854728 (E_RNA)
where:
Base-Base interactions energy: -95.713
where: short stacking energy: -54.337
Base-Backbone interact. energy: -0.107
local terms energy: -68.034184
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -12.261
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -14.971
Dist. restrs. and SS energy: 0.463 (S_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: 227
Temperature: 1.200000
Total energy: -156.601501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.601501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.134003 (E_RNA)
where:
Base-Base interactions energy: -94.898
where: short stacking energy: -45.274
Base-Backbone interact. energy: -0.764
local terms energy: -61.472090
where:
bonds (distance) C4'-P energy: -17.686
bonds (distance) P-C4' energy: -10.065
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -12.451
Dist. restrs. and SS energy: 0.533 (S_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: 227
Temperature: 1.250000
Total energy: -122.961822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.961822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.985075 (E_RNA)
where:
Base-Base interactions energy: -73.924
where: short stacking energy: -45.219
Base-Backbone interact. energy: -0.009
local terms energy: -49.052638
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -4.453
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -7.506
Dist. restrs. and SS energy: 0.023 (S_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: 227
Temperature: 1.300000
Total energy: -127.587801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.587801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.587801 (E_RNA)
where:
Base-Base interactions energy: -78.172
where: short stacking energy: -37.078
Base-Backbone interact. energy: -0.194
local terms energy: -49.221753
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -3.849
tors. eta vs tors. theta energy: -7.205
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -112.490973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.490973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.543916 (E_RNA)
where:
Base-Base interactions energy: -59.874
where: short stacking energy: -34.100
Base-Backbone interact. energy: -0.243
local terms energy: -52.427042
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -6.619
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -198.101391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.101391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.108410 (E_RNA)
where:
Base-Base interactions energy: -123.738
where: short stacking energy: -68.427
Base-Backbone interact. energy: -0.195
local terms energy: -74.175282
where:
bonds (distance) C4'-P energy: -14.296
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -15.974
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -201.491360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.491360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.692308 (E_RNA)
where:
Base-Base interactions energy: -130.357
where: short stacking energy: -61.043
Base-Backbone interact. energy: -0.430
local terms energy: -70.906216
where:
bonds (distance) C4'-P energy: -16.668
bonds (distance) P-C4' energy: -15.521
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -15.099
Dist. restrs. and SS energy: 0.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -175.234035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.234035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.502901 (E_RNA)
where:
Base-Base interactions energy: -99.830
where: short stacking energy: -54.976
Base-Backbone interact. energy: -0.006
local terms energy: -75.667221
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -14.429
Dist. restrs. and SS energy: 0.269 (S_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: -166.514526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.514526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.608140 (E_RNA)
where:
Base-Base interactions energy: -103.085
where: short stacking energy: -56.442
Base-Backbone interact. energy: -0.218
local terms energy: -63.304936
where:
bonds (distance) C4'-P energy: -17.148
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -10.572
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -11.314
Dist. restrs. and SS energy: 0.094 (S_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: 228
Temperature: 1.100000
Total energy: -169.413357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.413357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.417982 (E_RNA)
where:
Base-Base interactions energy: -99.665
where: short stacking energy: -50.573
Base-Backbone interact. energy: -0.033
local terms energy: -69.720105
where:
bonds (distance) C4'-P energy: -8.322
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -18.062
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -15.418
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. 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: -148.716662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.716662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.726488 (E_RNA)
where:
Base-Base interactions energy: -81.966
where: short stacking energy: -47.684
Base-Backbone interact. energy: -0.390
local terms energy: -66.371074
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -10.658
Dist. restrs. and SS energy: 0.010 (S_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: 228
Temperature: 1.200000
Total energy: -155.477714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.477714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.496913 (E_RNA)
where:
Base-Base interactions energy: -102.538
where: short stacking energy: -53.075
Base-Backbone interact. energy: -0.278
local terms energy: -52.680811
where:
bonds (distance) C4'-P energy: -7.432
bonds (distance) P-C4' energy: -9.620
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -9.968
Dist. restrs. and SS energy: 0.019 (S_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: 228
Temperature: 1.250000
Total energy: -124.413926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.413926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.421981 (E_RNA)
where:
Base-Base interactions energy: -70.699
where: short stacking energy: -40.944
Base-Backbone interact. energy: -0.044
local terms energy: -53.678994
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -10.318
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: -8.607
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -124.785854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.785854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.837189 (E_RNA)
where:
Base-Base interactions energy: -76.991
where: short stacking energy: -32.960
Base-Backbone interact. energy: -0.143
local terms energy: -47.703186
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -11.897
flat angles C4'-P-C4' energy: -8.903
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -4.059
Dist. restrs. and SS energy: 0.051 (S_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: 228
Temperature: 1.350000
Total energy: -122.151816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.151816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.180037 (E_RNA)
where:
Base-Base interactions energy: -66.685
where: short stacking energy: -30.876
Base-Backbone interact. energy: -0.985
local terms energy: -54.510745
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -5.455
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -192.248444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.248444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.692255 (E_RNA)
where:
Base-Base interactions energy: -118.983
where: short stacking energy: -59.673
Base-Backbone interact. energy: -0.107
local terms energy: -73.603087
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -18.086
Dist. restrs. and SS energy: 0.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -181.546773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.546773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.899745 (E_RNA)
where:
Base-Base interactions energy: -107.012
where: short stacking energy: -56.457
Base-Backbone interact. energy: -0.343
local terms energy: -74.544215
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -13.727
tors. eta vs tors. theta energy: -18.149
Dist. restrs. and SS energy: 0.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -190.498437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.498437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.565245 (E_RNA)
where:
Base-Base interactions energy: -120.035
where: short stacking energy: -65.570
Base-Backbone interact. energy: -0.087
local terms energy: -70.442957
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -4.735
tors. eta vs tors. theta energy: -19.910
Dist. restrs. and SS energy: 0.067 (S_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: -168.647524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.647524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.654443 (E_RNA)
where:
Base-Base interactions energy: -105.906
where: short stacking energy: -54.389
Base-Backbone interact. energy: 0.040
local terms energy: -62.788359
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -8.506
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -12.849
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -162.041032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.041032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.355871 (E_RNA)
where:
Base-Base interactions energy: -95.003
where: short stacking energy: -53.223
Base-Backbone interact. energy: -0.004
local terms energy: -67.349496
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -6.531
tors. eta vs tors. theta energy: -16.206
Dist. restrs. and SS energy: 0.315 (S_DIST_RNA)
chem. 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: -155.349761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.349761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.381349 (E_RNA)
where:
Base-Base interactions energy: -90.823
where: short stacking energy: -62.365
Base-Backbone interact. energy: -1.127
local terms energy: -63.432137
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -11.266
Dist. restrs. and SS energy: 0.032 (S_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: 229
Temperature: 1.200000
Total energy: -146.915487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.915487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.096999 (E_RNA)
where:
Base-Base interactions energy: -85.346
where: short stacking energy: -38.354
Base-Backbone interact. energy: -0.201
local terms energy: -61.550024
where:
bonds (distance) C4'-P energy: -12.511
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -7.959
Dist. restrs. and SS energy: 0.182 (S_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: 229
Temperature: 1.250000
Total energy: -131.172104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.172104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.172104 (E_RNA)
where:
Base-Base interactions energy: -65.297
where: short stacking energy: -34.086
Base-Backbone interact. energy: -0.964
local terms energy: -64.910920
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -10.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -119.660731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.660731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.674098 (E_RNA)
where:
Base-Base interactions energy: -63.648
where: short stacking energy: -37.289
Base-Backbone interact. energy: -0.029
local terms energy: -55.996858
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -4.695
tors. eta vs tors. theta energy: -4.887
Dist. restrs. and SS energy: 0.013 (S_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: 229
Temperature: 1.350000
Total energy: -132.589925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.589925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.724286 (E_RNA)
where:
Base-Base interactions energy: -68.094
where: short stacking energy: -36.381
Base-Backbone interact. energy: -0.021
local terms energy: -64.610018
where:
bonds (distance) C4'-P energy: -7.885
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -14.136
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -200.091221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.091221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.115377 (E_RNA)
where:
Base-Base interactions energy: -117.296
where: short stacking energy: -66.790
Base-Backbone interact. energy: -0.128
local terms energy: -82.691014
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -20.105
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -185.667352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.667352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.755483 (E_RNA)
where:
Base-Base interactions energy: -110.002
where: short stacking energy: -69.367
Base-Backbone interact. energy: -0.250
local terms energy: -75.503736
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -18.422
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -180.795988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.795988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.373685 (E_RNA)
where:
Base-Base interactions energy: -105.509
where: short stacking energy: -60.568
Base-Backbone interact. energy: -0.263
local terms energy: -75.602332
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -18.467
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -13.598
Dist. restrs. and SS energy: 0.578 (S_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: 230
Temperature: 1.050000
Total energy: -182.703062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.703062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.703062 (E_RNA)
where:
Base-Base interactions energy: -120.105
where: short stacking energy: -65.483
Base-Backbone interact. energy: -0.183
local terms energy: -62.415185
where:
bonds (distance) C4'-P energy: -13.989
bonds (distance) P-C4' energy: -3.338
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -17.008
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: 230
Temperature: 1.100000
Total energy: -157.556975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.556975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.587535 (E_RNA)
where:
Base-Base interactions energy: -86.933
where: short stacking energy: -50.397
Base-Backbone interact. energy: -0.125
local terms energy: -70.529618
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -10.891
Dist. restrs. and SS energy: 0.031 (S_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: 230
Temperature: 1.150000
Total energy: -160.983562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.983562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.003640 (E_RNA)
where:
Base-Base interactions energy: -100.755
where: short stacking energy: -49.182
Base-Backbone interact. energy: -0.101
local terms energy: -60.147678
where:
bonds (distance) C4'-P energy: -17.331
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -6.584
tors. eta vs tors. theta energy: -10.230
Dist. restrs. and SS energy: 0.020 (S_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: 230
Temperature: 1.200000
Total energy: -148.731274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.731274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.731274 (E_RNA)
where:
Base-Base interactions energy: -89.163
where: short stacking energy: -48.715
Base-Backbone interact. energy: 0.170
local terms energy: -59.738584
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -7.447
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: 8, replica: 3
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -149.665572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.665572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.042434 (E_RNA)
where:
Base-Base interactions energy: -86.968
where: short stacking energy: -43.939
Base-Backbone interact. energy: 1.528
local terms energy: -64.602547
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -12.678
Dist. restrs. and SS energy: 0.377 (S_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: 230
Temperature: 1.300000
Total energy: -117.357230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.357230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.357230 (E_RNA)
where:
Base-Base interactions energy: -60.575
where: short stacking energy: -30.245
Base-Backbone interact. energy: -0.446
local terms energy: -56.335993
where:
bonds (distance) C4'-P energy: -15.350
bonds (distance) P-C4' energy: -11.504
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -7.278
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -116.746332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.746332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.746332 (E_RNA)
where:
Base-Base interactions energy: -65.376
where: short stacking energy: -36.789
Base-Backbone interact. energy: -0.008
local terms energy: -51.362149
where:
bonds (distance) C4'-P energy: -9.649
bonds (distance) P-C4' energy: -8.691
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -11.904
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: 1
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -188.647208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.647208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.647208 (E_RNA)
where:
Base-Base interactions energy: -108.283
where: short stacking energy: -64.752
Base-Backbone interact. energy: -0.088
local terms energy: -80.276925
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -18.123
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -188.585133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.585133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.585133 (E_RNA)
where:
Base-Base interactions energy: -114.863
where: short stacking energy: -70.230
Base-Backbone interact. energy: 0.307
local terms energy: -74.028912
where:
bonds (distance) C4'-P energy: -11.289
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -19.338
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: 8
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -182.857056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.857056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.893179 (E_RNA)
where:
Base-Base interactions energy: -99.448
where: short stacking energy: -55.185
Base-Backbone interact. energy: -0.006
local terms energy: -83.440037
where:
bonds (distance) C4'-P energy: -15.174
bonds (distance) P-C4' energy: -18.891
flat angles C4'-P-C4' energy: -18.908
flat angles P-C4'-P energy: -14.533
tors. eta vs tors. theta energy: -15.934
Dist. restrs. and SS energy: 0.036 (S_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: 231
Temperature: 1.050000
Total energy: -172.018247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.018247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.321747 (E_RNA)
where:
Base-Base interactions energy: -97.372
where: short stacking energy: -53.925
Base-Backbone interact. energy: -1.334
local terms energy: -73.616084
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -15.896
Dist. restrs. and SS energy: 0.304 (S_DIST_RNA)
chem. 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: -149.112237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.112237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.127440 (E_RNA)
where:
Base-Base interactions energy: -80.238
where: short stacking energy: -44.121
Base-Backbone interact. energy: -0.280
local terms energy: -68.608983
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -7.909
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -157.105340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.105340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.105340 (E_RNA)
where:
Base-Base interactions energy: -88.405
where: short stacking energy: -42.463
Base-Backbone interact. energy: -0.004
local terms energy: -68.696001
where:
bonds (distance) C4'-P energy: -16.780
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -9.437
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -147.584026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.584026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.584026 (E_RNA)
where:
Base-Base interactions energy: -94.499
where: short stacking energy: -46.725
Base-Backbone interact. energy: -0.124
local terms energy: -52.961147
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -2.719
tors. eta vs tors. theta energy: -7.876
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: 8, replica: 3
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -146.039771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.039771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.354213 (E_RNA)
where:
Base-Base interactions energy: -83.943
where: short stacking energy: -44.930
Base-Backbone interact. energy: -0.183
local terms energy: -62.228291
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -9.772
Dist. restrs. and SS energy: 0.314 (S_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: 231
Temperature: 1.300000
Total energy: -127.476165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.476165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.507206 (E_RNA)
where:
Base-Base interactions energy: -68.447
where: short stacking energy: -36.977
Base-Backbone interact. energy: -0.340
local terms energy: -58.719826
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -18.183
flat angles P-C4'-P energy: -2.615
tors. eta vs tors. theta energy: -7.897
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -118.971189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.971189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.995077 (E_RNA)
where:
Base-Base interactions energy: -74.055
where: short stacking energy: -37.834
Base-Backbone interact. energy: -0.166
local terms energy: -44.774138
where:
bonds (distance) C4'-P energy: -11.029
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -10.652
flat angles P-C4'-P energy: -4.143
tors. eta vs tors. theta energy: -5.976
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -187.684604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.684604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.789348 (E_RNA)
where:
Base-Base interactions energy: -113.442
where: short stacking energy: -57.366
Base-Backbone interact. energy: -0.740
local terms energy: -73.607232
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -15.896
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -187.488187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.488187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.505585 (E_RNA)
where:
Base-Base interactions energy: -113.787
where: short stacking energy: -60.621
Base-Backbone interact. energy: -0.186
local terms energy: -73.532300
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: -16.331
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -179.137162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.137162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.145318 (E_RNA)
where:
Base-Base interactions energy: -114.182
where: short stacking energy: -69.762
Base-Backbone interact. energy: -0.270
local terms energy: -64.692671
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -10.536
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -13.742
Dist. restrs. and SS energy: 0.008 (S_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: 232
Temperature: 1.050000
Total energy: -171.593869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.593869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.735975 (E_RNA)
where:
Base-Base interactions energy: -104.972
where: short stacking energy: -59.259
Base-Backbone interact. energy: -0.035
local terms energy: -66.728644
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -19.149
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -12.836
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. 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: -169.604879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.604879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.465647 (E_RNA)
where:
Base-Base interactions energy: -100.823
where: short stacking energy: -57.942
Base-Backbone interact. energy: 0.036
local terms energy: -69.678902
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -13.202
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -16.184
Dist. restrs. and SS energy: 0.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -146.258766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.258766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.258766 (E_RNA)
where:
Base-Base interactions energy: -84.596
where: short stacking energy: -53.142
Base-Backbone interact. energy: 4.061
local terms energy: -65.723374
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -8.588
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: 3
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -151.119106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.119106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.148437 (E_RNA)
where:
Base-Base interactions energy: -97.068
where: short stacking energy: -53.819
Base-Backbone interact. energy: -0.062
local terms energy: -54.018337
where:
bonds (distance) C4'-P energy: -14.904
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -9.316
flat angles P-C4'-P energy: -5.856
tors. eta vs tors. theta energy: -9.970
Dist. restrs. and SS energy: 0.029 (S_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: 232
Temperature: 1.250000
Total energy: -159.514264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.514264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.514264 (E_RNA)
where:
Base-Base interactions energy: -95.063
where: short stacking energy: -50.107
Base-Backbone interact. energy: -0.043
local terms energy: -64.408237
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -13.073
tors. eta vs tors. theta energy: -9.219
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -133.646643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.646643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.646643 (E_RNA)
where:
Base-Base interactions energy: -76.116
where: short stacking energy: -44.912
Base-Backbone interact. energy: -0.236
local terms energy: -57.294087
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -12.192
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -6.882
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -127.807420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.807420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.807420 (E_RNA)
where:
Base-Base interactions energy: -74.584
where: short stacking energy: -31.143
Base-Backbone interact. energy: -1.174
local terms energy: -52.048971
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: -1.711
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -194.046589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.046589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.475194 (E_RNA)
where:
Base-Base interactions energy: -111.484
where: short stacking energy: -68.044
Base-Backbone interact. energy: -0.008
local terms energy: -82.982410
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -21.855
Dist. restrs. and SS energy: 0.429 (S_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: 233
Temperature: 0.950000
Total energy: -200.700946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.700946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.099377 (E_RNA)
where:
Base-Base interactions energy: -122.908
where: short stacking energy: -60.993
Base-Backbone interact. energy: -0.110
local terms energy: -78.080789
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -18.313
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -19.291
Dist. restrs. and SS energy: 0.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -171.481406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.481406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.536493 (E_RNA)
where:
Base-Base interactions energy: -108.153
where: short stacking energy: -54.164
Base-Backbone interact. energy: -0.200
local terms energy: -63.183171
where:
bonds (distance) C4'-P energy: -10.662
bonds (distance) P-C4' energy: -16.465
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -6.724
tors. eta vs tors. theta energy: -13.642
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -173.704296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.704296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.884994 (E_RNA)
where:
Base-Base interactions energy: -109.320
where: short stacking energy: -62.331
Base-Backbone interact. energy: -0.167
local terms energy: -64.398292
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -11.522
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. 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: -163.577581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.577581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.593686 (E_RNA)
where:
Base-Base interactions energy: -90.242
where: short stacking energy: -48.435
Base-Backbone interact. energy: -0.022
local terms energy: -73.329433
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -13.262
Dist. restrs. and SS energy: 0.016 (S_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: 233
Temperature: 1.150000
Total energy: -166.079723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.079723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.358075 (E_RNA)
where:
Base-Base interactions energy: -99.342
where: short stacking energy: -51.138
Base-Backbone interact. energy: -0.015
local terms energy: -67.001210
where:
bonds (distance) C4'-P energy: -12.164
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -11.990
Dist. restrs. and SS energy: 0.278 (S_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: 233
Temperature: 1.200000
Total energy: -138.172570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.172570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.311217 (E_RNA)
where:
Base-Base interactions energy: -77.066
where: short stacking energy: -51.643
Base-Backbone interact. energy: -1.519
local terms energy: -59.726854
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -10.917
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -11.909
Dist. restrs. and SS energy: 0.139 (S_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: 233
Temperature: 1.250000
Total energy: -128.795457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.795457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.821991 (E_RNA)
where:
Base-Base interactions energy: -72.519
where: short stacking energy: -38.862
Base-Backbone interact. energy: 1.132
local terms energy: -57.434791
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -11.631
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -9.000
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -146.877672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.877672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.010226 (E_RNA)
where:
Base-Base interactions energy: -91.376
where: short stacking energy: -41.603
Base-Backbone interact. energy: -0.366
local terms energy: -55.268059
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -10.923
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -6.525
Dist. restrs. and SS energy: 0.133 (S_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: 233
Temperature: 1.350000
Total energy: -129.405811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.405811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.640470 (E_RNA)
where:
Base-Base interactions energy: -73.623
where: short stacking energy: -33.012
Base-Backbone interact. energy: -0.249
local terms energy: -55.768060
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: -3.566
Dist. restrs. and SS energy: 0.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -191.746214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.746214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.801227 (E_RNA)
where:
Base-Base interactions energy: -114.951
where: short stacking energy: -62.954
Base-Backbone interact. energy: -0.320
local terms energy: -76.530814
where:
bonds (distance) C4'-P energy: -12.755
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -16.838
Dist. restrs. and SS energy: 0.055 (S_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: 234
Temperature: 0.950000
Total energy: -194.609507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.609507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.136404 (E_RNA)
where:
Base-Base interactions energy: -123.317
where: short stacking energy: -65.026
Base-Backbone interact. energy: -0.110
local terms energy: -71.708983
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -10.617
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -19.569
Dist. restrs. and SS energy: 0.527 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -175.647444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.647444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.698159 (E_RNA)
where:
Base-Base interactions energy: -102.517
where: short stacking energy: -54.190
Base-Backbone interact. energy: -0.082
local terms energy: -73.099010
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -18.076
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -172.041966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.041966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.493491 (E_RNA)
where:
Base-Base interactions energy: -103.106
where: short stacking energy: -50.772
Base-Backbone interact. energy: -0.899
local terms energy: -68.487886
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -10.974
Dist. restrs. and SS energy: 0.452 (S_DIST_RNA)
chem. 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: -166.431259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.431259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.636470 (E_RNA)
where:
Base-Base interactions energy: -88.374
where: short stacking energy: -51.192
Base-Backbone interact. energy: -0.093
local terms energy: -78.169896
where:
bonds (distance) C4'-P energy: -16.561
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -18.217
Dist. restrs. and SS energy: 0.205 (S_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: 234
Temperature: 1.150000
Total energy: -158.339542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.339542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.616193 (E_RNA)
where:
Base-Base interactions energy: -93.782
where: short stacking energy: -49.480
Base-Backbone interact. energy: -0.176
local terms energy: -64.658385
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -14.144
Dist. restrs. and SS energy: 0.277 (S_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: 234
Temperature: 1.200000
Total energy: -137.712972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.712972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.712972 (E_RNA)
where:
Base-Base interactions energy: -82.612
where: short stacking energy: -38.645
Base-Backbone interact. energy: -1.014
local terms energy: -54.086858
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -4.630
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -140.328517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.328517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.731652 (E_RNA)
where:
Base-Base interactions energy: -86.139
where: short stacking energy: -38.639
Base-Backbone interact. energy: 3.030
local terms energy: -57.623021
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -11.841
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -7.131
Dist. restrs. and SS energy: 0.403 (S_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: 234
Temperature: 1.300000
Total energy: -129.349164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.349164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.349164 (E_RNA)
where:
Base-Base interactions energy: -67.843
where: short stacking energy: -39.627
Base-Backbone interact. energy: -0.265
local terms energy: -61.241013
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -6.473
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -124.283291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.283291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.291410 (E_RNA)
where:
Base-Base interactions energy: -69.544
where: short stacking energy: -38.019
Base-Backbone interact. energy: -0.213
local terms energy: -54.534441
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -11.428
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -5.297
tors. eta vs tors. theta energy: -9.852
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -190.062817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.062817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.062817 (E_RNA)
where:
Base-Base interactions energy: -118.045
where: short stacking energy: -62.457
Base-Backbone interact. energy: -1.266
local terms energy: -70.751701
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -13.132
tors. eta vs tors. theta energy: -15.276
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: 2
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -196.073922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.073922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.400260 (E_RNA)
where:
Base-Base interactions energy: -118.292
where: short stacking energy: -67.722
Base-Backbone interact. energy: -0.006
local terms energy: -78.102611
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -18.794
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -18.381
Dist. restrs. and SS energy: 0.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -175.234937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.234937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.319797 (E_RNA)
where:
Base-Base interactions energy: -102.821
where: short stacking energy: -58.485
Base-Backbone interact. energy: -0.229
local terms energy: -72.269152
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -14.703
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -174.621562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.621562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.621562 (E_RNA)
where:
Base-Base interactions energy: -97.550
where: short stacking energy: -54.531
Base-Backbone interact. energy: -0.156
local terms energy: -76.915508
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -14.345
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: 8
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -164.917063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.917063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.932939 (E_RNA)
where:
Base-Base interactions energy: -96.449
where: short stacking energy: -52.038
Base-Backbone interact. energy: -0.109
local terms energy: -68.375106
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -17.226
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -12.888
Dist. restrs. and SS energy: 0.016 (S_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: 235
Temperature: 1.150000
Total energy: -143.822280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.822280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.822280 (E_RNA)
where:
Base-Base interactions energy: -83.487
where: short stacking energy: -47.029
Base-Backbone interact. energy: 0.122
local terms energy: -60.458007
where:
bonds (distance) C4'-P energy: -9.941
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -17.978
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -7.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -166.553784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.553784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.854820 (E_RNA)
where:
Base-Base interactions energy: -105.448
where: short stacking energy: -54.757
Base-Backbone interact. energy: -0.125
local terms energy: -61.281615
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -10.152
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -12.773
Dist. restrs. and SS energy: 0.301 (S_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: 235
Temperature: 1.250000
Total energy: -138.860217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.860217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.871520 (E_RNA)
where:
Base-Base interactions energy: -75.639
where: short stacking energy: -47.914
Base-Backbone interact. energy: -0.005
local terms energy: -63.227714
where:
bonds (distance) C4'-P energy: -13.045
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -6.132
tors. eta vs tors. theta energy: -14.572
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -132.214056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.214056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.214056 (E_RNA)
where:
Base-Base interactions energy: -81.723
where: short stacking energy: -39.241
Base-Backbone interact. energy: -0.185
local terms energy: -50.306670
where:
bonds (distance) C4'-P energy: -7.875
bonds (distance) P-C4' energy: -12.901
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -8.499
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -124.232656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.232656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.370477 (E_RNA)
where:
Base-Base interactions energy: -76.326
where: short stacking energy: -35.236
Base-Backbone interact. energy: -0.122
local terms energy: -47.922725
where:
bonds (distance) C4'-P energy: -17.419
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: 1.643
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -8.111
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -190.423680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.423680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.423680 (E_RNA)
where:
Base-Base interactions energy: -108.085
where: short stacking energy: -68.148
Base-Backbone interact. energy: -0.002
local terms energy: -82.337286
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -19.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -185.520374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.520374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.550270 (E_RNA)
where:
Base-Base interactions energy: -107.926
where: short stacking energy: -58.536
Base-Backbone interact. energy: 0.013
local terms energy: -77.637596
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -16.683
Dist. restrs. and SS energy: 0.030 (S_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: 236
Temperature: 1.000000
Total energy: -186.369677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.369677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.374871 (E_RNA)
where:
Base-Base interactions energy: -113.087
where: short stacking energy: -61.893
Base-Backbone interact. energy: -0.237
local terms energy: -73.050966
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -17.338
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -180.382864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.382864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.435683 (E_RNA)
where:
Base-Base interactions energy: -111.421
where: short stacking energy: -64.381
Base-Backbone interact. energy: 0.456
local terms energy: -69.471379
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -18.510
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -18.016
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -148.604709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.604709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.604709 (E_RNA)
where:
Base-Base interactions energy: -87.077
where: short stacking energy: -55.174
Base-Backbone interact. energy: -0.056
local terms energy: -61.472056
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: -10.150
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -136.682540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.682540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.682540 (E_RNA)
where:
Base-Base interactions energy: -75.873
where: short stacking energy: -50.957
Base-Backbone interact. energy: 0.751
local terms energy: -61.560384
where:
bonds (distance) C4'-P energy: -16.267
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -6.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -171.876330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.876330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.032993 (E_RNA)
where:
Base-Base interactions energy: -114.569
where: short stacking energy: -55.104
Base-Backbone interact. energy: -0.316
local terms energy: -58.148455
where:
bonds (distance) C4'-P energy: -8.137
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -5.381
tors. eta vs tors. theta energy: -14.917
Dist. restrs. and SS energy: 1.157 (S_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: 236
Temperature: 1.250000
Total energy: -142.368544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.368544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.368544 (E_RNA)
where:
Base-Base interactions energy: -78.811
where: short stacking energy: -33.237
Base-Backbone interact. energy: -0.168
local terms energy: -63.389707
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -18.920
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -8.149
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -134.837941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.837941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.882723 (E_RNA)
where:
Base-Base interactions energy: -77.970
where: short stacking energy: -45.531
Base-Backbone interact. energy: -0.911
local terms energy: -56.001272
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -7.590
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -146.884635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.884635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.327645 (E_RNA)
where:
Base-Base interactions energy: -83.456
where: short stacking energy: -49.211
Base-Backbone interact. energy: -0.049
local terms energy: -63.822638
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -10.707
Dist. restrs. and SS energy: 0.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -204.227874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.227874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.227874 (E_RNA)
where:
Base-Base interactions energy: -125.050
where: short stacking energy: -78.909
Base-Backbone interact. energy: -0.170
local terms energy: -79.008790
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: -22.575
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: 237
Temperature: 0.950000
Total energy: -182.269028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.269028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.416501 (E_RNA)
where:
Base-Base interactions energy: -110.470
where: short stacking energy: -65.325
Base-Backbone interact. energy: -0.076
local terms energy: -71.870828
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -11.273
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -18.173
Dist. restrs. and SS energy: 0.147 (S_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: 237
Temperature: 1.000000
Total energy: -184.944494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.944494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.944494 (E_RNA)
where:
Base-Base interactions energy: -107.903
where: short stacking energy: -60.142
Base-Backbone interact. energy: -0.504
local terms energy: -76.538004
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -16.505
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: 237
Temperature: 1.050000
Total energy: -175.186474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.186474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.198944 (E_RNA)
where:
Base-Base interactions energy: -100.750
where: short stacking energy: -57.308
Base-Backbone interact. energy: -1.183
local terms energy: -73.266821
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -14.764
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -162.280506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.280506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.280506 (E_RNA)
where:
Base-Base interactions energy: -94.469
where: short stacking energy: -48.606
Base-Backbone interact. energy: -0.033
local terms energy: -67.778666
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -13.685
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -192.094983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.094983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.311348 (E_RNA)
where:
Base-Base interactions energy: -127.401
where: short stacking energy: -53.773
Base-Backbone interact. energy: -0.105
local terms energy: -65.805592
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -12.131
Dist. restrs. and SS energy: 1.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -153.547559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.547559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.647284 (E_RNA)
where:
Base-Base interactions energy: -87.399
where: short stacking energy: -48.914
Base-Backbone interact. energy: -1.103
local terms energy: -65.145406
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -12.948
Dist. restrs. and SS energy: 0.100 (S_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: 237
Temperature: 1.250000
Total energy: -141.805368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.805368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.805368 (E_RNA)
where:
Base-Base interactions energy: -83.089
where: short stacking energy: -48.638
Base-Backbone interact. energy: -0.212
local terms energy: -58.505214
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -4.448
tors. eta vs tors. theta energy: -13.032
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -129.981977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.981977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.020695 (E_RNA)
where:
Base-Base interactions energy: -76.284
where: short stacking energy: -44.353
Base-Backbone interact. energy: -0.068
local terms energy: -53.668888
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -10.798
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -5.490
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -130.940549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.940549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.084270 (E_RNA)
where:
Base-Base interactions energy: -77.372
where: short stacking energy: -27.056
Base-Backbone interact. energy: -0.122
local terms energy: -53.590459
where:
bonds (distance) C4'-P energy: -9.208
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -4.983
Dist. restrs. and SS energy: 0.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -197.605877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.605877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.953088 (E_RNA)
where:
Base-Base interactions energy: -117.816
where: short stacking energy: -64.457
Base-Backbone interact. energy: -0.004
local terms energy: -80.132418
where:
bonds (distance) C4'-P energy: -17.595
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -17.196
Dist. restrs. and SS energy: 0.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -191.372466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.372466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.417307 (E_RNA)
where:
Base-Base interactions energy: -110.562
where: short stacking energy: -68.858
Base-Backbone interact. energy: -0.004
local terms energy: -80.850969
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -22.022
Dist. restrs. and SS energy: 0.045 (S_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: 238
Temperature: 1.000000
Total energy: -175.354988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.354988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.517958 (E_RNA)
where:
Base-Base interactions energy: -104.118
where: short stacking energy: -58.456
Base-Backbone interact. energy: -0.159
local terms energy: -71.241147
where:
bonds (distance) C4'-P energy: -11.667
bonds (distance) P-C4' energy: -18.492
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -15.221
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -158.778399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.778399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.801015 (E_RNA)
where:
Base-Base interactions energy: -95.234
where: short stacking energy: -51.243
Base-Backbone interact. energy: -0.106
local terms energy: -63.461675
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -12.995
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -173.417429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.417429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.791695 (E_RNA)
where:
Base-Base interactions energy: -105.540
where: short stacking energy: -62.780
Base-Backbone interact. energy: -1.461
local terms energy: -68.791163
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -16.300
Dist. restrs. and SS energy: 2.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -136.194764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.194764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.202077 (E_RNA)
where:
Base-Base interactions energy: -71.060
where: short stacking energy: -32.232
Base-Backbone interact. energy: -0.431
local terms energy: -64.710697
where:
bonds (distance) C4'-P energy: -17.186
bonds (distance) P-C4' energy: -16.327
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -5.701
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. 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: -146.820816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.820816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.820816 (E_RNA)
where:
Base-Base interactions energy: -87.770
where: short stacking energy: -45.562
Base-Backbone interact. energy: 0.851
local terms energy: -59.901112
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -10.933
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -8.594
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -135.099374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.099374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.187458 (E_RNA)
where:
Base-Base interactions energy: -75.206
where: short stacking energy: -37.888
Base-Backbone interact. energy: -0.171
local terms energy: -59.811354
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -7.138
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -143.734424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.734424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.734424 (E_RNA)
where:
Base-Base interactions energy: -84.712
where: short stacking energy: -42.733
Base-Backbone interact. energy: -0.162
local terms energy: -58.860461
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -6.504
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -131.860544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.860544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.860544 (E_RNA)
where:
Base-Base interactions energy: -67.356
where: short stacking energy: -35.872
Base-Backbone interact. energy: 1.287
local terms energy: -65.792318
where:
bonds (distance) C4'-P energy: -16.568
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -7.706
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: 2
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -193.274303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.274303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.321379 (E_RNA)
where:
Base-Base interactions energy: -112.141
where: short stacking energy: -65.509
Base-Backbone interact. energy: -0.018
local terms energy: -81.162708
where:
bonds (distance) C4'-P energy: -17.471
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -17.245
Dist. restrs. and SS energy: 0.047 (S_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: 239
Temperature: 0.950000
Total energy: -198.522038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.522038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.959241 (E_RNA)
where:
Base-Base interactions energy: -115.395
where: short stacking energy: -63.901
Base-Backbone interact. energy: -0.001
local terms energy: -83.564148
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -18.780
Dist. restrs. and SS energy: 0.437 (S_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: 239
Temperature: 1.000000
Total energy: -187.113734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.113734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.113734 (E_RNA)
where:
Base-Base interactions energy: -113.943
where: short stacking energy: -71.434
Base-Backbone interact. energy: -0.076
local terms energy: -73.095235
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -20.605
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: 1
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -182.061634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.061634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.312814 (E_RNA)
where:
Base-Base interactions energy: -110.747
where: short stacking energy: -58.179
Base-Backbone interact. energy: -0.780
local terms energy: -70.785745
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -15.353
Dist. restrs. and SS energy: 0.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -170.408791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.408791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.641228 (E_RNA)
where:
Base-Base interactions energy: -110.790
where: short stacking energy: -46.312
Base-Backbone interact. energy: -0.222
local terms energy: -60.629497
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -6.539
tors. eta vs tors. theta energy: -13.851
Dist. restrs. and SS energy: 1.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -171.257844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.257844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.257844 (E_RNA)
where:
Base-Base interactions energy: -105.733
where: short stacking energy: -56.722
Base-Backbone interact. energy: -0.002
local terms energy: -65.522668
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -5.313
tors. eta vs tors. theta energy: -13.364
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -147.253466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.253466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.253466 (E_RNA)
where:
Base-Base interactions energy: -92.504
where: short stacking energy: -46.987
Base-Backbone interact. energy: 0.054
local terms energy: -54.803622
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -10.593
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -9.492
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: 7
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -131.383256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.383256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.383256 (E_RNA)
where:
Base-Base interactions energy: -66.976
where: short stacking energy: -40.484
Base-Backbone interact. energy: -0.032
local terms energy: -64.375201
where:
bonds (distance) C4'-P energy: -17.915
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -9.316
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -139.739473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.739473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.739473 (E_RNA)
where:
Base-Base interactions energy: -84.284
where: short stacking energy: -40.836
Base-Backbone interact. energy: -0.138
local terms energy: -55.317237
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -7.078
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -11.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -142.050724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.050724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.128247 (E_RNA)
where:
Base-Base interactions energy: -88.174
where: short stacking energy: -45.271
Base-Backbone interact. energy: -0.596
local terms energy: -53.358369
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -10.467
flat angles C4'-P-C4' energy: -11.714
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -9.563
Dist. restrs. and SS energy: 0.078 (S_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: 240
Temperature: 0.900000
Total energy: -215.417621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.417621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.417621 (E_RNA)
where:
Base-Base interactions energy: -134.743
where: short stacking energy: -76.835
Base-Backbone interact. energy: -0.243
local terms energy: -80.431618
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -19.364
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -21.746
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -187.592470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.592470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.955229 (E_RNA)
where:
Base-Base interactions energy: -108.271
where: short stacking energy: -67.762
Base-Backbone interact. energy: -0.020
local terms energy: -79.663975
where:
bonds (distance) C4'-P energy: -18.999
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -17.517
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -16.231
Dist. restrs. and SS energy: 0.363 (S_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: 240
Temperature: 1.000000
Total energy: -178.424857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.424857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.433471 (E_RNA)
where:
Base-Base interactions energy: -106.314
where: short stacking energy: -60.914
Base-Backbone interact. energy: -0.067
local terms energy: -72.052383
where:
bonds (distance) C4'-P energy: -14.296
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -14.405
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -172.268193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.268193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.276816 (E_RNA)
where:
Base-Base interactions energy: -107.310
where: short stacking energy: -55.688
Base-Backbone interact. energy: -0.249
local terms energy: -64.717231
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -10.299
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -15.965
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -133.133596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.133596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.133596 (E_RNA)
where:
Base-Base interactions energy: -68.724
where: short stacking energy: -29.023
Base-Backbone interact. energy: -0.137
local terms energy: -64.271981
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -13.217
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: 6, replica: 4
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -156.113453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.113453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.113453 (E_RNA)
where:
Base-Base interactions energy: -89.386
where: short stacking energy: -41.658
Base-Backbone interact. energy: -2.027
local terms energy: -64.700730
where:
bonds (distance) C4'-P energy: -16.468
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -6.566
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: 7
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -141.014291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.014291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.317314 (E_RNA)
where:
Base-Base interactions energy: -86.084
where: short stacking energy: -39.654
Base-Backbone interact. energy: -0.129
local terms energy: -55.104503
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -7.870
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -8.120
Dist. restrs. and SS energy: 0.303 (S_DIST_RNA)
chem. 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: -138.460355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.460355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.639210 (E_RNA)
where:
Base-Base interactions energy: -77.720
where: short stacking energy: -41.416
Base-Backbone interact. energy: -0.198
local terms energy: -60.720965
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -6.092
tors. eta vs tors. theta energy: -9.871
Dist. restrs. and SS energy: 0.179 (S_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: 240
Temperature: 1.300000
Total energy: -146.450555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.450555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.450555 (E_RNA)
where:
Base-Base interactions energy: -88.875
where: short stacking energy: -46.616
Base-Backbone interact. energy: -0.096
local terms energy: -57.478859
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -9.781
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -13.153
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -122.403645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.403645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.094240 (E_RNA)
where:
Base-Base interactions energy: -69.095
where: short stacking energy: -35.588
Base-Backbone interact. energy: 1.511
local terms energy: -55.510397
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -9.820
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -9.482
Dist. restrs. and SS energy: 0.691 (S_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: 241
Temperature: 0.900000
Total energy: -209.811950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.811950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.320866 (E_RNA)
where:
Base-Base interactions energy: -134.021
where: short stacking energy: -73.896
Base-Backbone interact. energy: -0.012
local terms energy: -76.287763
where:
bonds (distance) C4'-P energy: -13.977
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -22.158
Dist. restrs. and SS energy: 0.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -184.545448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.545448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.007737 (E_RNA)
where:
Base-Base interactions energy: -106.592
where: short stacking energy: -59.503
Base-Backbone interact. energy: -0.591
local terms energy: -77.825351
where:
bonds (distance) C4'-P energy: -17.252
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -16.735
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -15.682
Dist. restrs. and SS energy: 0.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -179.125266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.125266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.202334 (E_RNA)
where:
Base-Base interactions energy: -100.879
where: short stacking energy: -59.327
Base-Backbone interact. energy: -0.003
local terms energy: -78.320107
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -16.211
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -14.653
tors. eta vs tors. theta energy: -17.223
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -185.105772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.105772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.111614 (E_RNA)
where:
Base-Base interactions energy: -110.707
where: short stacking energy: -68.215
Base-Backbone interact. energy: -0.146
local terms energy: -74.258099
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -18.675
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -163.289708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.289708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.376240 (E_RNA)
where:
Base-Base interactions energy: -98.028
where: short stacking energy: -50.776
Base-Backbone interact. energy: -0.015
local terms energy: -65.333406
where:
bonds (distance) C4'-P energy: -10.246
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -14.885
Dist. restrs. and SS energy: 0.087 (S_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: 241
Temperature: 1.150000
Total energy: -158.370126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.370126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.377766 (E_RNA)
where:
Base-Base interactions energy: -98.164
where: short stacking energy: -51.408
Base-Backbone interact. energy: -0.246
local terms energy: -59.967676
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -6.075
tors. eta vs tors. theta energy: -7.690
Dist. restrs. and SS energy: 0.008 (S_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: 241
Temperature: 1.200000
Total energy: -149.761895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.761895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.761895 (E_RNA)
where:
Base-Base interactions energy: -92.497
where: short stacking energy: -50.429
Base-Backbone interact. energy: -0.704
local terms energy: -56.561280
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -11.286
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -9.582
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: 241
Temperature: 1.250000
Total energy: -144.062312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.062312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.062312 (E_RNA)
where:
Base-Base interactions energy: -85.622
where: short stacking energy: -37.078
Base-Backbone interact. energy: -0.329
local terms energy: -58.111774
where:
bonds (distance) C4'-P energy: -12.093
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -10.707
flat angles P-C4'-P energy: -5.968
tors. eta vs tors. theta energy: -10.710
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -121.469024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.469024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.470597 (E_RNA)
where:
Base-Base interactions energy: -64.872
where: short stacking energy: -30.253
Base-Backbone interact. energy: -0.547
local terms energy: -56.051447
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -17.282
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -5.390
tors. eta vs tors. theta energy: -3.342
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -124.034940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.034940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.034940 (E_RNA)
where:
Base-Base interactions energy: -64.086
where: short stacking energy: -33.419
Base-Backbone interact. energy: -0.076
local terms energy: -59.873399
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -6.276
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -10.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -204.032880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.032880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.121914 (E_RNA)
where:
Base-Base interactions energy: -128.189
where: short stacking energy: -69.414
Base-Backbone interact. energy: -0.049
local terms energy: -75.884125
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -17.750
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -184.442091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.442091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.729488 (E_RNA)
where:
Base-Base interactions energy: -111.418
where: short stacking energy: -63.935
Base-Backbone interact. energy: -0.046
local terms energy: -73.265584
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -15.961
Dist. restrs. and SS energy: 0.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -191.260167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.260167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.523818 (E_RNA)
where:
Base-Base interactions energy: -118.013
where: short stacking energy: -71.296
Base-Backbone interact. energy: -0.089
local terms energy: -73.421151
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -11.450
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -22.700
Dist. restrs. and SS energy: 0.264 (S_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: 242
Temperature: 1.050000
Total energy: -169.371119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.371119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.371119 (E_RNA)
where:
Base-Base interactions energy: -96.945
where: short stacking energy: -50.105
Base-Backbone interact. energy: -0.027
local terms energy: -72.399566
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -19.124
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -10.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -167.578408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.578408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.582997 (E_RNA)
where:
Base-Base interactions energy: -104.751
where: short stacking energy: -52.922
Base-Backbone interact. energy: -0.179
local terms energy: -62.652515
where:
bonds (distance) C4'-P energy: -12.217
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -14.618
Dist. restrs. and SS energy: 0.005 (S_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: 242
Temperature: 1.150000
Total energy: -150.714475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.714475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.714475 (E_RNA)
where:
Base-Base interactions energy: -91.619
where: short stacking energy: -48.190
Base-Backbone interact. energy: -0.163
local terms energy: -58.932619
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -6.634
tors. eta vs tors. theta energy: -9.898
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -146.934484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.934484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.172807 (E_RNA)
where:
Base-Base interactions energy: -85.511
where: short stacking energy: -36.623
Base-Backbone interact. energy: 0.078
local terms energy: -61.740295
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -11.658
flat angles P-C4'-P energy: -12.986
tors. eta vs tors. theta energy: -7.929
Dist. restrs. and SS energy: 0.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -130.249610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.249610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.270630 (E_RNA)
where:
Base-Base interactions energy: -78.230
where: short stacking energy: -44.304
Base-Backbone interact. energy: -0.101
local terms energy: -51.939053
where:
bonds (distance) C4'-P energy: -12.254
bonds (distance) P-C4' energy: -12.836
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -4.314
tors. eta vs tors. theta energy: -9.531
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -132.206455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.206455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.549929 (E_RNA)
where:
Base-Base interactions energy: -78.098
where: short stacking energy: -36.457
Base-Backbone interact. energy: -0.881
local terms energy: -53.570291
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -2.686
Dist. restrs. and SS energy: 0.343 (S_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: 242
Temperature: 1.350000
Total energy: -118.439919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.439919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.439919 (E_RNA)
where:
Base-Base interactions energy: -66.014
where: short stacking energy: -28.359
Base-Backbone interact. energy: -0.366
local terms energy: -52.059185
where:
bonds (distance) C4'-P energy: -16.121
bonds (distance) P-C4' energy: -9.653
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -0.051
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: 1, replica: 6
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -207.198716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.198716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.198716 (E_RNA)
where:
Base-Base interactions energy: -128.379
where: short stacking energy: -78.733
Base-Backbone interact. energy: -0.022
local terms energy: -78.797661
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -21.101
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: 2, replica: 5
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -195.006080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.006080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.006080 (E_RNA)
where:
Base-Base interactions energy: -117.237
where: short stacking energy: -69.520
Base-Backbone interact. energy: -0.018
local terms energy: -77.750898
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -18.340
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: 1
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -171.530654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.530654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.569521 (E_RNA)
where:
Base-Base interactions energy: -109.114
where: short stacking energy: -49.197
Base-Backbone interact. energy: -0.427
local terms energy: -62.027945
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -10.766
Dist. restrs. and SS energy: 0.039 (S_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: 243
Temperature: 1.050000
Total energy: -161.416585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.416585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.416585 (E_RNA)
where:
Base-Base interactions energy: -103.045
where: short stacking energy: -61.390
Base-Backbone interact. energy: -0.102
local terms energy: -58.269078
where:
bonds (distance) C4'-P energy: -10.095
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -14.149
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: 9
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -165.353016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.353016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.353016 (E_RNA)
where:
Base-Base interactions energy: -96.779
where: short stacking energy: -49.024
Base-Backbone interact. energy: -0.101
local terms energy: -68.472648
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -8.134
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: 7
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -146.923024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.923024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.923024 (E_RNA)
where:
Base-Base interactions energy: -87.275
where: short stacking energy: -39.816
Base-Backbone interact. energy: -0.083
local terms energy: -59.565038
where:
bonds (distance) C4'-P energy: -14.780
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -4.620
tors. eta vs tors. theta energy: -9.698
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -130.011427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.011427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.036518 (E_RNA)
where:
Base-Base interactions energy: -67.436
where: short stacking energy: -39.071
Base-Backbone interact. energy: -0.087
local terms energy: -62.514193
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -8.773
Dist. restrs. and SS energy: 0.025 (S_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: 243
Temperature: 1.250000
Total energy: -146.484400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.484400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.690266 (E_RNA)
where:
Base-Base interactions energy: -87.240
where: short stacking energy: -42.363
Base-Backbone interact. energy: -0.062
local terms energy: -59.388358
where:
bonds (distance) C4'-P energy: -17.397
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -11.018
flat angles P-C4'-P energy: -6.955
tors. eta vs tors. theta energy: -11.502
Dist. restrs. and SS energy: 0.206 (S_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: 243
Temperature: 1.300000
Total energy: -118.723685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.723685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.768642 (E_RNA)
where:
Base-Base interactions energy: -72.227
where: short stacking energy: -33.339
Base-Backbone interact. energy: -0.193
local terms energy: -46.347828
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -7.967
flat angles P-C4'-P energy: -5.989
tors. eta vs tors. theta energy: -2.603
Dist. restrs. and SS energy: 0.045 (S_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: 243
Temperature: 1.350000
Total energy: -120.856496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.856496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.856896 (E_RNA)
where:
Base-Base interactions energy: -72.204
where: short stacking energy: -40.758
Base-Backbone interact. energy: -0.086
local terms energy: -48.567139
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -9.191
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: -1.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -202.725861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.725861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.799814 (E_RNA)
where:
Base-Base interactions energy: -119.466
where: short stacking energy: -70.379
Base-Backbone interact. energy: -0.002
local terms energy: -83.331294
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -18.256
flat angles P-C4'-P energy: -13.332
tors. eta vs tors. theta energy: -18.646
Dist. restrs. and SS energy: 0.074 (S_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: 244
Temperature: 0.950000
Total energy: -204.618941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.618941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.832616 (E_RNA)
where:
Base-Base interactions energy: -126.923
where: short stacking energy: -77.197
Base-Backbone interact. energy: -0.006
local terms energy: -77.903612
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -20.719
Dist. restrs. and SS energy: 0.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -168.567063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.567063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.233363 (E_RNA)
where:
Base-Base interactions energy: -92.701
where: short stacking energy: -56.354
Base-Backbone interact. energy: 0.565
local terms energy: -77.097827
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -15.915
Dist. restrs. and SS energy: 0.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -171.955080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.955080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.008178 (E_RNA)
where:
Base-Base interactions energy: -101.873
where: short stacking energy: -57.997
Base-Backbone interact. energy: 1.198
local terms energy: -71.332564
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -12.550
Dist. restrs. and SS energy: 0.053 (S_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: 244
Temperature: 1.100000
Total energy: -162.287070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.287070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.287070 (E_RNA)
where:
Base-Base interactions energy: -99.718
where: short stacking energy: -57.012
Base-Backbone interact. energy: -0.467
local terms energy: -62.102684
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -9.169
flat angles P-C4'-P energy: -7.627
tors. eta vs tors. theta energy: -15.491
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: 244
Temperature: 1.150000
Total energy: -147.846979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.846979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.846979 (E_RNA)
where:
Base-Base interactions energy: -78.420
where: short stacking energy: -42.152
Base-Backbone interact. energy: -0.122
local terms energy: -69.305552
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -11.099
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -135.538644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.538644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.538644 (E_RNA)
where:
Base-Base interactions energy: -68.856
where: short stacking energy: -38.957
Base-Backbone interact. energy: -0.804
local terms energy: -65.878006
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -11.395
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: 8
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -137.734676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.734676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.984293 (E_RNA)
where:
Base-Base interactions energy: -77.963
where: short stacking energy: -37.121
Base-Backbone interact. energy: -0.723
local terms energy: -59.297720
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -8.693
Dist. restrs. and SS energy: 0.250 (S_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: 244
Temperature: 1.300000
Total energy: -127.947226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.947226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.947226 (E_RNA)
where:
Base-Base interactions energy: -69.974
where: short stacking energy: -38.669
Base-Backbone interact. energy: -1.247
local terms energy: -56.725748
where:
bonds (distance) C4'-P energy: -17.662
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -10.380
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -5.047
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: 10
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -112.688985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.688985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.709995 (E_RNA)
where:
Base-Base interactions energy: -59.977
where: short stacking energy: -34.288
Base-Backbone interact. energy: -0.134
local terms energy: -52.598217
where:
bonds (distance) C4'-P energy: -13.703
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -3.938
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -196.598910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.598910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.669729 (E_RNA)
where:
Base-Base interactions energy: -119.435
where: short stacking energy: -74.949
Base-Backbone interact. energy: -0.029
local terms energy: -77.205909
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -23.306
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -172.483839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.483839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.538069 (E_RNA)
where:
Base-Base interactions energy: -106.081
where: short stacking energy: -58.311
Base-Backbone interact. energy: 0.140
local terms energy: -66.597308
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -11.533
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -14.304
Dist. restrs. and SS energy: 0.054 (S_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: 245
Temperature: 1.000000
Total energy: -192.572569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.572569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.572569 (E_RNA)
where:
Base-Base interactions energy: -115.392
where: short stacking energy: -66.096
Base-Backbone interact. energy: -0.018
local terms energy: -77.163040
where:
bonds (distance) C4'-P energy: -16.050
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -17.537
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -17.313
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: 7
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -173.073277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.073277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.553925 (E_RNA)
where:
Base-Base interactions energy: -111.412
where: short stacking energy: -57.948
Base-Backbone interact. energy: -1.080
local terms energy: -61.062311
where:
bonds (distance) C4'-P energy: -9.780
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -13.420
Dist. restrs. and SS energy: 0.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -163.128731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.128731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.128731 (E_RNA)
where:
Base-Base interactions energy: -94.293
where: short stacking energy: -49.036
Base-Backbone interact. energy: -0.001
local terms energy: -68.833936
where:
bonds (distance) C4'-P energy: -8.579
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -14.166
tors. eta vs tors. theta energy: -14.650
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -165.339421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.339421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.339421 (E_RNA)
where:
Base-Base interactions energy: -88.864
where: short stacking energy: -54.330
Base-Backbone interact. energy: -0.379
local terms energy: -76.096143
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -15.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -131.505748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.505748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.542974 (E_RNA)
where:
Base-Base interactions energy: -77.475
where: short stacking energy: -40.904
Base-Backbone interact. energy: -0.103
local terms energy: -53.964869
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -10.359
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -7.222
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. 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: -141.324983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.324983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.743277 (E_RNA)
where:
Base-Base interactions energy: -87.467
where: short stacking energy: -40.135
Base-Backbone interact. energy: -0.038
local terms energy: -54.238313
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -7.620
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -6.779
tors. eta vs tors. theta energy: -7.894
Dist. restrs. and SS energy: 0.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -112.820833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.820833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.820833 (E_RNA)
where:
Base-Base interactions energy: -58.383
where: short stacking energy: -27.128
Base-Backbone interact. energy: -0.406
local terms energy: -54.031614
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -15.221
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -1.652
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -133.116885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.116885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.116885 (E_RNA)
where:
Base-Base interactions energy: -70.538
where: short stacking energy: -41.534
Base-Backbone interact. energy: -0.169
local terms energy: -62.410091
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -10.187
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -177.908843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.908843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.001740 (E_RNA)
where:
Base-Base interactions energy: -109.292
where: short stacking energy: -52.875
Base-Backbone interact. energy: -0.094
local terms energy: -68.616295
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -13.491
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -193.688068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.688068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.254107 (E_RNA)
where:
Base-Base interactions energy: -119.084
where: short stacking energy: -70.407
Base-Backbone interact. energy: -0.004
local terms energy: -75.166116
where:
bonds (distance) C4'-P energy: -9.135
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -21.864
Dist. restrs. and SS energy: 0.566 (S_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: 246
Temperature: 1.000000
Total energy: -185.853283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.853283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.269293 (E_RNA)
where:
Base-Base interactions energy: -116.417
where: short stacking energy: -63.037
Base-Backbone interact. energy: -0.065
local terms energy: -69.787777
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -9.494
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -14.241
tors. eta vs tors. theta energy: -17.768
Dist. restrs. and SS energy: 0.416 (S_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: 246
Temperature: 1.050000
Total energy: -165.803912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.803912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.848777 (E_RNA)
where:
Base-Base interactions energy: -97.244
where: short stacking energy: -43.903
Base-Backbone interact. energy: -0.475
local terms energy: -68.129112
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -12.666
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -165.073928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.073928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.162482 (E_RNA)
where:
Base-Base interactions energy: -99.406
where: short stacking energy: -52.630
Base-Backbone interact. energy: -0.030
local terms energy: -65.725939
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: -13.932
Dist. restrs. and SS energy: 0.089 (S_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: 246
Temperature: 1.150000
Total energy: -143.951150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.951150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.973210 (E_RNA)
where:
Base-Base interactions energy: -77.471
where: short stacking energy: -40.664
Base-Backbone interact. energy: -0.716
local terms energy: -65.785444
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -12.223
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -12.207
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -144.988303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.988303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.071458 (E_RNA)
where:
Base-Base interactions energy: -84.763
where: short stacking energy: -48.715
Base-Backbone interact. energy: -0.029
local terms energy: -60.278773
where:
bonds (distance) C4'-P energy: -7.682
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -12.467
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -132.815505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.815505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.875137 (E_RNA)
where:
Base-Base interactions energy: -74.928
where: short stacking energy: -36.108
Base-Backbone interact. energy: -0.173
local terms energy: -57.773800
where:
bonds (distance) C4'-P energy: -16.763
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -2.497
Dist. restrs. and SS energy: 0.060 (S_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: 246
Temperature: 1.300000
Total energy: -146.874124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.874124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.884410 (E_RNA)
where:
Base-Base interactions energy: -87.635
where: short stacking energy: -39.541
Base-Backbone interact. energy: -0.164
local terms energy: -59.085621
where:
bonds (distance) C4'-P energy: -13.389
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -8.212
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. 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: -117.565689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.565689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.618502 (E_RNA)
where:
Base-Base interactions energy: -61.093
where: short stacking energy: -32.328
Base-Backbone interact. energy: -0.291
local terms energy: -56.234978
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -3.550
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -193.979261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.979261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.979261 (E_RNA)
where:
Base-Base interactions energy: -110.552
where: short stacking energy: -78.313
Base-Backbone interact. energy: -0.047
local terms energy: -83.380556
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -14.496
tors. eta vs tors. theta energy: -19.816
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: 6
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -193.648795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.648795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.713518 (E_RNA)
where:
Base-Base interactions energy: -113.992
where: short stacking energy: -70.663
Base-Backbone interact. energy: -0.126
local terms energy: -79.595643
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -15.472
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -12.456
tors. eta vs tors. theta energy: -18.952
Dist. restrs. and SS energy: 0.065 (S_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: 247
Temperature: 1.000000
Total energy: -200.175091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.175091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.389108 (E_RNA)
where:
Base-Base interactions energy: -125.285
where: short stacking energy: -81.125
Base-Backbone interact. energy: -0.005
local terms energy: -75.098411
where:
bonds (distance) C4'-P energy: -10.739
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -17.712
flat angles P-C4'-P energy: -13.285
tors. eta vs tors. theta energy: -20.578
Dist. restrs. and SS energy: 0.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -162.928722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.928722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.958866 (E_RNA)
where:
Base-Base interactions energy: -96.871
where: short stacking energy: -49.558
Base-Backbone interact. energy: 0.016
local terms energy: -66.104433
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -12.544
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -181.263649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.263649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.844994 (E_RNA)
where:
Base-Base interactions energy: -114.826
where: short stacking energy: -62.787
Base-Backbone interact. energy: -0.646
local terms energy: -66.372702
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -18.320
flat angles C4'-P-C4' energy: -11.484
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -12.146
Dist. restrs. and SS energy: 0.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -180.752868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.752868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.043531 (E_RNA)
where:
Base-Base interactions energy: -108.695
where: short stacking energy: -63.489
Base-Backbone interact. energy: -0.363
local terms energy: -71.985633
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -20.270
Dist. restrs. and SS energy: 0.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -128.592489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.592489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.706881 (E_RNA)
where:
Base-Base interactions energy: -70.779
where: short stacking energy: -39.855
Base-Backbone interact. energy: -0.072
local terms energy: -57.855653
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -2.157
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -136.160425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.160425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.160425 (E_RNA)
where:
Base-Base interactions energy: -82.082
where: short stacking energy: -35.723
Base-Backbone interact. energy: -0.112
local terms energy: -53.967167
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -10.796
flat angles P-C4'-P energy: -7.793
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: 9, replica: 9
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -123.381475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.381475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.381475 (E_RNA)
where:
Base-Base interactions energy: -69.907
where: short stacking energy: -31.466
Base-Backbone interact. energy: -0.098
local terms energy: -53.376642
where:
bonds (distance) C4'-P energy: -17.947
bonds (distance) P-C4' energy: -9.694
flat angles C4'-P-C4' energy: -11.232
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -6.574
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -125.898734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.898734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.899913 (E_RNA)
where:
Base-Base interactions energy: -66.489
where: short stacking energy: -38.699
Base-Backbone interact. energy: -0.457
local terms energy: -58.953355
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -4.654
Dist. restrs. and SS energy: 0.001 (S_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: 248
Temperature: 0.900000
Total energy: -192.654054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.654054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.654054 (E_RNA)
where:
Base-Base interactions energy: -108.111
where: short stacking energy: -66.495
Base-Backbone interact. energy: -0.247
local terms energy: -84.296159
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -14.506
tors. eta vs tors. theta energy: -21.045
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -186.407827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.407827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.926820 (E_RNA)
where:
Base-Base interactions energy: -115.893
where: short stacking energy: -66.839
Base-Backbone interact. energy: -0.105
local terms energy: -70.929065
where:
bonds (distance) C4'-P energy: -17.662
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -6.814
tors. eta vs tors. theta energy: -14.430
Dist. restrs. and SS energy: 0.519 (S_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: 248
Temperature: 1.000000
Total energy: -201.172240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.172240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.287641 (E_RNA)
where:
Base-Base interactions energy: -127.966
where: short stacking energy: -70.130
Base-Backbone interact. energy: -0.025
local terms energy: -73.296229
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -19.556
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -172.724225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.724225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.758991 (E_RNA)
where:
Base-Base interactions energy: -113.810
where: short stacking energy: -55.927
Base-Backbone interact. energy: 0.131
local terms energy: -59.080602
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -4.972
tors. eta vs tors. theta energy: -15.246
Dist. restrs. and SS energy: 0.035 (S_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: 248
Temperature: 1.100000
Total energy: -168.995906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.995906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.050679 (E_RNA)
where:
Base-Base interactions energy: -104.761
where: short stacking energy: -57.744
Base-Backbone interact. energy: -0.115
local terms energy: -64.175171
where:
bonds (distance) C4'-P energy: -12.511
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -10.138
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -155.550442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.550442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.550442 (E_RNA)
where:
Base-Base interactions energy: -90.857
where: short stacking energy: -57.483
Base-Backbone interact. energy: -0.030
local terms energy: -64.663783
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -5.528
tors. eta vs tors. theta energy: -14.429
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -155.091540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.091540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.091540 (E_RNA)
where:
Base-Base interactions energy: -91.225
where: short stacking energy: -54.081
Base-Backbone interact. energy: -0.768
local terms energy: -63.098369
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -10.682
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: 3
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -135.158634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.158634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.158634 (E_RNA)
where:
Base-Base interactions energy: -76.953
where: short stacking energy: -38.246
Base-Backbone interact. energy: 0.089
local terms energy: -58.294848
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -8.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -139.850984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.850984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.913830 (E_RNA)
where:
Base-Base interactions energy: -84.205
where: short stacking energy: -38.152
Base-Backbone interact. energy: 0.196
local terms energy: -55.905267
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -18.416
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -5.350
tors. eta vs tors. theta energy: -5.480
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -116.282999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.282999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.282999 (E_RNA)
where:
Base-Base interactions energy: -65.587
where: short stacking energy: -39.113
Base-Backbone interact. energy: -1.033
local terms energy: -49.663225
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -11.234
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -2.279
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -208.220417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.220417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.290304 (E_RNA)
where:
Base-Base interactions energy: -129.694
where: short stacking energy: -79.105
Base-Backbone interact. energy: -0.090
local terms energy: -78.506609
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -20.285
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -191.060996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.060996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.080345 (E_RNA)
where:
Base-Base interactions energy: -115.520
where: short stacking energy: -63.017
Base-Backbone interact. energy: -0.067
local terms energy: -75.493282
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -17.890
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -184.631838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.631838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.783249 (E_RNA)
where:
Base-Base interactions energy: -112.131
where: short stacking energy: -63.448
Base-Backbone interact. energy: -0.061
local terms energy: -72.590275
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -18.597
Dist. restrs. and SS energy: 0.151 (S_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: 249
Temperature: 1.050000
Total energy: -172.198710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.198710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.198710 (E_RNA)
where:
Base-Base interactions energy: -101.472
where: short stacking energy: -59.233
Base-Backbone interact. energy: -0.603
local terms energy: -70.123347
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -10.861
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -14.047
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: 1
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -155.075288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.075288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.225236 (E_RNA)
where:
Base-Base interactions energy: -92.126
where: short stacking energy: -49.333
Base-Backbone interact. energy: -0.219
local terms energy: -62.880257
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -10.564
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -164.070264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.070264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.136831 (E_RNA)
where:
Base-Base interactions energy: -92.890
where: short stacking energy: -50.522
Base-Backbone interact. energy: -0.024
local terms energy: -71.222901
where:
bonds (distance) C4'-P energy: -17.732
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: -12.526
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -122.471134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.471134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.471134 (E_RNA)
where:
Base-Base interactions energy: -69.585
where: short stacking energy: -36.033
Base-Backbone interact. energy: -0.459
local terms energy: -52.426856
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -3.345
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -142.795697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.795697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.803273 (E_RNA)
where:
Base-Base interactions energy: -81.805
where: short stacking energy: -42.104
Base-Backbone interact. energy: -0.184
local terms energy: -60.813827
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -9.106
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -126.034016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.034016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.052393 (E_RNA)
where:
Base-Base interactions energy: -65.258
where: short stacking energy: -34.398
Base-Backbone interact. energy: -0.215
local terms energy: -60.579158
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -13.651
tors. eta vs tors. theta energy: -2.296
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -117.014782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.014782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.014782 (E_RNA)
where:
Base-Base interactions energy: -60.230
where: short stacking energy: -30.133
Base-Backbone interact. energy: -0.492
local terms energy: -56.292657
where:
bonds (distance) C4'-P energy: -8.619
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -8.056
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -197.336675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.336675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.336675 (E_RNA)
where:
Base-Base interactions energy: -116.082
where: short stacking energy: -71.253
Base-Backbone interact. energy: -0.030
local terms energy: -81.225441
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -14.569
tors. eta vs tors. theta energy: -21.282
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: 6
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -199.960238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.960238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.960238 (E_RNA)
where:
Base-Base interactions energy: -117.414
where: short stacking energy: -75.665
Base-Backbone interact. energy: -0.062
local terms energy: -82.484296
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -18.210
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -19.023
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: 3, replica: 7
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -184.860859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.860859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.124566 (E_RNA)
where:
Base-Base interactions energy: -111.522
where: short stacking energy: -66.472
Base-Backbone interact. energy: -0.073
local terms energy: -73.528975
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -17.562
Dist. restrs. and SS energy: 0.264 (S_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: 250
Temperature: 1.050000
Total energy: -149.590535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.590535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.594177 (E_RNA)
where:
Base-Base interactions energy: -88.659
where: short stacking energy: -45.388
Base-Backbone interact. energy: -0.617
local terms energy: -60.318512
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -2.672
tors. eta vs tors. theta energy: -11.556
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -150.051940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.051940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.149426 (E_RNA)
where:
Base-Base interactions energy: -83.694
where: short stacking energy: -43.447
Base-Backbone interact. energy: -0.037
local terms energy: -66.417812
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -10.617
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -14.140
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -158.068451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.068451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.271725 (E_RNA)
where:
Base-Base interactions energy: -92.190
where: short stacking energy: -52.875
Base-Backbone interact. energy: -0.131
local terms energy: -65.950702
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -10.735
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -12.996
Dist. restrs. and SS energy: 0.203 (S_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: 250
Temperature: 1.200000
Total energy: -150.338787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.338787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.377449 (E_RNA)
where:
Base-Base interactions energy: -86.840
where: short stacking energy: -43.683
Base-Backbone interact. energy: -0.491
local terms energy: -63.046798
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -11.996
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -10.918
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. 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: -140.936633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.936633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.343671 (E_RNA)
where:
Base-Base interactions energy: -85.737
where: short stacking energy: -39.574
Base-Backbone interact. energy: -0.356
local terms energy: -55.250668
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -7.477
Dist. restrs. and SS energy: 0.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -143.004582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.004582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.004582 (E_RNA)
where:
Base-Base interactions energy: -77.274
where: short stacking energy: -33.089
Base-Backbone interact. energy: -0.257
local terms energy: -65.473649
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -16.996
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -6.968
tors. eta vs tors. theta energy: -11.662
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -108.174031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.174031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.183008 (E_RNA)
where:
Base-Base interactions energy: -54.173
where: short stacking energy: -20.946
Base-Backbone interact. energy: 0.204
local terms energy: -54.213512
where:
bonds (distance) C4'-P energy: -16.125
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -0.674
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -195.874572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.874572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.891795 (E_RNA)
where:
Base-Base interactions energy: -113.886
where: short stacking energy: -71.279
Base-Backbone interact. energy: -0.008
local terms energy: -81.998031
where:
bonds (distance) C4'-P energy: -18.418
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -20.543
Dist. restrs. and SS energy: 0.017 (S_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: 251
Temperature: 0.950000
Total energy: -184.851871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.851871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.158542 (E_RNA)
where:
Base-Base interactions energy: -103.790
where: short stacking energy: -60.085
Base-Backbone interact. energy: -0.015
local terms energy: -81.353712
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -19.834
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -180.624334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.624334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.883716 (E_RNA)
where:
Base-Base interactions energy: -110.665
where: short stacking energy: -64.681
Base-Backbone interact. energy: -0.196
local terms energy: -70.023328
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -11.851
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -13.149
tors. eta vs tors. theta energy: -18.675
Dist. restrs. and SS energy: 0.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -154.268007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.268007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.268007 (E_RNA)
where:
Base-Base interactions energy: -85.397
where: short stacking energy: -54.834
Base-Backbone interact. energy: -0.183
local terms energy: -68.687938
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -11.976
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: 2
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -148.930192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.930192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.376969 (E_RNA)
where:
Base-Base interactions energy: -84.574
where: short stacking energy: -42.815
Base-Backbone interact. energy: -0.276
local terms energy: -64.527448
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -4.329
Dist. restrs. and SS energy: 0.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -145.394472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.394472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.397591 (E_RNA)
where:
Base-Base interactions energy: -81.070
where: short stacking energy: -43.095
Base-Backbone interact. energy: -0.184
local terms energy: -64.143517
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -6.970
tors. eta vs tors. theta energy: -8.797
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -135.089111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.089111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.104844 (E_RNA)
where:
Base-Base interactions energy: -75.286
where: short stacking energy: -45.879
Base-Backbone interact. energy: -0.037
local terms energy: -59.781048
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -8.930
Dist. restrs. and SS energy: 0.016 (S_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: 251
Temperature: 1.250000
Total energy: -129.666157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.666157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.681440 (E_RNA)
where:
Base-Base interactions energy: -79.353
where: short stacking energy: -47.861
Base-Backbone interact. energy: -0.046
local terms energy: -50.282557
where:
bonds (distance) C4'-P energy: -6.343
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -10.851
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -10.650
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -132.201265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.201265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.430072 (E_RNA)
where:
Base-Base interactions energy: -71.949
where: short stacking energy: -36.931
Base-Backbone interact. energy: -0.278
local terms energy: -60.203404
where:
bonds (distance) C4'-P energy: -18.138
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -5.876
Dist. restrs. and SS energy: 0.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -126.179508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.179508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.179508 (E_RNA)
where:
Base-Base interactions energy: -85.363
where: short stacking energy: -32.105
Base-Backbone interact. energy: -0.216
local terms energy: -40.600543
where:
bonds (distance) C4'-P energy: -4.931
bonds (distance) P-C4' energy: -17.310
flat angles C4'-P-C4' energy: -5.358
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -2.124
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: 5
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -199.423563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.423563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.797854 (E_RNA)
where:
Base-Base interactions energy: -121.130
where: short stacking energy: -65.924
Base-Backbone interact. energy: -0.016
local terms energy: -78.651699
where:
bonds (distance) C4'-P energy: -16.490
bonds (distance) P-C4' energy: -17.833
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -19.132
Dist. restrs. and SS energy: 0.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -190.200015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.200015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.220087 (E_RNA)
where:
Base-Base interactions energy: -115.457
where: short stacking energy: -58.568
Base-Backbone interact. energy: -0.293
local terms energy: -74.470254
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -12.750
tors. eta vs tors. theta energy: -18.323
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -181.856986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.856986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.875656 (E_RNA)
where:
Base-Base interactions energy: -107.333
where: short stacking energy: -56.636
Base-Backbone interact. energy: -0.135
local terms energy: -74.407406
where:
bonds (distance) C4'-P energy: -17.177
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -14.638
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -164.393037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.393037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.650351 (E_RNA)
where:
Base-Base interactions energy: -102.759
where: short stacking energy: -61.633
Base-Backbone interact. energy: -0.126
local terms energy: -61.765557
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -10.911
flat angles C4'-P-C4' energy: -9.771
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -17.025
Dist. restrs. and SS energy: 0.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -139.388038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.388038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.388415 (E_RNA)
where:
Base-Base interactions energy: -77.502
where: short stacking energy: -43.702
Base-Backbone interact. energy: -0.145
local terms energy: -61.741996
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -6.717
tors. eta vs tors. theta energy: -8.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -142.708543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.708543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.708543 (E_RNA)
where:
Base-Base interactions energy: -75.716
where: short stacking energy: -42.275
Base-Backbone interact. energy: -0.893
local terms energy: -66.099780
where:
bonds (distance) C4'-P energy: -16.809
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -8.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -159.894493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.894493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.409965 (E_RNA)
where:
Base-Base interactions energy: -93.839
where: short stacking energy: -50.656
Base-Backbone interact. energy: -0.013
local terms energy: -66.558408
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -6.811
tors. eta vs tors. theta energy: -12.432
Dist. restrs. and SS energy: 0.515 (S_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: 252
Temperature: 1.250000
Total energy: -138.276941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.276941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.281307 (E_RNA)
where:
Base-Base interactions energy: -81.592
where: short stacking energy: -53.528
Base-Backbone interact. energy: -0.056
local terms energy: -56.632676
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -9.699
flat angles C4'-P-C4' energy: -11.410
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -11.923
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -125.326910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.326910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.366684 (E_RNA)
where:
Base-Base interactions energy: -72.168
where: short stacking energy: -35.994
Base-Backbone interact. energy: -0.021
local terms energy: -53.177638
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -5.469
Dist. restrs. and SS energy: 0.040 (S_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: 252
Temperature: 1.350000
Total energy: -125.216310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.216310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.408601 (E_RNA)
where:
Base-Base interactions energy: -77.059
where: short stacking energy: -46.144
Base-Backbone interact. energy: -0.044
local terms energy: -49.305186
where:
bonds (distance) C4'-P energy: -8.923
bonds (distance) P-C4' energy: -11.125
flat angles C4'-P-C4' energy: -10.492
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -11.714
Dist. restrs. and SS energy: 1.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -199.820718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.820718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.820718 (E_RNA)
where:
Base-Base interactions energy: -114.900
where: short stacking energy: -66.992
Base-Backbone interact. energy: -0.219
local terms energy: -84.701501
where:
bonds (distance) C4'-P energy: -17.455
bonds (distance) P-C4' energy: -18.014
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -19.491
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -164.064993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.064993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.073424 (E_RNA)
where:
Base-Base interactions energy: -93.699
where: short stacking energy: -46.682
Base-Backbone interact. energy: -0.333
local terms energy: -70.042046
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -12.244
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -170.620104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.620104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.932276 (E_RNA)
where:
Base-Base interactions energy: -94.387
where: short stacking energy: -54.623
Base-Backbone interact. energy: -0.007
local terms energy: -76.537329
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -14.852
Dist. restrs. and SS energy: 0.312 (S_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: 253
Temperature: 1.050000
Total energy: -171.602133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.602133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.602133 (E_RNA)
where:
Base-Base interactions energy: -109.312
where: short stacking energy: -55.269
Base-Backbone interact. energy: -0.987
local terms energy: -61.302880
where:
bonds (distance) C4'-P energy: -8.611
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -14.011
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -168.714249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.714249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.766664 (E_RNA)
where:
Base-Base interactions energy: -99.934
where: short stacking energy: -61.448
Base-Backbone interact. energy: -0.110
local terms energy: -68.723214
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -12.766
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -13.463
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -171.440236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.440236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.166467 (E_RNA)
where:
Base-Base interactions energy: -101.548
where: short stacking energy: -57.331
Base-Backbone interact. energy: 1.238
local terms energy: -71.856282
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -7.724
tors. eta vs tors. theta energy: -17.858
Dist. restrs. and SS energy: 0.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -154.390220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.390220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.429596 (E_RNA)
where:
Base-Base interactions energy: -91.514
where: short stacking energy: -48.104
Base-Backbone interact. energy: -0.027
local terms energy: -62.889009
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -10.430
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -11.809
Dist. restrs. and SS energy: 0.039 (S_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: 253
Temperature: 1.250000
Total energy: -130.055500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.055500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.081351 (E_RNA)
where:
Base-Base interactions energy: -73.466
where: short stacking energy: -43.688
Base-Backbone interact. energy: -0.613
local terms energy: -56.003111
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -8.555
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -8.219
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -121.856602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.856602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.931268 (E_RNA)
where:
Base-Base interactions energy: -76.457
where: short stacking energy: -44.355
Base-Backbone interact. energy: 8.338
local terms energy: -53.811932
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -10.127
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -8.756
Dist. restrs. and SS energy: 0.075 (S_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: 253
Temperature: 1.350000
Total energy: -113.705186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.705186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.334378 (E_RNA)
where:
Base-Base interactions energy: -69.818
where: short stacking energy: -29.679
Base-Backbone interact. energy: -0.612
local terms energy: -43.904973
where:
bonds (distance) C4'-P energy: -12.077
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -8.591
flat angles P-C4'-P energy: -5.536
tors. eta vs tors. theta energy: -4.262
Dist. restrs. and SS energy: 0.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -211.305015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.305015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.305015 (E_RNA)
where:
Base-Base interactions energy: -129.863
where: short stacking energy: -70.838
Base-Backbone interact. energy: -0.097
local terms energy: -81.345241
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -12.061
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: 2, replica: 1
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -187.462687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.462687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.462687 (E_RNA)
where:
Base-Base interactions energy: -120.379
where: short stacking energy: -71.715
Base-Backbone interact. energy: -0.126
local terms energy: -66.957817
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -10.569
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -18.884
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: 6
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -168.178197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.178197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.178197 (E_RNA)
where:
Base-Base interactions energy: -99.906
where: short stacking energy: -63.060
Base-Backbone interact. energy: -0.031
local terms energy: -68.241576
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -10.688
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -13.160
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -179.207526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.207526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.839795 (E_RNA)
where:
Base-Base interactions energy: -104.737
where: short stacking energy: -60.622
Base-Backbone interact. energy: -0.089
local terms energy: -75.014489
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -17.183
Dist. restrs. and SS energy: 0.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -155.205307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.205307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.793669 (E_RNA)
where:
Base-Base interactions energy: -95.299
where: short stacking energy: -57.635
Base-Backbone interact. energy: -0.113
local terms energy: -60.382603
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -10.543
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -12.736
Dist. restrs. and SS energy: 0.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -159.842898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.842898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.263652 (E_RNA)
where:
Base-Base interactions energy: -101.022
where: short stacking energy: -58.550
Base-Backbone interact. energy: -0.081
local terms energy: -59.160240
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -4.134
tors. eta vs tors. theta energy: -10.178
Dist. restrs. and SS energy: 0.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -129.249781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.249781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.266272 (E_RNA)
where:
Base-Base interactions energy: -73.884
where: short stacking energy: -43.631
Base-Backbone interact. energy: 0.525
local terms energy: -55.907183
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -3.197
tors. eta vs tors. theta energy: -9.026
Dist. restrs. and SS energy: 0.016 (S_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: 254
Temperature: 1.250000
Total energy: -133.921725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.921725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.941088 (E_RNA)
where:
Base-Base interactions energy: -71.046
where: short stacking energy: -45.107
Base-Backbone interact. energy: -0.260
local terms energy: -62.635283
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -4.129
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -143.126524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.126524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.237650 (E_RNA)
where:
Base-Base interactions energy: -91.926
where: short stacking energy: -41.825
Base-Backbone interact. energy: -0.299
local terms energy: -51.012464
where:
bonds (distance) C4'-P energy: -8.993
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -5.177
tors. eta vs tors. theta energy: -9.561
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -128.320305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.320305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.386298 (E_RNA)
where:
Base-Base interactions energy: -76.654
where: short stacking energy: -40.841
Base-Backbone interact. energy: -0.079
local terms energy: -51.652835
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -9.369
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: -6.196
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -204.116847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.116847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.347404 (E_RNA)
where:
Base-Base interactions energy: -125.258
where: short stacking energy: -75.055
Base-Backbone interact. energy: -0.104
local terms energy: -78.985799
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -22.939
Dist. restrs. and SS energy: 0.231 (S_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: 255
Temperature: 0.950000
Total energy: -184.465438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.465438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.533487 (E_RNA)
where:
Base-Base interactions energy: -116.587
where: short stacking energy: -68.508
Base-Backbone interact. energy: -0.020
local terms energy: -67.926674
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -6.046
tors. eta vs tors. theta energy: -15.452
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -167.619655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.619655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.798038 (E_RNA)
where:
Base-Base interactions energy: -98.293
where: short stacking energy: -53.013
Base-Backbone interact. energy: -0.211
local terms energy: -69.293820
where:
bonds (distance) C4'-P energy: -16.796
bonds (distance) P-C4' energy: -12.295
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -10.247
Dist. restrs. and SS energy: 0.178 (S_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: 255
Temperature: 1.050000
Total energy: -182.022674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.022674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.105748 (E_RNA)
where:
Base-Base interactions energy: -108.092
where: short stacking energy: -63.204
Base-Backbone interact. energy: -0.350
local terms energy: -73.663808
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -13.413
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -16.642
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -174.641349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.641349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.102377 (E_RNA)
where:
Base-Base interactions energy: -103.428
where: short stacking energy: -52.608
Base-Backbone interact. energy: -0.751
local terms energy: -70.922897
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -19.132
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -14.459
Dist. restrs. and SS energy: 0.461 (S_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: 255
Temperature: 1.150000
Total energy: -151.080084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.080084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.158828 (E_RNA)
where:
Base-Base interactions energy: -88.675
where: short stacking energy: -40.683
Base-Backbone interact. energy: -0.294
local terms energy: -62.189676
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -20.290
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -6.800
Dist. restrs. and SS energy: 0.079 (S_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: 255
Temperature: 1.200000
Total energy: -159.005585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.005585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.106016 (E_RNA)
where:
Base-Base interactions energy: -97.434
where: short stacking energy: -45.130
Base-Backbone interact. energy: -0.060
local terms energy: -61.611515
where:
bonds (distance) C4'-P energy: -17.690
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -4.655
tors. eta vs tors. theta energy: -8.687
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. 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: -132.868637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.868637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.868637 (E_RNA)
where:
Base-Base interactions energy: -67.012
where: short stacking energy: -25.058
Base-Backbone interact. energy: -0.212
local terms energy: -65.644715
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -6.645
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -130.086778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.086778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.086778 (E_RNA)
where:
Base-Base interactions energy: -69.341
where: short stacking energy: -34.530
Base-Backbone interact. energy: -0.451
local terms energy: -60.295455
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -9.926
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -8.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -123.753204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.753204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.753204 (E_RNA)
where:
Base-Base interactions energy: -76.252
where: short stacking energy: -32.550
Base-Backbone interact. energy: -0.467
local terms energy: -47.034383
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -5.171
tors. eta vs tors. theta energy: -3.194
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: 6
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -199.928160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.928160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.021041 (E_RNA)
where:
Base-Base interactions energy: -122.100
where: short stacking energy: -74.522
Base-Backbone interact. energy: -0.213
local terms energy: -77.708241
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -17.514
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -20.082
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -190.194391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.194391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.194391 (E_RNA)
where:
Base-Base interactions energy: -114.618
where: short stacking energy: -66.232
Base-Backbone interact. energy: -0.606
local terms energy: -74.970353
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -20.584
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -176.817719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.817719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.817719 (E_RNA)
where:
Base-Base interactions energy: -105.928
where: short stacking energy: -61.018
Base-Backbone interact. energy: -0.774
local terms energy: -70.115629
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -18.596
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -189.541716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.541716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.541716 (E_RNA)
where:
Base-Base interactions energy: -111.195
where: short stacking energy: -67.254
Base-Backbone interact. energy: -0.121
local terms energy: -78.224984
where:
bonds (distance) C4'-P energy: -18.085
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -15.517
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: 2
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -157.367833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.367833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.482887 (E_RNA)
where:
Base-Base interactions energy: -92.335
where: short stacking energy: -46.586
Base-Backbone interact. energy: -0.246
local terms energy: -64.902373
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -13.924
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -153.626372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.626372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.641388 (E_RNA)
where:
Base-Base interactions energy: -91.508
where: short stacking energy: -49.598
Base-Backbone interact. energy: -0.139
local terms energy: -61.993875
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -8.867
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -159.492220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.492220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.558856 (E_RNA)
where:
Base-Base interactions energy: -95.539
where: short stacking energy: -38.384
Base-Backbone interact. energy: -0.640
local terms energy: -63.379859
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -10.821
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -139.918500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.918500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.929561 (E_RNA)
where:
Base-Base interactions energy: -84.101
where: short stacking energy: -43.923
Base-Backbone interact. energy: 0.901
local terms energy: -56.730007
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -3.902
tors. eta vs tors. theta energy: -8.259
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -129.490743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.490743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.490743 (E_RNA)
where:
Base-Base interactions energy: -76.380
where: short stacking energy: -40.002
Base-Backbone interact. energy: -0.217
local terms energy: -52.894016
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -5.906
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -10.186
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: 3
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -135.705986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.705986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.726841 (E_RNA)
where:
Base-Base interactions energy: -77.193
where: short stacking energy: -43.927
Base-Backbone interact. energy: -0.090
local terms energy: -58.443464
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -10.379
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -6.916
Dist. restrs. and SS energy: 0.021 (S_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: 257
Temperature: 0.900000
Total energy: -200.165460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.165460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.342645 (E_RNA)
where:
Base-Base interactions energy: -123.831
where: short stacking energy: -68.944
Base-Backbone interact. energy: -0.141
local terms energy: -76.370980
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -19.497
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -184.420266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.420266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.447422 (E_RNA)
where:
Base-Base interactions energy: -105.389
where: short stacking energy: -59.511
Base-Backbone interact. energy: -0.026
local terms energy: -79.032982
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -19.582
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -16.389
Dist. restrs. and SS energy: 0.027 (S_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: 257
Temperature: 1.000000
Total energy: -182.773533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.773533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.791006 (E_RNA)
where:
Base-Base interactions energy: -105.414
where: short stacking energy: -56.355
Base-Backbone interact. energy: -0.654
local terms energy: -76.722914
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -16.083
Dist. restrs. and SS energy: 0.017 (S_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: 257
Temperature: 1.050000
Total energy: -179.101506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.101506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.313851 (E_RNA)
where:
Base-Base interactions energy: -108.910
where: short stacking energy: -63.241
Base-Backbone interact. energy: -0.307
local terms energy: -70.097139
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -14.123
Dist. restrs. and SS energy: 0.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -165.724154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.724154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.724154 (E_RNA)
where:
Base-Base interactions energy: -96.231
where: short stacking energy: -59.527
Base-Backbone interact. energy: -0.040
local terms energy: -69.453020
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -15.327
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -154.031870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.031870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.031870 (E_RNA)
where:
Base-Base interactions energy: -86.413
where: short stacking energy: -46.559
Base-Backbone interact. energy: -0.335
local terms energy: -67.284152
where:
bonds (distance) C4'-P energy: -9.026
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -13.664
tors. eta vs tors. theta energy: -14.923
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -153.505298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.505298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.507299 (E_RNA)
where:
Base-Base interactions energy: -88.292
where: short stacking energy: -53.427
Base-Backbone interact. energy: -0.047
local terms energy: -65.167650
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -9.822
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -142.275336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.275336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.345032 (E_RNA)
where:
Base-Base interactions energy: -84.550
where: short stacking energy: -46.401
Base-Backbone interact. energy: -0.287
local terms energy: -57.508515
where:
bonds (distance) C4'-P energy: -8.251
bonds (distance) P-C4' energy: -14.354
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -9.844
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -121.544630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.544630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.604361 (E_RNA)
where:
Base-Base interactions energy: -72.227
where: short stacking energy: -40.466
Base-Backbone interact. energy: -0.266
local terms energy: -49.111011
where:
bonds (distance) C4'-P energy: -10.413
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -0.786
tors. eta vs tors. theta energy: -10.749
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -140.732307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.732307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.864848 (E_RNA)
where:
Base-Base interactions energy: -83.535
where: short stacking energy: -42.490
Base-Backbone interact. energy: -0.069
local terms energy: -57.260457
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -3.785
Dist. restrs. and SS energy: 0.133 (S_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: 258
Temperature: 0.900000
Total energy: -197.173550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.173550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.531659 (E_RNA)
where:
Base-Base interactions energy: -119.133
where: short stacking energy: -61.505
Base-Backbone interact. energy: -0.101
local terms energy: -78.297464
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -17.825
Dist. restrs. and SS energy: 0.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -191.265373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.265373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.439558 (E_RNA)
where:
Base-Base interactions energy: -111.809
where: short stacking energy: -65.417
Base-Backbone interact. energy: -0.042
local terms energy: -79.588885
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -14.501
tors. eta vs tors. theta energy: -19.836
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -183.218136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.218136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.540446 (E_RNA)
where:
Base-Base interactions energy: -109.386
where: short stacking energy: -66.020
Base-Backbone interact. energy: -0.039
local terms energy: -74.115221
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -20.324
Dist. restrs. and SS energy: 0.322 (S_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: 258
Temperature: 1.050000
Total energy: -172.165463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.165463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.335706 (E_RNA)
where:
Base-Base interactions energy: -111.004
where: short stacking energy: -56.906
Base-Backbone interact. energy: -0.020
local terms energy: -61.311931
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -10.548
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -11.995
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -169.550686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.550686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.550686 (E_RNA)
where:
Base-Base interactions energy: -104.592
where: short stacking energy: -56.666
Base-Backbone interact. energy: -0.045
local terms energy: -64.913708
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -16.699
flat angles C4'-P-C4' energy: -10.720
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -15.145
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -150.134839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.134839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.148903 (E_RNA)
where:
Base-Base interactions energy: -90.398
where: short stacking energy: -53.045
Base-Backbone interact. energy: -0.774
local terms energy: -58.977029
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -10.397
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -10.316
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -138.768431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.768431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.768431 (E_RNA)
where:
Base-Base interactions energy: -78.071
where: short stacking energy: -40.861
Base-Backbone interact. energy: -1.377
local terms energy: -59.321176
where:
bonds (distance) C4'-P energy: -17.029
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -5.040
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -138.241381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.241381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.314844 (E_RNA)
where:
Base-Base interactions energy: -74.426
where: short stacking energy: -32.918
Base-Backbone interact. energy: 1.287
local terms energy: -65.176568
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -9.248
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -131.864043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.864043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.888975 (E_RNA)
where:
Base-Base interactions energy: -76.066
where: short stacking energy: -47.538
Base-Backbone interact. energy: -0.097
local terms energy: -55.725760
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -15.428
flat angles C4'-P-C4' energy: -11.006
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -8.661
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -113.829647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.829647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.941964 (E_RNA)
where:
Base-Base interactions energy: -65.801
where: short stacking energy: -34.799
Base-Backbone interact. energy: 2.619
local terms energy: -50.759781
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -11.741
flat angles C4'-P-C4' energy: -11.416
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -4.516
Dist. restrs. and SS energy: 0.112 (S_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: 259
Temperature: 0.900000
Total energy: -198.814990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.814990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.859691 (E_RNA)
where:
Base-Base interactions energy: -122.068
where: short stacking energy: -71.145
Base-Backbone interact. energy: -0.115
local terms energy: -76.676814
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -11.794
flat angles C4'-P-C4' energy: -18.781
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -19.987
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -195.297840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.297840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.540923 (E_RNA)
where:
Base-Base interactions energy: -115.186
where: short stacking energy: -67.023
Base-Backbone interact. energy: -0.449
local terms energy: -79.905731
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -18.410
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -18.894
Dist. restrs. and SS energy: 0.243 (S_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: 259
Temperature: 1.000000
Total energy: -181.312123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.312123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.312123 (E_RNA)
where:
Base-Base interactions energy: -109.139
where: short stacking energy: -64.328
Base-Backbone interact. energy: -0.009
local terms energy: -72.164282
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -19.339
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -171.450575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.450575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.824310 (E_RNA)
where:
Base-Base interactions energy: -106.462
where: short stacking energy: -53.928
Base-Backbone interact. energy: -0.383
local terms energy: -64.979376
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -15.548
Dist. restrs. and SS energy: 0.374 (S_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: -155.334348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.334348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.334348 (E_RNA)
where:
Base-Base interactions energy: -86.840
where: short stacking energy: -52.493
Base-Backbone interact. energy: -1.286
local terms energy: -67.208900
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -12.769
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -150.199910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.199910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.199910 (E_RNA)
where:
Base-Base interactions energy: -89.993
where: short stacking energy: -45.052
Base-Backbone interact. energy: 0.847
local terms energy: -61.054361
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -10.253
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -15.372
tors. eta vs tors. theta energy: -11.375
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: 1
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -157.383246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.383246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.383246 (E_RNA)
where:
Base-Base interactions energy: -89.366
where: short stacking energy: -54.096
Base-Backbone interact. energy: -0.008
local terms energy: -68.008316
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -12.763
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -17.366
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -142.406187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.406187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.433159 (E_RNA)
where:
Base-Base interactions energy: -82.570
where: short stacking energy: -48.790
Base-Backbone interact. energy: -0.017
local terms energy: -59.846183
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -10.972
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -9.421
Dist. restrs. and SS energy: 0.027 (S_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: 259
Temperature: 1.300000
Total energy: -107.985880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.985880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.985880 (E_RNA)
where:
Base-Base interactions energy: -59.013
where: short stacking energy: -29.740
Base-Backbone interact. energy: -0.476
local terms energy: -48.497228
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -10.897
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: 0.542
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: 9
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -106.281026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.281026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.329194 (E_RNA)
where:
Base-Base interactions energy: -65.735
where: short stacking energy: -29.027
Base-Backbone interact. energy: -0.454
local terms energy: -40.140012
where:
bonds (distance) C4'-P energy: -10.566
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -8.007
flat angles P-C4'-P energy: -4.529
tors. eta vs tors. theta energy: -4.135
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -198.444760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.444760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.888726 (E_RNA)
where:
Base-Base interactions energy: -115.427
where: short stacking energy: -67.648
Base-Backbone interact. energy: -0.017
local terms energy: -83.445225
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -13.931
tors. eta vs tors. theta energy: -20.391
Dist. restrs. and SS energy: 0.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -192.740762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.740762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.760320 (E_RNA)
where:
Base-Base interactions energy: -112.129
where: short stacking energy: -74.135
Base-Backbone interact. energy: -0.125
local terms energy: -80.506216
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -19.659
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -190.809063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.809063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.867052 (E_RNA)
where:
Base-Base interactions energy: -113.056
where: short stacking energy: -61.391
Base-Backbone interact. energy: -0.050
local terms energy: -77.761230
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -12.857
tors. eta vs tors. theta energy: -20.097
Dist. restrs. and SS energy: 0.058 (S_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: 260
Temperature: 1.050000
Total energy: -179.194763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.194763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.201461 (E_RNA)
where:
Base-Base interactions energy: -104.529
where: short stacking energy: -59.678
Base-Backbone interact. energy: -0.147
local terms energy: -74.526199
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -18.216
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -169.396008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.396008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.437924 (E_RNA)
where:
Base-Base interactions energy: -101.540
where: short stacking energy: -52.240
Base-Backbone interact. energy: -0.129
local terms energy: -67.768484
where:
bonds (distance) C4'-P energy: -12.723
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -13.420
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -156.979934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.979934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.996130 (E_RNA)
where:
Base-Base interactions energy: -93.888
where: short stacking energy: -48.827
Base-Backbone interact. energy: -0.191
local terms energy: -62.916938
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -12.166
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -179.111743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.111743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.140102 (E_RNA)
where:
Base-Base interactions energy: -104.538
where: short stacking energy: -57.943
Base-Backbone interact. energy: -0.007
local terms energy: -74.595268
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -19.294
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -135.263200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.263200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.266480 (E_RNA)
where:
Base-Base interactions energy: -77.459
where: short stacking energy: -46.984
Base-Backbone interact. energy: -0.007
local terms energy: -57.799651
where:
bonds (distance) C4'-P energy: -18.224
bonds (distance) P-C4' energy: -11.315
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -6.460
Dist. restrs. and SS energy: 0.003 (S_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: 260
Temperature: 1.300000
Total energy: -126.658378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.658378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.658378 (E_RNA)
where:
Base-Base interactions energy: -70.183
where: short stacking energy: -41.072
Base-Backbone interact. energy: -0.100
local terms energy: -56.375985
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -7.267
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -116.014004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.014004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.049087 (E_RNA)
where:
Base-Base interactions energy: -64.642
where: short stacking energy: -36.122
Base-Backbone interact. energy: -0.012
local terms energy: -51.394976
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -6.902
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -6.268
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -210.787980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.787980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.826855 (E_RNA)
where:
Base-Base interactions energy: -124.938
where: short stacking energy: -80.946
Base-Backbone interact. energy: -0.004
local terms energy: -85.885673
where:
bonds (distance) C4'-P energy: -16.709
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -23.151
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -194.238247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.238247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.238416 (E_RNA)
where:
Base-Base interactions energy: -119.184
where: short stacking energy: -63.537
Base-Backbone interact. energy: -0.087
local terms energy: -74.966563
where:
bonds (distance) C4'-P energy: -8.243
bonds (distance) P-C4' energy: -19.603
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -19.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -185.874217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.874217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.874217 (E_RNA)
where:
Base-Base interactions energy: -107.027
where: short stacking energy: -66.393
Base-Backbone interact. energy: -0.052
local terms energy: -78.795335
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -18.021
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -189.209782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.209782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.445555 (E_RNA)
where:
Base-Base interactions energy: -112.454
where: short stacking energy: -66.533
Base-Backbone interact. energy: -0.006
local terms energy: -76.984735
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -15.037
tors. eta vs tors. theta energy: -15.194
Dist. restrs. and SS energy: 0.236 (S_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: 261
Temperature: 1.100000
Total energy: -157.787661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.787661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.787661 (E_RNA)
where:
Base-Base interactions energy: -90.349
where: short stacking energy: -43.806
Base-Backbone interact. energy: -0.918
local terms energy: -66.520531
where:
bonds (distance) C4'-P energy: -10.885
bonds (distance) P-C4' energy: -14.012
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: -12.201
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: 5
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -144.177159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.177159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.231883 (E_RNA)
where:
Base-Base interactions energy: -78.942
where: short stacking energy: -46.364
Base-Backbone interact. energy: -1.474
local terms energy: -63.815526
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -10.137
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -134.873249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.873249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.939424 (E_RNA)
where:
Base-Base interactions energy: -86.270
where: short stacking energy: -38.543
Base-Backbone interact. energy: -0.052
local terms energy: -48.616714
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -11.685
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -2.830
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -143.311900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.311900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.462278 (E_RNA)
where:
Base-Base interactions energy: -87.961
where: short stacking energy: -45.206
Base-Backbone interact. energy: -0.076
local terms energy: -55.425646
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -9.003
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -8.648
Dist. restrs. and SS energy: 0.150 (S_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: 261
Temperature: 1.300000
Total energy: -128.933096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.933096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.935430 (E_RNA)
where:
Base-Base interactions energy: -73.324
where: short stacking energy: -41.545
Base-Backbone interact. energy: -0.095
local terms energy: -55.516325
where:
bonds (distance) C4'-P energy: -7.406
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -6.705
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -136.567409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.567409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.567409 (E_RNA)
where:
Base-Base interactions energy: -80.224
where: short stacking energy: -38.089
Base-Backbone interact. energy: 1.729
local terms energy: -58.072303
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -6.962
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -198.303013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.303013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.360216 (E_RNA)
where:
Base-Base interactions energy: -114.886
where: short stacking energy: -64.377
Base-Backbone interact. energy: 0.348
local terms energy: -83.821708
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -19.068
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -19.220
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -192.219085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.219085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.259902 (E_RNA)
where:
Base-Base interactions energy: -113.488
where: short stacking energy: -64.646
Base-Backbone interact. energy: -0.001
local terms energy: -78.770283
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -19.311
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -186.282084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.282084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.633511 (E_RNA)
where:
Base-Base interactions energy: -109.866
where: short stacking energy: -66.228
Base-Backbone interact. energy: -0.086
local terms energy: -76.681918
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -19.124
Dist. restrs. and SS energy: 0.351 (S_DIST_RNA)
chem. 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: -172.750346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.750346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.772068 (E_RNA)
where:
Base-Base interactions energy: -100.160
where: short stacking energy: -51.387
Base-Backbone interact. energy: -0.811
local terms energy: -71.800271
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -14.471
tors. eta vs tors. theta energy: -11.559
Dist. restrs. and SS energy: 0.022 (S_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: 262
Temperature: 1.100000
Total energy: -179.184954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.184954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.184954 (E_RNA)
where:
Base-Base interactions energy: -103.279
where: short stacking energy: -60.453
Base-Backbone interact. energy: -0.033
local terms energy: -75.873399
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -14.792
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -138.992759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.992759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.992759 (E_RNA)
where:
Base-Base interactions energy: -81.200
where: short stacking energy: -46.091
Base-Backbone interact. energy: -0.112
local terms energy: -57.680751
where:
bonds (distance) C4'-P energy: -6.736
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -6.672
tors. eta vs tors. theta energy: -12.641
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -143.756632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.756632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.680893 (E_RNA)
where:
Base-Base interactions energy: -80.410
where: short stacking energy: -41.998
Base-Backbone interact. energy: -0.517
local terms energy: -63.753748
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -11.665
Dist. restrs. and SS energy: 0.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -134.441117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.441117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.441117 (E_RNA)
where:
Base-Base interactions energy: -82.067
where: short stacking energy: -43.159
Base-Backbone interact. energy: -0.208
local terms energy: -52.166742
where:
bonds (distance) C4'-P energy: -7.580
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -5.110
tors. eta vs tors. theta energy: -9.083
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: 9
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -123.205310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.205310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.205310 (E_RNA)
where:
Base-Base interactions energy: -71.346
where: short stacking energy: -39.566
Base-Backbone interact. energy: -0.208
local terms energy: -51.651471
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -13.488
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -1.959
tors. eta vs tors. theta energy: -8.464
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -116.028480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.028480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.030486 (E_RNA)
where:
Base-Base interactions energy: -64.509
where: short stacking energy: -39.151
Base-Backbone interact. energy: -0.895
local terms energy: -50.626167
where:
bonds (distance) C4'-P energy: -18.287
bonds (distance) P-C4' energy: -7.474
flat angles C4'-P-C4' energy: -10.925
flat angles P-C4'-P energy: -5.556
tors. eta vs tors. theta energy: -8.384
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -188.553050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.553050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.553050 (E_RNA)
where:
Base-Base interactions energy: -109.518
where: short stacking energy: -63.587
Base-Backbone interact. energy: -0.125
local terms energy: -78.909839
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -17.915
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -19.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -190.154124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.154124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.200766 (E_RNA)
where:
Base-Base interactions energy: -112.665
where: short stacking energy: -66.464
Base-Backbone interact. energy: -0.008
local terms energy: -77.528062
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -17.317
flat angles C4'-P-C4' energy: -18.722
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -16.364
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -183.887254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.887254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.369640 (E_RNA)
where:
Base-Base interactions energy: -109.247
where: short stacking energy: -61.425
Base-Backbone interact. energy: -0.799
local terms energy: -74.323365
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -17.998
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -17.872
Dist. restrs. and SS energy: 0.482 (S_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: 263
Temperature: 1.050000
Total energy: -166.541713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.541713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.541713 (E_RNA)
where:
Base-Base interactions energy: -96.995
where: short stacking energy: -59.453
Base-Backbone interact. energy: -0.114
local terms energy: -69.433014
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -13.464
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -171.827023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.827023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.061104 (E_RNA)
where:
Base-Base interactions energy: -100.122
where: short stacking energy: -54.735
Base-Backbone interact. energy: -0.116
local terms energy: -71.822879
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -14.083
tors. eta vs tors. theta energy: -15.832
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -149.465528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.465528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.465528 (E_RNA)
where:
Base-Base interactions energy: -82.451
where: short stacking energy: -46.765
Base-Backbone interact. energy: -0.091
local terms energy: -66.923305
where:
bonds (distance) C4'-P energy: -18.593
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -8.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -124.034684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.034684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.034684 (E_RNA)
where:
Base-Base interactions energy: -74.394
where: short stacking energy: -38.745
Base-Backbone interact. energy: 1.049
local terms energy: -50.690051
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -10.380
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -7.309
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: 8, replica: 1
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -126.106393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.106393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.106393 (E_RNA)
where:
Base-Base interactions energy: -71.923
where: short stacking energy: -38.502
Base-Backbone interact. energy: -0.250
local terms energy: -53.932947
where:
bonds (distance) C4'-P energy: -10.119
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -4.637
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: 9, replica: 9
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -121.629381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.629381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.629381 (E_RNA)
where:
Base-Base interactions energy: -71.148
where: short stacking energy: -34.283
Base-Backbone interact. energy: -0.092
local terms energy: -50.389830
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -12.214
flat angles P-C4'-P energy: -6.651
tors. eta vs tors. theta energy: -1.453
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: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -102.702052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.702052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.780678 (E_RNA)
where:
Base-Base interactions energy: -54.060
where: short stacking energy: -31.882
Base-Backbone interact. energy: 0.790
local terms energy: -49.510938
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -9.018
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -2.383
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -202.395658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.395658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.418723 (E_RNA)
where:
Base-Base interactions energy: -123.480
where: short stacking energy: -71.775
Base-Backbone interact. energy: -0.033
local terms energy: -78.905148
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -15.088
tors. eta vs tors. theta energy: -17.939
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -184.369300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.369300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.369300 (E_RNA)
where:
Base-Base interactions energy: -109.930
where: short stacking energy: -64.239
Base-Backbone interact. energy: -0.326
local terms energy: -74.112607
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -21.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -180.694999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.694999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.694999 (E_RNA)
where:
Base-Base interactions energy: -107.145
where: short stacking energy: -62.645
Base-Backbone interact. energy: -0.625
local terms energy: -72.924068
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -18.406
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -157.660213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.660213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.660213 (E_RNA)
where:
Base-Base interactions energy: -90.706
where: short stacking energy: -55.638
Base-Backbone interact. energy: 1.118
local terms energy: -68.072551
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -14.574
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: 5, replica: 6
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -167.945566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.945566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.969898 (E_RNA)
where:
Base-Base interactions energy: -101.082
where: short stacking energy: -47.593
Base-Backbone interact. energy: -0.483
local terms energy: -66.405284
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -15.024
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -13.434
Dist. restrs. and SS energy: 0.024 (S_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: 264
Temperature: 1.150000
Total energy: -161.545743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.545743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.549267 (E_RNA)
where:
Base-Base interactions energy: -90.817
where: short stacking energy: -52.700
Base-Backbone interact. energy: -0.003
local terms energy: -70.729006
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -15.584
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -133.082585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.082585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.082585 (E_RNA)
where:
Base-Base interactions energy: -78.374
where: short stacking energy: -43.154
Base-Backbone interact. energy: -0.176
local terms energy: -54.532826
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -10.790
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -5.907
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: 5
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -117.662452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.662452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.667087 (E_RNA)
where:
Base-Base interactions energy: -62.329
where: short stacking energy: -27.087
Base-Backbone interact. energy: -0.136
local terms energy: -55.201399
where:
bonds (distance) C4'-P energy: -18.788
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -9.651
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -0.906
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -138.050675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.050675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.050675 (E_RNA)
where:
Base-Base interactions energy: -79.770
where: short stacking energy: -42.717
Base-Backbone interact. energy: -0.095
local terms energy: -58.185387
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -12.079
flat angles P-C4'-P energy: -3.241
tors. eta vs tors. theta energy: -10.581
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -105.562446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.562446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.578365 (E_RNA)
where:
Base-Base interactions energy: -59.760
where: short stacking energy: -39.141
Base-Backbone interact. energy: -0.472
local terms energy: -45.346446
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -7.719
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -6.709
tors. eta vs tors. theta energy: -6.888
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -186.542920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.542920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.736026 (E_RNA)
where:
Base-Base interactions energy: -106.931
where: short stacking energy: -61.954
Base-Backbone interact. energy: -0.346
local terms energy: -79.459334
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -16.518
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -19.017
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -181.224029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.224029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.846868 (E_RNA)
where:
Base-Base interactions energy: -108.676
where: short stacking energy: -64.545
Base-Backbone interact. energy: -0.732
local terms energy: -72.438408
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -15.220
Dist. restrs. and SS energy: 0.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -178.661528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.661528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.694052 (E_RNA)
where:
Base-Base interactions energy: -111.315
where: short stacking energy: -54.285
Base-Backbone interact. energy: -0.168
local terms energy: -67.211145
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -12.893
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. 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: -159.002247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.002247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.002247 (E_RNA)
where:
Base-Base interactions energy: -92.129
where: short stacking energy: -47.962
Base-Backbone interact. energy: -0.927
local terms energy: -65.946044
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -12.244
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -160.195580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.195580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.614227 (E_RNA)
where:
Base-Base interactions energy: -96.885
where: short stacking energy: -50.989
Base-Backbone interact. energy: -0.085
local terms energy: -63.644938
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -12.964
Dist. restrs. and SS energy: 0.419 (S_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: 265
Temperature: 1.150000
Total energy: -157.711709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.711709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.711709 (E_RNA)
where:
Base-Base interactions energy: -89.541
where: short stacking energy: -46.662
Base-Backbone interact. energy: -0.095
local terms energy: -68.075411
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -11.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -138.647389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.647389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.647389 (E_RNA)
where:
Base-Base interactions energy: -74.994
where: short stacking energy: -37.401
Base-Backbone interact. energy: -0.137
local terms energy: -63.516617
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -10.833
flat angles P-C4'-P energy: -14.668
tors. eta vs tors. theta energy: -7.604
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: 8, replica: 9
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -129.555482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.555482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.567860 (E_RNA)
where:
Base-Base interactions energy: -80.215
where: short stacking energy: -43.856
Base-Backbone interact. energy: -0.104
local terms energy: -49.248860
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -12.901
flat angles C4'-P-C4' energy: -11.108
flat angles P-C4'-P energy: -5.918
tors. eta vs tors. theta energy: -6.351
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -122.366449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.366449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.452678 (E_RNA)
where:
Base-Base interactions energy: -62.666
where: short stacking energy: -40.961
Base-Backbone interact. energy: -0.422
local terms energy: -59.365062
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -6.888
Dist. restrs. and SS energy: 0.086 (S_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: 265
Temperature: 1.350000
Total energy: -125.671533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.671533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.682526 (E_RNA)
where:
Base-Base interactions energy: -64.497
where: short stacking energy: -37.278
Base-Backbone interact. energy: -0.090
local terms energy: -61.095009
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -16.736
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -6.041
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -197.054369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.054369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.165617 (E_RNA)
where:
Base-Base interactions energy: -123.512
where: short stacking energy: -79.387
Base-Backbone interact. energy: -0.054
local terms energy: -73.598841
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -21.345
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -194.020659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.020659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.067107 (E_RNA)
where:
Base-Base interactions energy: -120.124
where: short stacking energy: -57.993
Base-Backbone interact. energy: -0.276
local terms energy: -73.667624
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: -14.537
Dist. restrs. and SS energy: 0.046 (S_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: 266
Temperature: 1.000000
Total energy: -170.573578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.573578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.920801 (E_RNA)
where:
Base-Base interactions energy: -97.870
where: short stacking energy: -48.113
Base-Backbone interact. energy: -1.077
local terms energy: -71.973528
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -17.834
flat angles P-C4'-P energy: -14.584
tors. eta vs tors. theta energy: -11.929
Dist. restrs. and SS energy: 0.347 (S_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: 266
Temperature: 1.050000
Total energy: -177.528859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.528859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.559883 (E_RNA)
where:
Base-Base interactions energy: -108.919
where: short stacking energy: -61.327
Base-Backbone interact. energy: 0.242
local terms energy: -68.883688
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -12.004
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -166.777425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.777425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.874213 (E_RNA)
where:
Base-Base interactions energy: -97.870
where: short stacking energy: -58.921
Base-Backbone interact. energy: -0.033
local terms energy: -68.970756
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -17.559
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -15.690
Dist. restrs. and SS energy: 0.097 (S_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: 266
Temperature: 1.150000
Total energy: -173.612657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.612657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.818647 (E_RNA)
where:
Base-Base interactions energy: -106.471
where: short stacking energy: -63.267
Base-Backbone interact. energy: -0.234
local terms energy: -67.113629
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -11.477
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -17.636
Dist. restrs. and SS energy: 0.206 (S_DIST_RNA)
chem. 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: -151.176926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.176926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.184538 (E_RNA)
where:
Base-Base interactions energy: -86.726
where: short stacking energy: -49.691
Base-Backbone interact. energy: -0.162
local terms energy: -64.295944
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -10.982
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -137.278765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.278765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.730597 (E_RNA)
where:
Base-Base interactions energy: -88.783
where: short stacking energy: -41.846
Base-Backbone interact. energy: -0.207
local terms energy: -48.740657
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -9.429
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: -3.867
Dist. restrs. and SS energy: 0.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -125.466356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.466356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.509210 (E_RNA)
where:
Base-Base interactions energy: -78.332
where: short stacking energy: -37.795
Base-Backbone interact. energy: -0.250
local terms energy: -46.927322
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -10.740
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -6.748
tors. eta vs tors. theta energy: -3.192
Dist. restrs. and SS energy: 0.043 (S_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: 266
Temperature: 1.350000
Total energy: -119.522102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.522102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.572671 (E_RNA)
where:
Base-Base interactions energy: -66.929
where: short stacking energy: -30.530
Base-Backbone interact. energy: -0.044
local terms energy: -52.599418
where:
bonds (distance) C4'-P energy: -5.656
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -7.465
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -11.625
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -197.223895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.223895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.389939 (E_RNA)
where:
Base-Base interactions energy: -119.106
where: short stacking energy: -70.009
Base-Backbone interact. energy: -0.101
local terms energy: -78.183246
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: -18.308
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -187.421113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.421113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.888035 (E_RNA)
where:
Base-Base interactions energy: -111.023
where: short stacking energy: -56.183
Base-Backbone interact. energy: -0.208
local terms energy: -76.657075
where:
bonds (distance) C4'-P energy: -17.998
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -17.781
Dist. restrs. and SS energy: 0.467 (S_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: 267
Temperature: 1.000000
Total energy: -190.697957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.697957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.713233 (E_RNA)
where:
Base-Base interactions energy: -112.022
where: short stacking energy: -74.676
Base-Backbone interact. energy: -0.029
local terms energy: -78.661958
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -16.556
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -16.718
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -165.476482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.476482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.476482 (E_RNA)
where:
Base-Base interactions energy: -99.175
where: short stacking energy: -55.520
Base-Backbone interact. energy: -0.001
local terms energy: -66.300710
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -9.361
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: 2
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -160.283425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.283425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.377523 (E_RNA)
where:
Base-Base interactions energy: -94.384
where: short stacking energy: -56.914
Base-Backbone interact. energy: 0.530
local terms energy: -66.523539
where:
bonds (distance) C4'-P energy: -12.532
bonds (distance) P-C4' energy: -13.942
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -15.066
Dist. restrs. and SS energy: 0.094 (S_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: 267
Temperature: 1.150000
Total energy: -161.851545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.851545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.874150 (E_RNA)
where:
Base-Base interactions energy: -101.887
where: short stacking energy: -58.176
Base-Backbone interact. energy: -0.151
local terms energy: -59.836261
where:
bonds (distance) C4'-P energy: -9.137
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -4.698
tors. eta vs tors. theta energy: -13.668
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. 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: -142.925164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.925164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.289545 (E_RNA)
where:
Base-Base interactions energy: -78.783
where: short stacking energy: -42.671
Base-Backbone interact. energy: -0.194
local terms energy: -64.312928
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -17.530
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -7.746
Dist. restrs. and SS energy: 0.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -138.467625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.467625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.467625 (E_RNA)
where:
Base-Base interactions energy: -78.831
where: short stacking energy: -38.842
Base-Backbone interact. energy: -0.745
local terms energy: -58.891648
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -11.258
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: 5
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -124.284191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.284191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.429619 (E_RNA)
where:
Base-Base interactions energy: -67.904
where: short stacking energy: -36.329
Base-Backbone interact. energy: -0.999
local terms energy: -55.526063
where:
bonds (distance) C4'-P energy: -10.273
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -6.025
Dist. restrs. and SS energy: 0.145 (S_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: 267
Temperature: 1.350000
Total energy: -123.511290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.511290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.520642 (E_RNA)
where:
Base-Base interactions energy: -67.748
where: short stacking energy: -31.844
Base-Backbone interact. energy: -0.339
local terms energy: -55.433286
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -11.633
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -7.261
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -182.624085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.624085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.624085 (E_RNA)
where:
Base-Base interactions energy: -110.263
where: short stacking energy: -67.545
Base-Backbone interact. energy: -0.177
local terms energy: -72.184523
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -19.195
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: 4
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -176.522519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.522519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.659829 (E_RNA)
where:
Base-Base interactions energy: -105.772
where: short stacking energy: -59.657
Base-Backbone interact. energy: -0.028
local terms energy: -70.860347
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -13.942
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -19.308
Dist. restrs. and SS energy: 0.137 (S_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: 268
Temperature: 1.000000
Total energy: -186.269759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.269759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.370591 (E_RNA)
where:
Base-Base interactions energy: -107.743
where: short stacking energy: -72.345
Base-Backbone interact. energy: -0.020
local terms energy: -78.608560
where:
bonds (distance) C4'-P energy: -17.066
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -22.247
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -165.707636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.707636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.030437 (E_RNA)
where:
Base-Base interactions energy: -103.554
where: short stacking energy: -51.869
Base-Backbone interact. energy: -0.245
local terms energy: -62.231691
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: -15.062
Dist. restrs. and SS energy: 0.323 (S_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: 268
Temperature: 1.100000
Total energy: -160.579066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.579066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.179637 (E_RNA)
where:
Base-Base interactions energy: -92.625
where: short stacking energy: -50.272
Base-Backbone interact. energy: -0.195
local terms energy: -68.359556
where:
bonds (distance) C4'-P energy: -9.606
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -19.426
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -12.336
Dist. restrs. and SS energy: 0.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -140.736925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.736925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.770142 (E_RNA)
where:
Base-Base interactions energy: -78.978
where: short stacking energy: -44.211
Base-Backbone interact. energy: -0.360
local terms energy: -61.432307
where:
bonds (distance) C4'-P energy: -18.664
bonds (distance) P-C4' energy: -9.033
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -8.714
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. 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: -140.452367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.452367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.539485 (E_RNA)
where:
Base-Base interactions energy: -78.319
where: short stacking energy: -39.536
Base-Backbone interact. energy: -0.022
local terms energy: -62.198910
where:
bonds (distance) C4'-P energy: -15.761
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -7.366
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -150.375036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.375036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.616139 (E_RNA)
where:
Base-Base interactions energy: -99.059
where: short stacking energy: -41.730
Base-Backbone interact. energy: -0.155
local terms energy: -51.402293
where:
bonds (distance) C4'-P energy: -11.612
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -8.308
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -10.499
Dist. restrs. and SS energy: 0.241 (S_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: 268
Temperature: 1.300000
Total energy: -112.228655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.228655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.300387 (E_RNA)
where:
Base-Base interactions energy: -62.930
where: short stacking energy: -24.107
Base-Backbone interact. energy: 0.790
local terms energy: -50.160760
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -10.924
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -3.496
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -130.316105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.316105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.377193 (E_RNA)
where:
Base-Base interactions energy: -81.823
where: short stacking energy: -41.266
Base-Backbone interact. energy: 1.325
local terms energy: -49.879846
where:
bonds (distance) C4'-P energy: -11.356
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -9.038
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -7.082
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -196.090572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.090572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.416038 (E_RNA)
where:
Base-Base interactions energy: -124.552
where: short stacking energy: -70.037
Base-Backbone interact. energy: -0.804
local terms energy: -71.060565
where:
bonds (distance) C4'-P energy: -12.127
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -19.101
Dist. restrs. and SS energy: 0.325 (S_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: 269
Temperature: 0.950000
Total energy: -189.857669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.857669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.383095 (E_RNA)
where:
Base-Base interactions energy: -109.764
where: short stacking energy: -67.460
Base-Backbone interact. energy: -0.016
local terms energy: -80.602496
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -19.237
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -16.461
Dist. restrs. and SS energy: 0.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -176.739002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.739002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.739002 (E_RNA)
where:
Base-Base interactions energy: -104.103
where: short stacking energy: -58.808
Base-Backbone interact. energy: -0.151
local terms energy: -72.485471
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -16.891
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -6.199
tors. eta vs tors. theta energy: -17.814
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -161.327720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.327720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.339530 (E_RNA)
where:
Base-Base interactions energy: -90.869
where: short stacking energy: -56.063
Base-Backbone interact. energy: -0.061
local terms energy: -70.409929
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -15.695
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -171.205284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.205284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.205284 (E_RNA)
where:
Base-Base interactions energy: -101.543
where: short stacking energy: -54.265
Base-Backbone interact. energy: -0.294
local terms energy: -69.368016
where:
bonds (distance) C4'-P energy: -17.355
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -13.613
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -156.861413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.861413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.479774 (E_RNA)
where:
Base-Base interactions energy: -93.527
where: short stacking energy: -43.974
Base-Backbone interact. energy: 0.198
local terms energy: -64.151612
where:
bonds (distance) C4'-P energy: -10.106
bonds (distance) P-C4' energy: -14.379
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -12.652
Dist. restrs. and SS energy: 0.618 (S_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: 269
Temperature: 1.200000
Total energy: -129.420447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.420447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.541010 (E_RNA)
where:
Base-Base interactions energy: -66.199
where: short stacking energy: -44.949
Base-Backbone interact. energy: -0.535
local terms energy: -62.806816
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -17.665
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -7.498
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -148.899785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.899785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.109396 (E_RNA)
where:
Base-Base interactions energy: -90.333
where: short stacking energy: -39.606
Base-Backbone interact. energy: -0.209
local terms energy: -58.567597
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -12.214
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -10.219
Dist. restrs. and SS energy: 0.210 (S_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: 269
Temperature: 1.300000
Total energy: -127.195192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.195192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.285013 (E_RNA)
where:
Base-Base interactions energy: -83.255
where: short stacking energy: -41.426
Base-Backbone interact. energy: -0.505
local terms energy: -43.525472
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: 4.267
tors. eta vs tors. theta energy: -7.902
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -135.517606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.517606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.523809 (E_RNA)
where:
Base-Base interactions energy: -74.796
where: short stacking energy: -45.889
Base-Backbone interact. energy: 0.439
local terms energy: -61.166946
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -10.841
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: -12.737
Dist. restrs. and SS energy: 0.006 (S_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: 270
Temperature: 0.900000
Total energy: -195.830143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.830143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.839961 (E_RNA)
where:
Base-Base interactions energy: -114.262
where: short stacking energy: -73.569
Base-Backbone interact. energy: -1.100
local terms energy: -80.477660
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -20.527
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -199.242085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.242085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.289746 (E_RNA)
where:
Base-Base interactions energy: -124.153
where: short stacking energy: -72.551
Base-Backbone interact. energy: -0.487
local terms energy: -74.650069
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -19.469
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -182.363124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.363124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.660292 (E_RNA)
where:
Base-Base interactions energy: -110.891
where: short stacking energy: -57.641
Base-Backbone interact. energy: -0.104
local terms energy: -71.665805
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -16.746
Dist. restrs. and SS energy: 0.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -167.670203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.670203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.670203 (E_RNA)
where:
Base-Base interactions energy: -92.668
where: short stacking energy: -47.783
Base-Backbone interact. energy: -0.033
local terms energy: -74.969520
where:
bonds (distance) C4'-P energy: -16.655
bonds (distance) P-C4' energy: -17.113
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -12.546
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: 9
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -166.251714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.251714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.823717 (E_RNA)
where:
Base-Base interactions energy: -99.023
where: short stacking energy: -50.123
Base-Backbone interact. energy: -0.139
local terms energy: -67.661771
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -14.113
Dist. restrs. and SS energy: 0.572 (S_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: 270
Temperature: 1.150000
Total energy: -170.563947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.563947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.856185 (E_RNA)
where:
Base-Base interactions energy: -106.800
where: short stacking energy: -55.871
Base-Backbone interact. energy: -0.325
local terms energy: -63.731052
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -15.229
Dist. restrs. and SS energy: 0.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -143.807933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.807933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.807933 (E_RNA)
where:
Base-Base interactions energy: -75.804
where: short stacking energy: -42.718
Base-Backbone interact. energy: 2.162
local terms energy: -70.165887
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -18.326
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -9.117
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -149.840856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.840856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.054989 (E_RNA)
where:
Base-Base interactions energy: -83.910
where: short stacking energy: -39.149
Base-Backbone interact. energy: -0.080
local terms energy: -66.065504
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -11.692
Dist. restrs. and SS energy: 0.214 (S_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: 270
Temperature: 1.300000
Total energy: -137.756473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.756473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.887725 (E_RNA)
where:
Base-Base interactions energy: -78.782
where: short stacking energy: -36.189
Base-Backbone interact. energy: -0.144
local terms energy: -58.962250
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -11.804
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -9.969
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -124.969149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.969149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.979347 (E_RNA)
where:
Base-Base interactions energy: -70.610
where: short stacking energy: -38.261
Base-Backbone interact. energy: -0.114
local terms energy: -54.255149
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -2.119
Dist. restrs. and SS energy: 0.010 (S_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: 271
Temperature: 0.900000
Total energy: -203.052099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.052099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.073656 (E_RNA)
where:
Base-Base interactions energy: -117.815
where: short stacking energy: -72.084
Base-Backbone interact. energy: -0.011
local terms energy: -85.247660
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -24.101
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -183.179820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.179820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.389322 (E_RNA)
where:
Base-Base interactions energy: -107.902
where: short stacking energy: -63.617
Base-Backbone interact. energy: -0.271
local terms energy: -75.215858
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -20.212
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -192.778949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.778949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.092826 (E_RNA)
where:
Base-Base interactions energy: -116.488
where: short stacking energy: -68.612
Base-Backbone interact. energy: -0.321
local terms energy: -76.283581
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -15.098
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -17.592
Dist. restrs. and SS energy: 0.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -179.733177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.733177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.171049 (E_RNA)
where:
Base-Base interactions energy: -113.714
where: short stacking energy: -64.598
Base-Backbone interact. energy: -0.090
local terms energy: -66.366791
where:
bonds (distance) C4'-P energy: -12.429
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -16.183
Dist. restrs. and SS energy: 0.438 (S_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: 271
Temperature: 1.100000
Total energy: -148.218917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.218917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.249868 (E_RNA)
where:
Base-Base interactions energy: -90.673
where: short stacking energy: -47.189
Base-Backbone interact. energy: -0.052
local terms energy: -57.525280
where:
bonds (distance) C4'-P energy: -9.808
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -8.251
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -139.659349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.659349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.659349 (E_RNA)
where:
Base-Base interactions energy: -74.851
where: short stacking energy: -33.914
Base-Backbone interact. energy: -0.551
local terms energy: -64.257344
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -6.933
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: 7
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -158.129886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.129886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.148181 (E_RNA)
where:
Base-Base interactions energy: -99.007
where: short stacking energy: -49.812
Base-Backbone interact. energy: -0.192
local terms energy: -58.949207
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -9.795
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -10.255
Dist. restrs. and SS energy: 0.018 (S_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: 271
Temperature: 1.250000
Total energy: -129.720643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.720643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.720643 (E_RNA)
where:
Base-Base interactions energy: -72.373
where: short stacking energy: -43.661
Base-Backbone interact. energy: -0.107
local terms energy: -57.240349
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -10.209
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -141.867112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.867112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.039047 (E_RNA)
where:
Base-Base interactions energy: -95.388
where: short stacking energy: -36.024
Base-Backbone interact. energy: -1.090
local terms energy: -45.561355
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -9.969
flat angles C4'-P-C4' energy: -6.794
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -4.545
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -123.988336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.988336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.036578 (E_RNA)
where:
Base-Base interactions energy: -68.292
where: short stacking energy: -35.017
Base-Backbone interact. energy: -0.243
local terms energy: -55.500848
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -10.437
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -4.283
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -190.918826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.918826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.082403 (E_RNA)
where:
Base-Base interactions energy: -114.559
where: short stacking energy: -67.263
Base-Backbone interact. energy: -0.050
local terms energy: -76.473816
where:
bonds (distance) C4'-P energy: -18.203
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -15.383
Dist. restrs. and SS energy: 0.164 (S_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: 272
Temperature: 0.950000
Total energy: -190.046533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.046533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.046533 (E_RNA)
where:
Base-Base interactions energy: -114.378
where: short stacking energy: -74.322
Base-Backbone interact. energy: -0.076
local terms energy: -75.592865
where:
bonds (distance) C4'-P energy: -9.588
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: -21.172
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -182.585413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.585413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.610467 (E_RNA)
where:
Base-Base interactions energy: -105.113
where: short stacking energy: -59.861
Base-Backbone interact. energy: -0.024
local terms energy: -77.473299
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -21.450
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -164.893951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.893951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.156983 (E_RNA)
where:
Base-Base interactions energy: -98.599
where: short stacking energy: -50.997
Base-Backbone interact. energy: -0.176
local terms energy: -66.382389
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -13.567
Dist. restrs. and SS energy: 0.263 (S_DIST_RNA)
chem. 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: -172.738164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.738164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.738164 (E_RNA)
where:
Base-Base interactions energy: -101.800
where: short stacking energy: -57.518
Base-Backbone interact. energy: 0.131
local terms energy: -71.069594
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -16.216
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -131.016505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.016505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.062342 (E_RNA)
where:
Base-Base interactions energy: -70.488
where: short stacking energy: -33.005
Base-Backbone interact. energy: -0.493
local terms energy: -60.080951
where:
bonds (distance) C4'-P energy: -9.675
bonds (distance) P-C4' energy: -17.511
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -7.941
Dist. restrs. and SS energy: 0.046 (S_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: 272
Temperature: 1.200000
Total energy: -140.704268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.704268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.799563 (E_RNA)
where:
Base-Base interactions energy: -80.110
where: short stacking energy: -42.981
Base-Backbone interact. energy: -0.260
local terms energy: -60.429996
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -11.810
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -11.069
Dist. restrs. and SS energy: 0.095 (S_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: 272
Temperature: 1.250000
Total energy: -121.040496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.040496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.095587 (E_RNA)
where:
Base-Base interactions energy: -60.290
where: short stacking energy: -34.620
Base-Backbone interact. energy: -0.354
local terms energy: -60.451874
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -11.505
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: -6.515
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -144.108734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.108734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.145099 (E_RNA)
where:
Base-Base interactions energy: -81.899
where: short stacking energy: -37.430
Base-Backbone interact. energy: -0.023
local terms energy: -62.222974
where:
bonds (distance) C4'-P energy: -9.356
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -11.900
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -127.505450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.505450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.683474 (E_RNA)
where:
Base-Base interactions energy: -77.877
where: short stacking energy: -42.986
Base-Backbone interact. energy: -0.101
local terms energy: -49.705530
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -9.067
flat angles C4'-P-C4' energy: -11.946
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -5.649
Dist. restrs. and SS energy: 0.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -187.561781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.561781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.579994 (E_RNA)
where:
Base-Base interactions energy: -111.721
where: short stacking energy: -68.177
Base-Backbone interact. energy: -0.038
local terms energy: -75.821297
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -18.562
Dist. restrs. and SS energy: 0.018 (S_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: 273
Temperature: 0.950000
Total energy: -189.889014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.889014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.143624 (E_RNA)
where:
Base-Base interactions energy: -113.753
where: short stacking energy: -67.147
Base-Backbone interact. energy: -0.335
local terms energy: -76.056007
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -15.993
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -182.876400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.876400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.921915 (E_RNA)
where:
Base-Base interactions energy: -108.599
where: short stacking energy: -60.857
Base-Backbone interact. energy: -0.009
local terms energy: -74.313675
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -17.681
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -177.161058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.161058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.198117 (E_RNA)
where:
Base-Base interactions energy: -101.046
where: short stacking energy: -56.870
Base-Backbone interact. energy: -0.144
local terms energy: -76.008174
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -14.895
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -143.914589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.914589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.914589 (E_RNA)
where:
Base-Base interactions energy: -85.006
where: short stacking energy: -43.049
Base-Backbone interact. energy: -0.189
local terms energy: -58.719618
where:
bonds (distance) C4'-P energy: -10.450
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -9.364
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -153.977644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.977644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.014836 (E_RNA)
where:
Base-Base interactions energy: -91.626
where: short stacking energy: -43.072
Base-Backbone interact. energy: -0.141
local terms energy: -62.247428
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -11.838
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -14.146
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -134.188561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.188561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.219697 (E_RNA)
where:
Base-Base interactions energy: -69.069
where: short stacking energy: -36.299
Base-Backbone interact. energy: -0.609
local terms energy: -64.541347
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -7.224
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -146.611423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.611423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.612107 (E_RNA)
where:
Base-Base interactions energy: -85.233
where: short stacking energy: -41.802
Base-Backbone interact. energy: -0.018
local terms energy: -61.361083
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -8.487
Dist. restrs. and SS energy: 0.001 (S_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: 273
Temperature: 1.300000
Total energy: -116.509739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.509739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.589053 (E_RNA)
where:
Base-Base interactions energy: -66.245
where: short stacking energy: -37.248
Base-Backbone interact. energy: -0.186
local terms energy: -50.158098
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -10.566
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -4.442
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -119.261933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.261933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.318124 (E_RNA)
where:
Base-Base interactions energy: -70.392
where: short stacking energy: -31.280
Base-Backbone interact. energy: -0.600
local terms energy: -48.325710
where:
bonds (distance) C4'-P energy: -10.747
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -9.220
flat angles P-C4'-P energy: -6.572
tors. eta vs tors. theta energy: -7.452
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -209.503361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.503361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.535650 (E_RNA)
where:
Base-Base interactions energy: -135.682
where: short stacking energy: -80.982
Base-Backbone interact. energy: -0.067
local terms energy: -73.787288
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -18.706
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -20.353
Dist. restrs. and SS energy: 0.032 (S_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: 274
Temperature: 0.950000
Total energy: -191.614080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.614080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.614080 (E_RNA)
where:
Base-Base interactions energy: -117.029
where: short stacking energy: -67.868
Base-Backbone interact. energy: -0.182
local terms energy: -74.402820
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -16.211
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -13.712
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -181.550791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.550791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.585978 (E_RNA)
where:
Base-Base interactions energy: -107.239
where: short stacking energy: -61.456
Base-Backbone interact. energy: 1.100
local terms energy: -75.447213
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -17.665
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -12.462
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -168.773075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.773075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.783908 (E_RNA)
where:
Base-Base interactions energy: -108.200
where: short stacking energy: -55.089
Base-Backbone interact. energy: -0.067
local terms energy: -60.516795
where:
bonds (distance) C4'-P energy: -13.500
bonds (distance) P-C4' energy: -11.782
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -11.259
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -157.112701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.112701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.142594 (E_RNA)
where:
Base-Base interactions energy: -86.163
where: short stacking energy: -56.227
Base-Backbone interact. energy: -0.019
local terms energy: -70.960686
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -12.014
Dist. restrs. and SS energy: 0.030 (S_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: 274
Temperature: 1.150000
Total energy: -155.826058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.826058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.256164 (E_RNA)
where:
Base-Base interactions energy: -93.569
where: short stacking energy: -48.484
Base-Backbone interact. energy: -0.112
local terms energy: -62.576004
where:
bonds (distance) C4'-P energy: -17.090
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -12.119
Dist. restrs. and SS energy: 0.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -131.780555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.780555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.789717 (E_RNA)
where:
Base-Base interactions energy: -71.475
where: short stacking energy: -34.725
Base-Backbone interact. energy: -0.109
local terms energy: -60.206054
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -7.637
Dist. restrs. and SS energy: 0.009 (S_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: 274
Temperature: 1.250000
Total energy: -130.262119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.262119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.461555 (E_RNA)
where:
Base-Base interactions energy: -67.066
where: short stacking energy: -37.160
Base-Backbone interact. energy: 3.204
local terms energy: -66.599313
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -7.271
Dist. restrs. and SS energy: 0.199 (S_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: 274
Temperature: 1.300000
Total energy: -130.827364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.827364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.827364 (E_RNA)
where:
Base-Base interactions energy: -77.927
where: short stacking energy: -47.139
Base-Backbone interact. energy: -0.011
local terms energy: -52.889168
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -7.954
flat angles C4'-P-C4' energy: -11.383
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -10.735
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: 2
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -127.552467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.552467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.864200 (E_RNA)
where:
Base-Base interactions energy: -77.658
where: short stacking energy: -38.294
Base-Backbone interact. energy: -0.126
local terms energy: -50.080455
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -9.511
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: 0.167
Dist. restrs. and SS energy: 0.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -206.500112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.500112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.796855 (E_RNA)
where:
Base-Base interactions energy: -127.751
where: short stacking energy: -72.451
Base-Backbone interact. energy: -0.012
local terms energy: -79.033696
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -21.566
Dist. restrs. and SS energy: 0.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -171.418938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.418938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.418938 (E_RNA)
where:
Base-Base interactions energy: -99.800
where: short stacking energy: -57.642
Base-Backbone interact. energy: -0.174
local terms energy: -71.445215
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -17.394
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: 6
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -178.566631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.566631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.782137 (E_RNA)
where:
Base-Base interactions energy: -102.902
where: short stacking energy: -53.852
Base-Backbone interact. energy: -0.209
local terms energy: -75.671658
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -17.375
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -13.315
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -162.500496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.500496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.500496 (E_RNA)
where:
Base-Base interactions energy: -93.581
where: short stacking energy: -57.530
Base-Backbone interact. energy: -0.162
local terms energy: -68.757374
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -15.152
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: 9
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -142.364595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.364595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.364595 (E_RNA)
where:
Base-Base interactions energy: -78.815
where: short stacking energy: -41.683
Base-Backbone interact. energy: -0.213
local terms energy: -63.336278
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -10.776
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: 7
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -142.819461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.819461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.855222 (E_RNA)
where:
Base-Base interactions energy: -87.483
where: short stacking energy: -47.263
Base-Backbone interact. energy: -0.371
local terms energy: -55.001745
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -5.874
tors. eta vs tors. theta energy: -10.198
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -137.422699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.422699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.422699 (E_RNA)
where:
Base-Base interactions energy: -76.768
where: short stacking energy: -42.254
Base-Backbone interact. energy: -0.131
local terms energy: -60.524110
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -8.457
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -124.067199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.067199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.067199 (E_RNA)
where:
Base-Base interactions energy: -70.245
where: short stacking energy: -34.944
Base-Backbone interact. energy: -0.093
local terms energy: -53.729384
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -5.423
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -148.137115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.137115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.140251 (E_RNA)
where:
Base-Base interactions energy: -83.162
where: short stacking energy: -50.322
Base-Backbone interact. energy: -0.103
local terms energy: -64.874952
where:
bonds (distance) C4'-P energy: -15.662
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -13.617
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -125.458335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.458335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.458335 (E_RNA)
where:
Base-Base interactions energy: -71.297
where: short stacking energy: -35.253
Base-Backbone interact. energy: -0.301
local terms energy: -53.860916
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -1.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -204.779955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.779955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.779955 (E_RNA)
where:
Base-Base interactions energy: -126.404
where: short stacking energy: -73.151
Base-Backbone interact. energy: -0.012
local terms energy: -78.364092
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -20.018
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -189.651042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.651042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.710662 (E_RNA)
where:
Base-Base interactions energy: -111.677
where: short stacking energy: -56.312
Base-Backbone interact. energy: -0.055
local terms energy: -77.979296
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -15.873
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -20.163
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -162.637418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.637418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.667637 (E_RNA)
where:
Base-Base interactions energy: -94.698
where: short stacking energy: -52.588
Base-Backbone interact. energy: -0.029
local terms energy: -67.940796
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -8.649
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. 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: -171.180855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.180855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.180855 (E_RNA)
where:
Base-Base interactions energy: -103.806
where: short stacking energy: -56.053
Base-Backbone interact. energy: -0.021
local terms energy: -67.353300
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -9.802
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -152.976285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.976285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.976285 (E_RNA)
where:
Base-Base interactions energy: -85.381
where: short stacking energy: -51.120
Base-Backbone interact. energy: -0.020
local terms energy: -67.575464
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -13.494
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: 9
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -137.509553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.509553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.509553 (E_RNA)
where:
Base-Base interactions energy: -76.516
where: short stacking energy: -41.049
Base-Backbone interact. energy: -0.248
local terms energy: -60.745645
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -10.053
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -8.700
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -129.993034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.993034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.041293 (E_RNA)
where:
Base-Base interactions energy: -74.853
where: short stacking energy: -44.692
Base-Backbone interact. energy: -0.919
local terms energy: -54.269597
where:
bonds (distance) C4'-P energy: -8.065
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -8.318
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -128.172108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.172108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.199421 (E_RNA)
where:
Base-Base interactions energy: -75.480
where: short stacking energy: -45.776
Base-Backbone interact. energy: -0.324
local terms energy: -52.395417
where:
bonds (distance) C4'-P energy: -8.869
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -11.676
flat angles P-C4'-P energy: -5.797
tors. eta vs tors. theta energy: -8.967
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. 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: -133.040342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.040342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.103407 (E_RNA)
where:
Base-Base interactions energy: -79.731
where: short stacking energy: -40.414
Base-Backbone interact. energy: 0.484
local terms energy: -53.856056
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -6.381
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -129.867664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.867664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.867664 (E_RNA)
where:
Base-Base interactions energy: -72.105
where: short stacking energy: -38.268
Base-Backbone interact. energy: -0.033
local terms energy: -57.729692
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -3.313
tors. eta vs tors. theta energy: -10.074
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: 8
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -202.054426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.054426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.255007 (E_RNA)
where:
Base-Base interactions energy: -118.201
where: short stacking energy: -71.114
Base-Backbone interact. energy: -0.108
local terms energy: -83.945716
where:
bonds (distance) C4'-P energy: -17.731
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -14.597
tors. eta vs tors. theta energy: -19.205
Dist. restrs. and SS energy: 0.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -188.917163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.917163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.933474 (E_RNA)
where:
Base-Base interactions energy: -109.413
where: short stacking energy: -63.026
Base-Backbone interact. energy: -0.991
local terms energy: -78.528849
where:
bonds (distance) C4'-P energy: -17.073
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -6.363
tors. eta vs tors. theta energy: -20.275
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -181.361626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.361626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.557303 (E_RNA)
where:
Base-Base interactions energy: -119.205
where: short stacking energy: -54.222
Base-Backbone interact. energy: -0.361
local terms energy: -61.990978
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -10.383
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -14.169
Dist. restrs. and SS energy: 0.196 (S_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: 277
Temperature: 1.050000
Total energy: -182.125384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.125384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.125384 (E_RNA)
where:
Base-Base interactions energy: -113.489
where: short stacking energy: -62.445
Base-Backbone interact. energy: 0.996
local terms energy: -69.632115
where:
bonds (distance) C4'-P energy: -11.787
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -16.488
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -162.608049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.608049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.608049 (E_RNA)
where:
Base-Base interactions energy: -95.619
where: short stacking energy: -59.119
Base-Backbone interact. energy: -0.043
local terms energy: -66.945480
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -12.439
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: 10
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -144.313008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.313008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.392121 (E_RNA)
where:
Base-Base interactions energy: -79.359
where: short stacking energy: -37.678
Base-Backbone interact. energy: -0.175
local terms energy: -64.857827
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -8.287
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. 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: -134.094205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.094205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.198529 (E_RNA)
where:
Base-Base interactions energy: -72.009
where: short stacking energy: -54.111
Base-Backbone interact. energy: 0.590
local terms energy: -62.779469
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -9.849
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -13.801
Dist. restrs. and SS energy: 0.104 (S_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: 277
Temperature: 1.250000
Total energy: -143.778360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.778360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.971267 (E_RNA)
where:
Base-Base interactions energy: -83.992
where: short stacking energy: -40.632
Base-Backbone interact. energy: -0.294
local terms energy: -59.684888
where:
bonds (distance) C4'-P energy: -17.368
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -7.837
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -124.533354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.533354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.558554 (E_RNA)
where:
Base-Base interactions energy: -73.261
where: short stacking energy: -44.104
Base-Backbone interact. energy: -0.205
local terms energy: -51.093204
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -11.258
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -2.774
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -133.498768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.498768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.545902 (E_RNA)
where:
Base-Base interactions energy: -77.117
where: short stacking energy: -42.757
Base-Backbone interact. energy: -0.216
local terms energy: -56.212270
where:
bonds (distance) C4'-P energy: -11.212
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -4.880
tors. eta vs tors. theta energy: -7.530
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -200.440468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.440468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.864539 (E_RNA)
where:
Base-Base interactions energy: -118.910
where: short stacking energy: -73.971
Base-Backbone interact. energy: -0.097
local terms energy: -81.857572
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -24.390
Dist. restrs. and SS energy: 0.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -186.684789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.684789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.711705 (E_RNA)
where:
Base-Base interactions energy: -111.605
where: short stacking energy: -69.349
Base-Backbone interact. energy: -0.001
local terms energy: -75.105897
where:
bonds (distance) C4'-P energy: -10.817
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -16.561
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -22.979
Dist. restrs. and SS energy: 0.027 (S_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: 278
Temperature: 1.000000
Total energy: -176.518127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.518127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.518127 (E_RNA)
where:
Base-Base interactions energy: -106.943
where: short stacking energy: -64.139
Base-Backbone interact. energy: -0.007
local terms energy: -69.567739
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -16.173
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -173.293499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.293499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.793559 (E_RNA)
where:
Base-Base interactions energy: -104.552
where: short stacking energy: -59.343
Base-Backbone interact. energy: -0.378
local terms energy: -68.863842
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -12.960
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -16.801
Dist. restrs. and SS energy: 0.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -135.393012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.393012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.393012 (E_RNA)
where:
Base-Base interactions energy: -71.648
where: short stacking energy: -33.645
Base-Backbone interact. energy: -0.127
local terms energy: -63.617634
where:
bonds (distance) C4'-P energy: -14.833
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -6.669
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -150.760753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.760753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.765197 (E_RNA)
where:
Base-Base interactions energy: -92.833
where: short stacking energy: -46.976
Base-Backbone interact. energy: -0.159
local terms energy: -57.773357
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -7.322
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -11.078
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. 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: -152.661659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.661659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.661659 (E_RNA)
where:
Base-Base interactions energy: -85.501
where: short stacking energy: -45.739
Base-Backbone interact. energy: 0.266
local terms energy: -67.425917
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -9.460
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -137.108492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.108492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.108492 (E_RNA)
where:
Base-Base interactions energy: -82.086
where: short stacking energy: -48.510
Base-Backbone interact. energy: -0.219
local terms energy: -54.802797
where:
bonds (distance) C4'-P energy: -10.112
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -6.625
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -11.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -119.601168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.601168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.613032 (E_RNA)
where:
Base-Base interactions energy: -75.521
where: short stacking energy: -40.035
Base-Backbone interact. energy: -0.300
local terms energy: -43.792809
where:
bonds (distance) C4'-P energy: -6.976
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -0.054
tors. eta vs tors. theta energy: -3.764
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -113.654027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.654027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.721794 (E_RNA)
where:
Base-Base interactions energy: -56.382
where: short stacking energy: -33.581
Base-Backbone interact. energy: -0.020
local terms energy: -57.319991
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -4.350
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -192.380694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.380694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.515959 (E_RNA)
where:
Base-Base interactions energy: -117.558
where: short stacking energy: -68.752
Base-Backbone interact. energy: -0.065
local terms energy: -74.893021
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -17.359
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -195.328016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.328016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.353857 (E_RNA)
where:
Base-Base interactions energy: -114.562
where: short stacking energy: -65.988
Base-Backbone interact. energy: -0.035
local terms energy: -80.756708
where:
bonds (distance) C4'-P energy: -18.013
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -18.549
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -16.406
Dist. restrs. and SS energy: 0.026 (S_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: 279
Temperature: 1.000000
Total energy: -182.432171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.432171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.680843 (E_RNA)
where:
Base-Base interactions energy: -112.091
where: short stacking energy: -65.286
Base-Backbone interact. energy: -0.166
local terms energy: -70.423331
where:
bonds (distance) C4'-P energy: -15.711
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -16.342
Dist. restrs. and SS energy: 0.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -173.831037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.831037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.255973 (E_RNA)
where:
Base-Base interactions energy: -106.516
where: short stacking energy: -58.291
Base-Backbone interact. energy: -0.020
local terms energy: -67.719655
where:
bonds (distance) C4'-P energy: -10.361
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -16.760
Dist. restrs. and SS energy: 0.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -139.604393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.604393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.606543 (E_RNA)
where:
Base-Base interactions energy: -75.693
where: short stacking energy: -39.139
Base-Backbone interact. energy: -0.243
local terms energy: -63.670264
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -4.111
tors. eta vs tors. theta energy: -9.570
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -157.227918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.227918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.237271 (E_RNA)
where:
Base-Base interactions energy: -85.399
where: short stacking energy: -39.062
Base-Backbone interact. energy: -0.069
local terms energy: -71.769152
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: -13.615
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. 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: -141.882737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.882737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.882737 (E_RNA)
where:
Base-Base interactions energy: -90.257
where: short stacking energy: -44.221
Base-Backbone interact. energy: 0.519
local terms energy: -52.145359
where:
bonds (distance) C4'-P energy: -5.374
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -7.526
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -142.986879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.986879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.037740 (E_RNA)
where:
Base-Base interactions energy: -75.966
where: short stacking energy: -45.354
Base-Backbone interact. energy: -0.297
local terms energy: -66.774889
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -13.714
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: -14.425
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -115.535630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.535630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.775037 (E_RNA)
where:
Base-Base interactions energy: -64.263
where: short stacking energy: -33.414
Base-Backbone interact. energy: -0.045
local terms energy: -51.467367
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -9.417
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -5.884
Dist. restrs. and SS energy: 0.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -103.428467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.428467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.459795 (E_RNA)
where:
Base-Base interactions energy: -48.180
where: short stacking energy: -25.152
Base-Backbone interact. energy: -0.438
local terms energy: -54.841913
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -12.543
tors. eta vs tors. theta energy: -0.548
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -198.381251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.381251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.403415 (E_RNA)
where:
Base-Base interactions energy: -122.167
where: short stacking energy: -72.070
Base-Backbone interact. energy: -0.180
local terms energy: -76.056269
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -10.657
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -19.888
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -190.301149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.301149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.322198 (E_RNA)
where:
Base-Base interactions energy: -109.480
where: short stacking energy: -60.552
Base-Backbone interact. energy: -0.025
local terms energy: -80.816539
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -18.895
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -17.096
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -176.297868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.297868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.344902 (E_RNA)
where:
Base-Base interactions energy: -104.848
where: short stacking energy: -53.572
Base-Backbone interact. energy: -0.022
local terms energy: -71.474735
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -10.052
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -18.002
Dist. restrs. and SS energy: 0.047 (S_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: 280
Temperature: 1.050000
Total energy: -187.762981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.762981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.762981 (E_RNA)
where:
Base-Base interactions energy: -107.304
where: short stacking energy: -64.583
Base-Backbone interact. energy: -0.042
local terms energy: -80.417375
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -14.486
tors. eta vs tors. theta energy: -18.225
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -170.194109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.194109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.402884 (E_RNA)
where:
Base-Base interactions energy: -101.117
where: short stacking energy: -57.179
Base-Backbone interact. energy: -0.016
local terms energy: -69.269769
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -14.117
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -152.879406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.879406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.012741 (E_RNA)
where:
Base-Base interactions energy: -92.743
where: short stacking energy: -44.899
Base-Backbone interact. energy: -0.151
local terms energy: -60.119088
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -12.039
flat angles C4'-P-C4' energy: -10.263
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -13.724
Dist. restrs. and SS energy: 0.133 (S_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: 280
Temperature: 1.200000
Total energy: -142.542488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.542488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.696270 (E_RNA)
where:
Base-Base interactions energy: -86.795
where: short stacking energy: -43.406
Base-Backbone interact. energy: -0.316
local terms energy: -55.585364
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -7.989
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -9.921
Dist. restrs. and SS energy: 0.154 (S_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: 280
Temperature: 1.250000
Total energy: -126.707122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.707122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.715673 (E_RNA)
where:
Base-Base interactions energy: -69.874
where: short stacking energy: -29.493
Base-Backbone interact. energy: 0.315
local terms energy: -57.157325
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -4.424
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -129.743778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.743778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.757715 (E_RNA)
where:
Base-Base interactions energy: -77.066
where: short stacking energy: -39.456
Base-Backbone interact. energy: -0.365
local terms energy: -52.326740
where:
bonds (distance) C4'-P energy: -12.023
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -5.969
tors. eta vs tors. theta energy: -7.314
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -131.380899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.380899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.388556 (E_RNA)
where:
Base-Base interactions energy: -71.221
where: short stacking energy: -37.470
Base-Backbone interact. energy: -1.234
local terms energy: -58.933443
where:
bonds (distance) C4'-P energy: -7.486
bonds (distance) P-C4' energy: -13.119
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -13.488
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -194.691902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.691902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.721110 (E_RNA)
where:
Base-Base interactions energy: -112.648
where: short stacking energy: -67.158
Base-Backbone interact. energy: -0.516
local terms energy: -81.557333
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -19.076
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -196.391267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.391267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.932178 (E_RNA)
where:
Base-Base interactions energy: -122.425
where: short stacking energy: -74.162
Base-Backbone interact. energy: -0.001
local terms energy: -74.506410
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -21.006
Dist. restrs. and SS energy: 0.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -181.194835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.194835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.331696 (E_RNA)
where:
Base-Base interactions energy: -109.742
where: short stacking energy: -61.901
Base-Backbone interact. energy: -0.105
local terms energy: -71.484115
where:
bonds (distance) C4'-P energy: -9.477
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -18.747
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. 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: -168.584305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.584305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.886136 (E_RNA)
where:
Base-Base interactions energy: -103.134
where: short stacking energy: -47.314
Base-Backbone interact. energy: -0.266
local terms energy: -65.485890
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -8.212
Dist. restrs. and SS energy: 0.302 (S_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: 281
Temperature: 1.100000
Total energy: -175.358524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.358524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.333572 (E_RNA)
where:
Base-Base interactions energy: -109.388
where: short stacking energy: -60.114
Base-Backbone interact. energy: -0.041
local terms energy: -66.904657
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -5.575
tors. eta vs tors. theta energy: -17.992
Dist. restrs. and SS energy: 0.975 (S_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: 281
Temperature: 1.150000
Total energy: -150.534754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.534754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.554190 (E_RNA)
where:
Base-Base interactions energy: -81.154
where: short stacking energy: -40.521
Base-Backbone interact. energy: -0.294
local terms energy: -69.105988
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -10.071
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -146.445999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.445999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.445999 (E_RNA)
where:
Base-Base interactions energy: -91.562
where: short stacking energy: -45.344
Base-Backbone interact. energy: -0.223
local terms energy: -54.661497
where:
bonds (distance) C4'-P energy: -11.413
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -10.187
flat angles P-C4'-P energy: -5.279
tors. eta vs tors. theta energy: -9.170
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: 3
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -133.775109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.775109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.893923 (E_RNA)
where:
Base-Base interactions energy: -81.104
where: short stacking energy: -50.240
Base-Backbone interact. energy: -0.041
local terms energy: -52.748979
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: 1.534
tors. eta vs tors. theta energy: -10.983
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -146.727441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.727441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.883781 (E_RNA)
where:
Base-Base interactions energy: -88.516
where: short stacking energy: -49.014
Base-Backbone interact. energy: -0.018
local terms energy: -58.349421
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -4.148
tors. eta vs tors. theta energy: -8.641
Dist. restrs. and SS energy: 0.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -122.703483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.703483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.762442 (E_RNA)
where:
Base-Base interactions energy: -65.296
where: short stacking energy: -35.424
Base-Backbone interact. energy: -0.311
local terms energy: -57.155399
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -7.950
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -7.170
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -202.285660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.285660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.725612 (E_RNA)
where:
Base-Base interactions energy: -121.348
where: short stacking energy: -71.699
Base-Backbone interact. energy: -0.068
local terms energy: -81.309875
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -21.301
Dist. restrs. and SS energy: 0.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -185.889372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.889372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.981136 (E_RNA)
where:
Base-Base interactions energy: -111.314
where: short stacking energy: -66.015
Base-Backbone interact. energy: -0.529
local terms energy: -74.138277
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -17.649
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -176.352086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.352086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.352086 (E_RNA)
where:
Base-Base interactions energy: -112.678
where: short stacking energy: -68.079
Base-Backbone interact. energy: -0.026
local terms energy: -63.648484
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -8.354
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -18.300
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -176.218154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.218154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.429073 (E_RNA)
where:
Base-Base interactions energy: -107.284
where: short stacking energy: -45.074
Base-Backbone interact. energy: -0.045
local terms energy: -69.099746
where:
bonds (distance) C4'-P energy: -17.161
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -9.829
Dist. restrs. and SS energy: 0.211 (S_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: 282
Temperature: 1.100000
Total energy: -160.222349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.222349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.744873 (E_RNA)
where:
Base-Base interactions energy: -87.649
where: short stacking energy: -44.852
Base-Backbone interact. energy: -0.074
local terms energy: -73.021191
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -15.150
Dist. restrs. and SS energy: 0.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -158.729932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.729932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.760162 (E_RNA)
where:
Base-Base interactions energy: -96.308
where: short stacking energy: -48.250
Base-Backbone interact. energy: -0.418
local terms energy: -62.033972
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -11.709
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -138.772677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.772677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.834471 (E_RNA)
where:
Base-Base interactions energy: -75.691
where: short stacking energy: -44.497
Base-Backbone interact. energy: -1.461
local terms energy: -61.682034
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -9.632
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -131.002965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.002965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.002965 (E_RNA)
where:
Base-Base interactions energy: -75.012
where: short stacking energy: -39.265
Base-Backbone interact. energy: -0.031
local terms energy: -55.959886
where:
bonds (distance) C4'-P energy: -9.919
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -7.440
tors. eta vs tors. theta energy: -7.479
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: 5
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -123.542390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.542390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.542390 (E_RNA)
where:
Base-Base interactions energy: -66.179
where: short stacking energy: -47.304
Base-Backbone interact. energy: -0.131
local terms energy: -57.232001
where:
bonds (distance) C4'-P energy: -9.729
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -9.892
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -129.010810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.010810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.143335 (E_RNA)
where:
Base-Base interactions energy: -69.702
where: short stacking energy: -43.747
Base-Backbone interact. energy: -0.152
local terms energy: -59.289573
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -11.476
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -8.496
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -207.181560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.181560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.189012 (E_RNA)
where:
Base-Base interactions energy: -124.060
where: short stacking energy: -71.678
Base-Backbone interact. energy: -0.193
local terms energy: -82.935993
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -21.206
Dist. restrs. and SS energy: 0.007 (S_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: 283
Temperature: 0.950000
Total energy: -193.522123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.522123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.707814 (E_RNA)
where:
Base-Base interactions energy: -117.293
where: short stacking energy: -69.200
Base-Backbone interact. energy: 0.859
local terms energy: -77.273642
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: -16.296
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -171.386972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.386972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.515774 (E_RNA)
where:
Base-Base interactions energy: -99.147
where: short stacking energy: -53.062
Base-Backbone interact. energy: -0.098
local terms energy: -72.270585
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -16.997
Dist. restrs. and SS energy: 0.129 (S_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: 283
Temperature: 1.050000
Total energy: -162.248388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.248388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.954652 (E_RNA)
where:
Base-Base interactions energy: -97.242
where: short stacking energy: -56.033
Base-Backbone interact. energy: -0.250
local terms energy: -65.462410
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -4.940
tors. eta vs tors. theta energy: -15.123
Dist. restrs. and SS energy: 0.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -176.764785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.764785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.155059 (E_RNA)
where:
Base-Base interactions energy: -108.586
where: short stacking energy: -61.401
Base-Backbone interact. energy: -0.101
local terms energy: -68.468621
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -13.194
Dist. restrs. and SS energy: 0.390 (S_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: 283
Temperature: 1.150000
Total energy: -137.586620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.586620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.704200 (E_RNA)
where:
Base-Base interactions energy: -72.045
where: short stacking energy: -35.469
Base-Backbone interact. energy: -0.863
local terms energy: -64.795786
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -14.204
tors. eta vs tors. theta energy: -3.761
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -142.391061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.391061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.608758 (E_RNA)
where:
Base-Base interactions energy: -80.849
where: short stacking energy: -33.870
Base-Backbone interact. energy: -0.120
local terms energy: -61.638898
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -12.297
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -8.868
Dist. restrs. and SS energy: 0.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -141.708843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.708843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.742143 (E_RNA)
where:
Base-Base interactions energy: -82.183
where: short stacking energy: -50.942
Base-Backbone interact. energy: -0.513
local terms energy: -59.046014
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -18.661
flat angles P-C4'-P energy: -3.819
tors. eta vs tors. theta energy: -5.130
Dist. restrs. and SS energy: 0.033 (S_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: 283
Temperature: 1.300000
Total energy: -140.025870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.025870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.025870 (E_RNA)
where:
Base-Base interactions energy: -90.666
where: short stacking energy: -43.543
Base-Backbone interact. energy: -0.087
local terms energy: -49.273150
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -10.737
flat angles C4'-P-C4' energy: -9.294
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: -8.901
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -127.549724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.549724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.626059 (E_RNA)
where:
Base-Base interactions energy: -68.804
where: short stacking energy: -42.132
Base-Backbone interact. energy: -0.187
local terms energy: -58.635660
where:
bonds (distance) C4'-P energy: -11.622
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -9.898
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -205.252580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.252580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.252580 (E_RNA)
where:
Base-Base interactions energy: -123.528
where: short stacking energy: -68.646
Base-Backbone interact. energy: -0.043
local terms energy: -81.681347
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -20.191
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -183.283828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.283828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.478209 (E_RNA)
where:
Base-Base interactions energy: -107.052
where: short stacking energy: -64.693
Base-Backbone interact. energy: -0.063
local terms energy: -76.363157
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -16.041
Dist. restrs. and SS energy: 0.194 (S_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: 284
Temperature: 1.000000
Total energy: -182.909125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.909125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.148786 (E_RNA)
where:
Base-Base interactions energy: -106.134
where: short stacking energy: -62.706
Base-Backbone interact. energy: -0.097
local terms energy: -76.917660
where:
bonds (distance) C4'-P energy: -17.198
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -17.691
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: -13.060
Dist. restrs. and SS energy: 0.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -198.308735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.308735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.431077 (E_RNA)
where:
Base-Base interactions energy: -119.125
where: short stacking energy: -58.546
Base-Backbone interact. energy: -0.101
local terms energy: -79.205012
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -18.876
Dist. restrs. and SS energy: 0.122 (S_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: 284
Temperature: 1.100000
Total energy: -163.955311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.955311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.019392 (E_RNA)
where:
Base-Base interactions energy: -100.143
where: short stacking energy: -51.584
Base-Backbone interact. energy: -0.172
local terms energy: -63.704276
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -12.074
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -15.565
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -160.712015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.712015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.716416 (E_RNA)
where:
Base-Base interactions energy: -94.499
where: short stacking energy: -54.485
Base-Backbone interact. energy: -0.110
local terms energy: -66.107374
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: -10.364
Dist. restrs. and SS energy: 0.004 (S_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: 284
Temperature: 1.200000
Total energy: -147.365326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.365326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.365326 (E_RNA)
where:
Base-Base interactions energy: -96.815
where: short stacking energy: -54.714
Base-Backbone interact. energy: -0.290
local terms energy: -50.259640
where:
bonds (distance) C4'-P energy: -9.211
bonds (distance) P-C4' energy: -8.493
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -10.276
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: 8, replica: 5
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -156.528856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.528856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.131354 (E_RNA)
where:
Base-Base interactions energy: -89.372
where: short stacking energy: -44.085
Base-Backbone interact. energy: -0.048
local terms energy: -67.711254
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: -8.745
Dist. restrs. and SS energy: 0.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -133.003846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.003846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.392846 (E_RNA)
where:
Base-Base interactions energy: -81.809
where: short stacking energy: -39.276
Base-Backbone interact. energy: -0.039
local terms energy: -51.545134
where:
bonds (distance) C4'-P energy: -10.693
bonds (distance) P-C4' energy: -10.711
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -7.615
Dist. restrs. and SS energy: 0.389 (S_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: 284
Temperature: 1.350000
Total energy: -117.746686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.746686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.769956 (E_RNA)
where:
Base-Base interactions energy: -68.204
where: short stacking energy: -34.352
Base-Backbone interact. energy: 1.180
local terms energy: -50.746029
where:
bonds (distance) C4'-P energy: -6.743
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -5.558
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -181.678806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.678806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.716259 (E_RNA)
where:
Base-Base interactions energy: -105.894
where: short stacking energy: -57.685
Base-Backbone interact. energy: -0.142
local terms energy: -75.679893
where:
bonds (distance) C4'-P energy: -16.126
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -16.407
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -187.044480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.044480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.497464 (E_RNA)
where:
Base-Base interactions energy: -116.455
where: short stacking energy: -68.437
Base-Backbone interact. energy: -0.391
local terms energy: -70.651549
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -15.189
Dist. restrs. and SS energy: 0.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -177.391176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.391176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.443762 (E_RNA)
where:
Base-Base interactions energy: -106.844
where: short stacking energy: -60.956
Base-Backbone interact. energy: -0.003
local terms energy: -70.597452
where:
bonds (distance) C4'-P energy: -14.357
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -14.164
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -174.076599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.076599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.400463 (E_RNA)
where:
Base-Base interactions energy: -105.329
where: short stacking energy: -60.170
Base-Backbone interact. energy: -0.067
local terms energy: -69.003629
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -9.388
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -18.637
Dist. restrs. and SS energy: 0.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -161.362500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.362500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.500531 (E_RNA)
where:
Base-Base interactions energy: -96.520
where: short stacking energy: -50.421
Base-Backbone interact. energy: -0.140
local terms energy: -64.840641
where:
bonds (distance) C4'-P energy: -14.043
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -11.759
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -163.839804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.839804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.431750 (E_RNA)
where:
Base-Base interactions energy: -95.990
where: short stacking energy: -59.764
Base-Backbone interact. energy: -0.760
local terms energy: -67.681544
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -11.304
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -17.838
Dist. restrs. and SS energy: 0.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -134.464536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.464536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.464536 (E_RNA)
where:
Base-Base interactions energy: -71.649
where: short stacking energy: -37.749
Base-Backbone interact. energy: -0.124
local terms energy: -62.691633
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -12.181
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -6.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -142.289618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.289618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.332176 (E_RNA)
where:
Base-Base interactions energy: -73.286
where: short stacking energy: -41.598
Base-Backbone interact. energy: 2.639
local terms energy: -71.685825
where:
bonds (distance) C4'-P energy: -17.998
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -12.560
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -115.108196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.108196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.124248 (E_RNA)
where:
Base-Base interactions energy: -61.739
where: short stacking energy: -29.385
Base-Backbone interact. energy: -0.388
local terms energy: -52.997335
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -15.242
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -2.610
tors. eta vs tors. theta energy: -0.164
Dist. restrs. and SS energy: 0.016 (S_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: 285
Temperature: 1.350000
Total energy: -104.992965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.992965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.992965 (E_RNA)
where:
Base-Base interactions energy: -54.657
where: short stacking energy: -27.210
Base-Backbone interact. energy: -0.231
local terms energy: -50.105423
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -18.248
flat angles P-C4'-P energy: -5.960
tors. eta vs tors. theta energy: 3.702
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -195.133978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.133978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.459757 (E_RNA)
where:
Base-Base interactions energy: -114.584
where: short stacking energy: -63.726
Base-Backbone interact. energy: -0.969
local terms energy: -79.906734
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: -19.832
Dist. restrs. and SS energy: 0.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -182.888615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.888615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.888615 (E_RNA)
where:
Base-Base interactions energy: -102.803
where: short stacking energy: -58.881
Base-Backbone interact. energy: -0.836
local terms energy: -79.249728
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -16.502
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -176.222637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.222637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.241140 (E_RNA)
where:
Base-Base interactions energy: -107.503
where: short stacking energy: -59.219
Base-Backbone interact. energy: -0.013
local terms energy: -68.724512
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -6.793
tors. eta vs tors. theta energy: -16.151
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -180.533385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.533385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.141160 (E_RNA)
where:
Base-Base interactions energy: -106.711
where: short stacking energy: -65.681
Base-Backbone interact. energy: -0.627
local terms energy: -73.802864
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -16.686
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -17.309
Dist. restrs. and SS energy: 0.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -162.541258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.541258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.599190 (E_RNA)
where:
Base-Base interactions energy: -92.894
where: short stacking energy: -49.134
Base-Backbone interact. energy: -0.117
local terms energy: -69.587472
where:
bonds (distance) C4'-P energy: -16.382
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -11.698
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -152.404563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.404563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.491400 (E_RNA)
where:
Base-Base interactions energy: -99.932
where: short stacking energy: -49.201
Base-Backbone interact. energy: -0.412
local terms energy: -52.147371
where:
bonds (distance) C4'-P energy: -10.656
bonds (distance) P-C4' energy: -10.677
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -8.155
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -134.917004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.917004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.917004 (E_RNA)
where:
Base-Base interactions energy: -72.229
where: short stacking energy: -38.544
Base-Backbone interact. energy: -0.084
local terms energy: -62.604002
where:
bonds (distance) C4'-P energy: -17.980
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -8.587
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: 2
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -139.834874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.834874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.855353 (E_RNA)
where:
Base-Base interactions energy: -81.082
where: short stacking energy: -43.018
Base-Backbone interact. energy: -0.162
local terms energy: -58.610783
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: -9.737
Dist. restrs. and SS energy: 0.020 (S_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: 286
Temperature: 1.300000
Total energy: -112.067303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.067303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.258734 (E_RNA)
where:
Base-Base interactions energy: -57.724
where: short stacking energy: -33.098
Base-Backbone interact. energy: -0.419
local terms energy: -54.115889
where:
bonds (distance) C4'-P energy: -6.586
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -6.237
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -126.916669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.916669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.962858 (E_RNA)
where:
Base-Base interactions energy: -73.494
where: short stacking energy: -42.158
Base-Backbone interact. energy: 1.915
local terms energy: -55.384046
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -5.309
tors. eta vs tors. theta energy: -4.199
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -206.444117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.444117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.459045 (E_RNA)
where:
Base-Base interactions energy: -124.652
where: short stacking energy: -71.027
Base-Backbone interact. energy: -0.016
local terms energy: -81.790949
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -16.423
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -22.491
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -192.035026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.035026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.273337 (E_RNA)
where:
Base-Base interactions energy: -127.518
where: short stacking energy: -66.823
Base-Backbone interact. energy: -0.146
local terms energy: -64.609898
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -6.073
tors. eta vs tors. theta energy: -14.107
Dist. restrs. and SS energy: 0.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -176.519560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.519560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.519560 (E_RNA)
where:
Base-Base interactions energy: -102.073
where: short stacking energy: -62.070
Base-Backbone interact. energy: -0.321
local terms energy: -74.125507
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -19.099
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -164.781531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.781531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.040867 (E_RNA)
where:
Base-Base interactions energy: -96.024
where: short stacking energy: -49.616
Base-Backbone interact. energy: -0.449
local terms energy: -68.567645
where:
bonds (distance) C4'-P energy: -15.724
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -12.753
Dist. restrs. and SS energy: 0.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -158.315194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.315194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.431123 (E_RNA)
where:
Base-Base interactions energy: -90.202
where: short stacking energy: -50.955
Base-Backbone interact. energy: -0.018
local terms energy: -68.211520
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -9.633
Dist. restrs. and SS energy: 0.116 (S_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: -144.409333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.409333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.409333 (E_RNA)
where:
Base-Base interactions energy: -76.353
where: short stacking energy: -38.942
Base-Backbone interact. energy: -0.030
local terms energy: -68.026416
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -8.096
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -128.876157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.876157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.928833 (E_RNA)
where:
Base-Base interactions energy: -71.871
where: short stacking energy: -36.017
Base-Backbone interact. energy: 0.768
local terms energy: -57.826212
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -4.791
Dist. restrs. and SS energy: 0.053 (S_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: 287
Temperature: 1.250000
Total energy: -115.507348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.507348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.507665 (E_RNA)
where:
Base-Base interactions energy: -63.450
where: short stacking energy: -27.149
Base-Backbone interact. energy: -0.298
local terms energy: -51.759613
where:
bonds (distance) C4'-P energy: -9.668
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -6.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -127.461565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.461565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.468453 (E_RNA)
where:
Base-Base interactions energy: -75.842
where: short stacking energy: -40.200
Base-Backbone interact. energy: -0.148
local terms energy: -51.478564
where:
bonds (distance) C4'-P energy: -9.353
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -121.230138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.230138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.242707 (E_RNA)
where:
Base-Base interactions energy: -55.175
where: short stacking energy: -31.900
Base-Backbone interact. energy: -0.141
local terms energy: -65.926475
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -9.400
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -204.755530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.755530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.785688 (E_RNA)
where:
Base-Base interactions energy: -127.503
where: short stacking energy: -79.556
Base-Backbone interact. energy: -0.001
local terms energy: -77.282249
where:
bonds (distance) C4'-P energy: -12.697
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -22.209
Dist. restrs. and SS energy: 0.030 (S_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: 288
Temperature: 0.950000
Total energy: -189.806507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.806507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.928347 (E_RNA)
where:
Base-Base interactions energy: -117.439
where: short stacking energy: -62.905
Base-Backbone interact. energy: -0.007
local terms energy: -72.483260
where:
bonds (distance) C4'-P energy: -17.719
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -14.258
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -163.162411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.162411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.162411 (E_RNA)
where:
Base-Base interactions energy: -97.256
where: short stacking energy: -49.680
Base-Backbone interact. energy: -0.520
local terms energy: -65.386809
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -10.864
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -182.481945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.481945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.547904 (E_RNA)
where:
Base-Base interactions energy: -108.083
where: short stacking energy: -59.633
Base-Backbone interact. energy: -0.028
local terms energy: -74.437612
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -18.444
Dist. restrs. and SS energy: 0.066 (S_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: 288
Temperature: 1.100000
Total energy: -161.230090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.230090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.230090 (E_RNA)
where:
Base-Base interactions energy: -91.711
where: short stacking energy: -51.732
Base-Backbone interact. energy: -0.041
local terms energy: -69.477980
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -14.800
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -167.791206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.791206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.857384 (E_RNA)
where:
Base-Base interactions energy: -104.026
where: short stacking energy: -52.631
Base-Backbone interact. energy: -0.000
local terms energy: -63.831352
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -8.519
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -15.305
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -151.340751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.340751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.340751 (E_RNA)
where:
Base-Base interactions energy: -89.864
where: short stacking energy: -53.356
Base-Backbone interact. energy: -0.112
local terms energy: -61.365277
where:
bonds (distance) C4'-P energy: -11.169
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -5.071
tors. eta vs tors. theta energy: -15.046
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -129.177138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.177138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.177138 (E_RNA)
where:
Base-Base interactions energy: -77.555
where: short stacking energy: -38.091
Base-Backbone interact. energy: -1.079
local terms energy: -50.542715
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -9.190
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -4.673
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -132.935871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.935871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.954772 (E_RNA)
where:
Base-Base interactions energy: -79.280
where: short stacking energy: -43.935
Base-Backbone interact. energy: -0.439
local terms energy: -53.235183
where:
bonds (distance) C4'-P energy: -6.083
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -8.366
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -110.851684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.851684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.851684 (E_RNA)
where:
Base-Base interactions energy: -63.857
where: short stacking energy: -34.002
Base-Backbone interact. energy: -0.176
local terms energy: -46.818620
where:
bonds (distance) C4'-P energy: -9.489
bonds (distance) P-C4' energy: -11.594
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -1.457
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -196.387623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.387623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.420360 (E_RNA)
where:
Base-Base interactions energy: -119.722
where: short stacking energy: -67.510
Base-Backbone interact. energy: -0.143
local terms energy: -76.555446
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -18.867
Dist. restrs. and SS energy: 0.033 (S_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: 289
Temperature: 0.950000
Total energy: -184.759423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.759423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.799690 (E_RNA)
where:
Base-Base interactions energy: -109.571
where: short stacking energy: -60.973
Base-Backbone interact. energy: -0.391
local terms energy: -74.837161
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -15.123
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -173.206447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.206447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.422755 (E_RNA)
where:
Base-Base interactions energy: -98.409
where: short stacking energy: -46.392
Base-Backbone interact. energy: -0.120
local terms energy: -74.893721
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -15.300
Dist. restrs. and SS energy: 0.216 (S_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: 289
Temperature: 1.050000
Total energy: -169.203896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.203896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.233158 (E_RNA)
where:
Base-Base interactions energy: -97.823
where: short stacking energy: -48.308
Base-Backbone interact. energy: -0.026
local terms energy: -71.384152
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -18.560
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -15.830
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -167.878010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.878010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.899450 (E_RNA)
where:
Base-Base interactions energy: -96.482
where: short stacking energy: -62.424
Base-Backbone interact. energy: -0.034
local terms energy: -71.383644
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -16.071
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -150.536280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.536280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.536280 (E_RNA)
where:
Base-Base interactions energy: -81.974
where: short stacking energy: -55.087
Base-Backbone interact. energy: -0.283
local terms energy: -68.279364
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -11.741
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -17.170
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -152.120442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.120442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.120442 (E_RNA)
where:
Base-Base interactions energy: -85.960
where: short stacking energy: -49.154
Base-Backbone interact. energy: -0.015
local terms energy: -66.144971
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -14.852
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: 8, replica: 2
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -152.754547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.754547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.337131 (E_RNA)
where:
Base-Base interactions energy: -89.195
where: short stacking energy: -49.565
Base-Backbone interact. energy: -0.206
local terms energy: -63.936219
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -9.862
Dist. restrs. and SS energy: 0.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -121.036857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.036857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.103182 (E_RNA)
where:
Base-Base interactions energy: -65.415
where: short stacking energy: -33.500
Base-Backbone interact. energy: -0.261
local terms energy: -55.427659
where:
bonds (distance) C4'-P energy: -14.490
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -5.569
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -126.956789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.956789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.956789 (E_RNA)
where:
Base-Base interactions energy: -72.855
where: short stacking energy: -35.577
Base-Backbone interact. energy: 0.518
local terms energy: -54.619980
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -9.663
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -202.541178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.541178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.059680 (E_RNA)
where:
Base-Base interactions energy: -120.682
where: short stacking energy: -69.579
Base-Backbone interact. energy: -0.016
local terms energy: -82.361667
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -20.222
Dist. restrs. and SS energy: 0.519 (S_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: 290
Temperature: 0.950000
Total energy: -195.575493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.575493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.609790 (E_RNA)
where:
Base-Base interactions energy: -118.199
where: short stacking energy: -66.529
Base-Backbone interact. energy: -0.078
local terms energy: -77.332836
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -19.116
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -20.650
Dist. restrs. and SS energy: 0.034 (S_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: 290
Temperature: 1.000000
Total energy: -188.090044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.090044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.090044 (E_RNA)
where:
Base-Base interactions energy: -112.056
where: short stacking energy: -59.003
Base-Backbone interact. energy: -0.003
local terms energy: -76.031159
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -18.486
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -15.942
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -190.203157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.203157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.240666 (E_RNA)
where:
Base-Base interactions energy: -111.910
where: short stacking energy: -65.842
Base-Backbone interact. energy: -0.003
local terms energy: -78.327959
where:
bonds (distance) C4'-P energy: -13.898
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -19.908
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -154.158047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.158047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.027780 (E_RNA)
where:
Base-Base interactions energy: -89.834
where: short stacking energy: -45.725
Base-Backbone interact. energy: -0.195
local terms energy: -64.998435
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -17.788
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -8.114
Dist. restrs. and SS energy: 0.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -143.864819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.864819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.878027 (E_RNA)
where:
Base-Base interactions energy: -81.590
where: short stacking energy: -43.472
Base-Backbone interact. energy: 0.891
local terms energy: -63.179036
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -6.217
Dist. restrs. and SS energy: 0.013 (S_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: 290
Temperature: 1.200000
Total energy: -146.499736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.499736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.703782 (E_RNA)
where:
Base-Base interactions energy: -83.711
where: short stacking energy: -45.714
Base-Backbone interact. energy: 1.386
local terms energy: -64.378790
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -7.710
Dist. restrs. and SS energy: 0.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -164.089120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.089120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.089120 (E_RNA)
where:
Base-Base interactions energy: -91.993
where: short stacking energy: -47.856
Base-Backbone interact. energy: -0.004
local terms energy: -72.092072
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -16.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -135.034735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.034735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.034735 (E_RNA)
where:
Base-Base interactions energy: -77.291
where: short stacking energy: -42.694
Base-Backbone interact. energy: 0.043
local terms energy: -57.786887
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -6.434
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: 10, replica: 6
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -108.311278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.311278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.372988 (E_RNA)
where:
Base-Base interactions energy: -52.511
where: short stacking energy: -28.512
Base-Backbone interact. energy: -0.241
local terms energy: -55.620836
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -5.108
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -194.352663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.352663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.601925 (E_RNA)
where:
Base-Base interactions energy: -112.099
where: short stacking energy: -63.145
Base-Backbone interact. energy: -0.038
local terms energy: -82.465791
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -21.573
Dist. restrs. and SS energy: 0.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -177.894045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.894045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.232283 (E_RNA)
where:
Base-Base interactions energy: -109.543
where: short stacking energy: -60.574
Base-Backbone interact. energy: -0.087
local terms energy: -68.602531
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -11.358
Dist. restrs. and SS energy: 0.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -174.961596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.961596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.145787 (E_RNA)
where:
Base-Base interactions energy: -101.097
where: short stacking energy: -53.459
Base-Backbone interact. energy: -0.060
local terms energy: -73.988606
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -13.149
tors. eta vs tors. theta energy: -14.423
Dist. restrs. and SS energy: 0.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -165.103361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.103361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.173468 (E_RNA)
where:
Base-Base interactions energy: -98.660
where: short stacking energy: -50.829
Base-Backbone interact. energy: -0.296
local terms energy: -66.217175
where:
bonds (distance) C4'-P energy: -10.763
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -11.453
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -176.995206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.995206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.601999 (E_RNA)
where:
Base-Base interactions energy: -103.011
where: short stacking energy: -58.852
Base-Backbone interact. energy: -0.097
local terms energy: -74.493937
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -17.665
Dist. restrs. and SS energy: 0.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -168.356411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.356411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.356921 (E_RNA)
where:
Base-Base interactions energy: -105.233
where: short stacking energy: -55.544
Base-Backbone interact. energy: 0.291
local terms energy: -63.415321
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -13.538
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -5.224
tors. eta vs tors. theta energy: -13.638
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -143.311488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.311488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.311488 (E_RNA)
where:
Base-Base interactions energy: -89.619
where: short stacking energy: -45.852
Base-Backbone interact. energy: 0.824
local terms energy: -54.515951
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -2.923
tors. eta vs tors. theta energy: -8.987
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -140.067303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.067303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.197938 (E_RNA)
where:
Base-Base interactions energy: -80.943
where: short stacking energy: -38.021
Base-Backbone interact. energy: -0.286
local terms energy: -58.969184
where:
bonds (distance) C4'-P energy: -13.691
bonds (distance) P-C4' energy: -12.041
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -2.903
tors. eta vs tors. theta energy: -15.000
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -127.468969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.468969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.468969 (E_RNA)
where:
Base-Base interactions energy: -69.699
where: short stacking energy: -40.330
Base-Backbone interact. energy: -0.053
local terms energy: -57.717027
where:
bonds (distance) C4'-P energy: -17.678
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -14.881
tors. eta vs tors. theta energy: -2.678
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: 6
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -137.267658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.267658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.278585 (E_RNA)
where:
Base-Base interactions energy: -82.952
where: short stacking energy: -35.697
Base-Backbone interact. energy: -2.022
local terms energy: -52.303831
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -8.769
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -8.535
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -205.844070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.844070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.013187 (E_RNA)
where:
Base-Base interactions energy: -125.292
where: short stacking energy: -73.635
Base-Backbone interact. energy: -0.035
local terms energy: -80.686548
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -14.340
tors. eta vs tors. theta energy: -19.150
Dist. restrs. and SS energy: 0.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -189.858013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.858013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.879467 (E_RNA)
where:
Base-Base interactions energy: -112.236
where: short stacking energy: -65.967
Base-Backbone interact. energy: -0.005
local terms energy: -77.638827
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -18.607
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -165.826754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.826754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.826754 (E_RNA)
where:
Base-Base interactions energy: -101.475
where: short stacking energy: -51.324
Base-Backbone interact. energy: -0.525
local terms energy: -63.826007
where:
bonds (distance) C4'-P energy: -7.407
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -10.697
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -180.639743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.639743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.926400 (E_RNA)
where:
Base-Base interactions energy: -113.005
where: short stacking energy: -62.520
Base-Backbone interact. energy: -0.221
local terms energy: -67.700455
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -6.766
tors. eta vs tors. theta energy: -19.228
Dist. restrs. and SS energy: 0.287 (S_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: 292
Temperature: 1.100000
Total energy: -130.428043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.428043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.435910 (E_RNA)
where:
Base-Base interactions energy: -73.724
where: short stacking energy: -44.362
Base-Backbone interact. energy: -0.321
local terms energy: -56.390184
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -12.185
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -6.697
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -162.243806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.243806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.588716 (E_RNA)
where:
Base-Base interactions energy: -97.967
where: short stacking energy: -50.503
Base-Backbone interact. energy: -0.136
local terms energy: -64.485741
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -5.155
tors. eta vs tors. theta energy: -14.783
Dist. restrs. and SS energy: 0.345 (S_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: 292
Temperature: 1.200000
Total energy: -129.200137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.200137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.211046 (E_RNA)
where:
Base-Base interactions energy: -75.666
where: short stacking energy: -41.724
Base-Backbone interact. energy: 0.532
local terms energy: -54.077301
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -4.312
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -8.496
Dist. restrs. and SS energy: 0.011 (S_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: 292
Temperature: 1.250000
Total energy: -141.846527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.846527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.320607 (E_RNA)
where:
Base-Base interactions energy: -82.044
where: short stacking energy: -39.084
Base-Backbone interact. energy: 0.916
local terms energy: -61.191653
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -11.092
Dist. restrs. and SS energy: 0.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -132.111168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.111168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.111168 (E_RNA)
where:
Base-Base interactions energy: -75.699
where: short stacking energy: -44.803
Base-Backbone interact. energy: -0.099
local terms energy: -56.314093
where:
bonds (distance) C4'-P energy: -9.663
bonds (distance) P-C4' energy: -15.984
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -4.517
tors. eta vs tors. theta energy: -10.622
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -141.078948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.078948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.161560 (E_RNA)
where:
Base-Base interactions energy: -78.025
where: short stacking energy: -42.789
Base-Backbone interact. energy: -0.110
local terms energy: -63.026507
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: -10.500
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -209.090037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.090037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.148797 (E_RNA)
where:
Base-Base interactions energy: -124.487
where: short stacking energy: -73.911
Base-Backbone interact. energy: -0.001
local terms energy: -84.660713
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -14.134
tors. eta vs tors. theta energy: -21.629
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. 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: -184.060021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.060021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.070360 (E_RNA)
where:
Base-Base interactions energy: -114.894
where: short stacking energy: -60.789
Base-Backbone interact. energy: -0.071
local terms energy: -69.105265
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -15.102
Dist. restrs. and SS energy: 0.010 (S_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: 293
Temperature: 1.000000
Total energy: -189.738986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.738986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.939189 (E_RNA)
where:
Base-Base interactions energy: -120.819
where: short stacking energy: -60.465
Base-Backbone interact. energy: -0.049
local terms energy: -69.070549
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -15.289
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -179.934956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.934956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.941554 (E_RNA)
where:
Base-Base interactions energy: -111.260
where: short stacking energy: -64.945
Base-Backbone interact. energy: -0.017
local terms energy: -68.664352
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -12.181
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -17.036
Dist. restrs. and SS energy: 0.007 (S_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: 293
Temperature: 1.100000
Total energy: -141.684577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.684577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.684577 (E_RNA)
where:
Base-Base interactions energy: -81.682
where: short stacking energy: -45.865
Base-Backbone interact. energy: -0.012
local terms energy: -59.990335
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -10.584
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -8.714
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: 7
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -138.261522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.261522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.263954 (E_RNA)
where:
Base-Base interactions energy: -80.374
where: short stacking energy: -47.028
Base-Backbone interact. energy: -0.042
local terms energy: -57.848093
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -9.275
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -128.629345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.629345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.688422 (E_RNA)
where:
Base-Base interactions energy: -67.643
where: short stacking energy: -37.921
Base-Backbone interact. energy: -1.567
local terms energy: -59.478961
where:
bonds (distance) C4'-P energy: -11.807
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -8.590
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -117.868551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.868551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.868551 (E_RNA)
where:
Base-Base interactions energy: -65.080
where: short stacking energy: -31.639
Base-Backbone interact. energy: -0.112
local terms energy: -52.677197
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -9.240
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -5.777
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -137.041304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.041304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.715593 (E_RNA)
where:
Base-Base interactions energy: -85.410
where: short stacking energy: -40.030
Base-Backbone interact. energy: -0.215
local terms energy: -52.091351
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -9.551
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -4.408
tors. eta vs tors. theta energy: -8.437
Dist. restrs. and SS energy: 0.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -130.209168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.209168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.209168 (E_RNA)
where:
Base-Base interactions energy: -79.550
where: short stacking energy: -43.741
Base-Backbone interact. energy: -0.244
local terms energy: -50.415179
where:
bonds (distance) C4'-P energy: -9.820
bonds (distance) P-C4' energy: -12.811
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -4.634
tors. eta vs tors. theta energy: -9.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -201.604426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.604426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.783904 (E_RNA)
where:
Base-Base interactions energy: -126.969
where: short stacking energy: -69.900
Base-Backbone interact. energy: -0.052
local terms energy: -74.762524
where:
bonds (distance) C4'-P energy: -17.252
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -21.132
Dist. restrs. and SS energy: 0.179 (S_DIST_RNA)
chem. 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: -178.766491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.766491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.036530 (E_RNA)
where:
Base-Base interactions energy: -101.589
where: short stacking energy: -53.861
Base-Backbone interact. energy: -0.019
local terms energy: -77.428324
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -18.531
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -181.466985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.466985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.634092 (E_RNA)
where:
Base-Base interactions energy: -114.512
where: short stacking energy: -65.432
Base-Backbone interact. energy: 0.163
local terms energy: -67.284719
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -9.485
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -18.067
Dist. restrs. and SS energy: 0.167 (S_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: 294
Temperature: 1.050000
Total energy: -170.285004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.285004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.285004 (E_RNA)
where:
Base-Base interactions energy: -102.022
where: short stacking energy: -54.971
Base-Backbone interact. energy: -0.112
local terms energy: -68.151647
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -10.956
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -151.695633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.695633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.069541 (E_RNA)
where:
Base-Base interactions energy: -90.054
where: short stacking energy: -45.158
Base-Backbone interact. energy: -0.011
local terms energy: -62.004244
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -11.190
Dist. restrs. and SS energy: 0.374 (S_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: 294
Temperature: 1.150000
Total energy: -141.335588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.335588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.355561 (E_RNA)
where:
Base-Base interactions energy: -78.543
where: short stacking energy: -43.763
Base-Backbone interact. energy: -0.131
local terms energy: -62.681063
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -12.530
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -127.882066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.882066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.887696 (E_RNA)
where:
Base-Base interactions energy: -71.819
where: short stacking energy: -40.209
Base-Backbone interact. energy: -0.410
local terms energy: -55.658635
where:
bonds (distance) C4'-P energy: -18.816
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -4.642
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. 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: -144.236130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.236130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.437150 (E_RNA)
where:
Base-Base interactions energy: -81.955
where: short stacking energy: -36.362
Base-Backbone interact. energy: -0.332
local terms energy: -62.149881
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -12.204
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -11.188
Dist. restrs. and SS energy: 0.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -134.953730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.953730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.491766 (E_RNA)
where:
Base-Base interactions energy: -81.787
where: short stacking energy: -40.267
Base-Backbone interact. energy: -0.011
local terms energy: -53.694175
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -4.637
tors. eta vs tors. theta energy: -4.932
Dist. restrs. and SS energy: 0.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -111.562815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.562815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.806624 (E_RNA)
where:
Base-Base interactions energy: -69.116
where: short stacking energy: -29.041
Base-Backbone interact. energy: -0.319
local terms energy: -42.371276
where:
bonds (distance) C4'-P energy: -10.962
bonds (distance) P-C4' energy: -9.008
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: -1.955
Dist. restrs. and SS energy: 0.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -194.779849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.779849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.779849 (E_RNA)
where:
Base-Base interactions energy: -118.667
where: short stacking energy: -68.733
Base-Backbone interact. energy: -0.020
local terms energy: -76.093277
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -17.580
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -181.623586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.623586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.623586 (E_RNA)
where:
Base-Base interactions energy: -110.958
where: short stacking energy: -65.627
Base-Backbone interact. energy: -0.082
local terms energy: -70.583765
where:
bonds (distance) C4'-P energy: -10.530
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: -19.241
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -181.284810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.284810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.545782 (E_RNA)
where:
Base-Base interactions energy: -106.636
where: short stacking energy: -62.430
Base-Backbone interact. energy: -0.011
local terms energy: -74.898752
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -12.732
flat angles P-C4'-P energy: -14.095
tors. eta vs tors. theta energy: -18.422
Dist. restrs. and SS energy: 0.261 (S_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: 295
Temperature: 1.050000
Total energy: -172.271452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.271452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.278065 (E_RNA)
where:
Base-Base interactions energy: -96.497
where: short stacking energy: -50.269
Base-Backbone interact. energy: -0.040
local terms energy: -75.741553
where:
bonds (distance) C4'-P energy: -18.398
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -11.566
Dist. restrs. and SS energy: 0.007 (S_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: 295
Temperature: 1.100000
Total energy: -162.617124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.617124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.758908 (E_RNA)
where:
Base-Base interactions energy: -98.706
where: short stacking energy: -57.080
Base-Backbone interact. energy: -0.565
local terms energy: -63.488038
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -14.117
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -148.716228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.716228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.801910 (E_RNA)
where:
Base-Base interactions energy: -85.837
where: short stacking energy: -50.074
Base-Backbone interact. energy: -0.034
local terms energy: -62.930837
where:
bonds (distance) C4'-P energy: -13.409
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -8.770
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -152.114337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.114337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.281519 (E_RNA)
where:
Base-Base interactions energy: -91.165
where: short stacking energy: -41.078
Base-Backbone interact. energy: -0.132
local terms energy: -60.984060
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -11.098
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -11.615
Dist. restrs. and SS energy: 0.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -147.147079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.147079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.508862 (E_RNA)
where:
Base-Base interactions energy: -80.649
where: short stacking energy: -41.703
Base-Backbone interact. energy: -0.081
local terms energy: -66.778576
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -12.285
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -7.141
tors. eta vs tors. theta energy: -14.436
Dist. restrs. and SS energy: 0.362 (S_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: 295
Temperature: 1.300000
Total energy: -144.166881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.166881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.177971 (E_RNA)
where:
Base-Base interactions energy: -86.513
where: short stacking energy: -40.927
Base-Backbone interact. energy: 0.694
local terms energy: -58.359418
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -8.912
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -142.864832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.864832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.490498 (E_RNA)
where:
Base-Base interactions energy: -81.484
where: short stacking energy: -44.094
Base-Backbone interact. energy: -0.053
local terms energy: -61.953042
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -8.290
Dist. restrs. and SS energy: 0.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -205.838882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.838882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.884744 (E_RNA)
where:
Base-Base interactions energy: -127.167
where: short stacking energy: -74.645
Base-Backbone interact. energy: -0.030
local terms energy: -78.687827
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -18.799
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -20.605
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. 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: -171.721184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.721184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.850477 (E_RNA)
where:
Base-Base interactions energy: -106.857
where: short stacking energy: -58.564
Base-Backbone interact. energy: -0.713
local terms energy: -64.280624
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -12.082
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -15.786
Dist. restrs. and SS energy: 0.129 (S_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: 296
Temperature: 1.000000
Total energy: -183.679074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.679074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.694801 (E_RNA)
where:
Base-Base interactions energy: -113.802
where: short stacking energy: -61.303
Base-Backbone interact. energy: -0.027
local terms energy: -69.865918
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -13.489
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -178.472079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.472079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.546357 (E_RNA)
where:
Base-Base interactions energy: -111.359
where: short stacking energy: -65.169
Base-Backbone interact. energy: -0.107
local terms energy: -67.080721
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -18.507
Dist. restrs. and SS energy: 0.074 (S_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: 296
Temperature: 1.100000
Total energy: -157.268069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.268069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.504914 (E_RNA)
where:
Base-Base interactions energy: -95.988
where: short stacking energy: -43.188
Base-Backbone interact. energy: 1.207
local terms energy: -62.723648
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -14.404
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -12.491
Dist. restrs. and SS energy: 0.237 (S_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: 296
Temperature: 1.150000
Total energy: -155.165746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.165746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.176397 (E_RNA)
where:
Base-Base interactions energy: -85.762
where: short stacking energy: -51.329
Base-Backbone interact. energy: -0.205
local terms energy: -69.209129
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -17.226
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -15.599
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -140.663234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.663234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.036347 (E_RNA)
where:
Base-Base interactions energy: -86.310
where: short stacking energy: -39.512
Base-Backbone interact. energy: -0.232
local terms energy: -54.493807
where:
bonds (distance) C4'-P energy: -10.921
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -7.576
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -9.645
Dist. restrs. and SS energy: 0.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -142.786757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.786757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.855736 (E_RNA)
where:
Base-Base interactions energy: -82.782
where: short stacking energy: -45.109
Base-Backbone interact. energy: -0.133
local terms energy: -59.941237
where:
bonds (distance) C4'-P energy: -8.177
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -15.215
tors. eta vs tors. theta energy: -10.180
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -130.973895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.973895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.588672 (E_RNA)
where:
Base-Base interactions energy: -83.191
where: short stacking energy: -42.188
Base-Backbone interact. energy: 0.788
local terms energy: -49.185622
where:
bonds (distance) C4'-P energy: -12.565
bonds (distance) P-C4' energy: -10.707
flat angles C4'-P-C4' energy: -11.205
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: -6.864
Dist. restrs. and SS energy: 0.615 (S_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: 296
Temperature: 1.350000
Total energy: -141.540698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.540698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.542852 (E_RNA)
where:
Base-Base interactions energy: -78.714
where: short stacking energy: -38.314
Base-Backbone interact. energy: -1.140
local terms energy: -61.688964
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -7.416
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -13.581
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -206.452806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.452806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.742719 (E_RNA)
where:
Base-Base interactions energy: -122.502
where: short stacking energy: -76.067
Base-Backbone interact. energy: -0.065
local terms energy: -84.174960
where:
bonds (distance) C4'-P energy: -17.628
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -21.137
Dist. restrs. and SS energy: 0.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -178.985994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.985994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.335214 (E_RNA)
where:
Base-Base interactions energy: -116.064
where: short stacking energy: -55.306
Base-Backbone interact. energy: -0.082
local terms energy: -63.189557
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -11.579
Dist. restrs. and SS energy: 0.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -166.234209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.234209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.432171 (E_RNA)
where:
Base-Base interactions energy: -106.709
where: short stacking energy: -57.898
Base-Backbone interact. energy: -0.185
local terms energy: -59.538202
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -11.524
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -14.188
Dist. restrs. and SS energy: 0.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -188.650184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.650184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.650184 (E_RNA)
where:
Base-Base interactions energy: -107.822
where: short stacking energy: -63.831
Base-Backbone interact. energy: -0.003
local terms energy: -80.824878
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -19.796
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: 5, replica: 2
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -150.472107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.472107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.791121 (E_RNA)
where:
Base-Base interactions energy: -88.099
where: short stacking energy: -45.822
Base-Backbone interact. energy: -0.232
local terms energy: -62.459840
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -10.141
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -11.980
Dist. restrs. and SS energy: 0.319 (S_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: 297
Temperature: 1.150000
Total energy: -146.375907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.375907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.680005 (E_RNA)
where:
Base-Base interactions energy: -84.394
where: short stacking energy: -40.043
Base-Backbone interact. energy: 0.764
local terms energy: -63.050431
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -10.522
Dist. restrs. and SS energy: 0.304 (S_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: 297
Temperature: 1.200000
Total energy: -164.811050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.811050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.868349 (E_RNA)
where:
Base-Base interactions energy: -100.621
where: short stacking energy: -51.732
Base-Backbone interact. energy: 0.934
local terms energy: -65.181803
where:
bonds (distance) C4'-P energy: -12.929
bonds (distance) P-C4' energy: -18.920
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -12.597
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -151.955496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.955496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.293872 (E_RNA)
where:
Base-Base interactions energy: -91.419
where: short stacking energy: -47.871
Base-Backbone interact. energy: -0.548
local terms energy: -60.326105
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: -8.992
Dist. restrs. and SS energy: 0.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -111.218078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.218078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.220697 (E_RNA)
where:
Base-Base interactions energy: -57.868
where: short stacking energy: -28.971
Base-Backbone interact. energy: -0.313
local terms energy: -53.040027
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -2.501
Dist. restrs. and SS energy: 0.003 (S_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: 297
Temperature: 1.350000
Total energy: -115.596271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.596271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.723013 (E_RNA)
where:
Base-Base interactions energy: -69.021
where: short stacking energy: -32.802
Base-Backbone interact. energy: -0.100
local terms energy: -46.602130
where:
bonds (distance) C4'-P energy: -6.502
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -9.030
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -6.563
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -200.082272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.082272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.082272 (E_RNA)
where:
Base-Base interactions energy: -124.563
where: short stacking energy: -70.631
Base-Backbone interact. energy: -0.017
local terms energy: -75.502129
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -18.543
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -195.795668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.795668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.862266 (E_RNA)
where:
Base-Base interactions energy: -112.737
where: short stacking energy: -59.390
Base-Backbone interact. energy: -0.220
local terms energy: -82.904814
where:
bonds (distance) C4'-P energy: -17.625
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -19.360
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -186.252558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.252558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.357779 (E_RNA)
where:
Base-Base interactions energy: -112.083
where: short stacking energy: -52.602
Base-Backbone interact. energy: -1.134
local terms energy: -73.140260
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -13.455
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -181.154043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.154043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.212397 (E_RNA)
where:
Base-Base interactions energy: -112.100
where: short stacking energy: -61.534
Base-Backbone interact. energy: -0.032
local terms energy: -69.080674
where:
bonds (distance) C4'-P energy: -18.684
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -13.257
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -167.743269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.743269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.743269 (E_RNA)
where:
Base-Base interactions energy: -102.917
where: short stacking energy: -46.425
Base-Backbone interact. energy: -0.251
local terms energy: -64.574710
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -9.680
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: 6, replica: 2
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -150.307847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.307847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.307847 (E_RNA)
where:
Base-Base interactions energy: -82.610
where: short stacking energy: -43.916
Base-Backbone interact. energy: -0.727
local terms energy: -66.970712
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -12.831
flat angles C4'-P-C4' energy: -17.346
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: -7.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -137.641156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.641156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.641156 (E_RNA)
where:
Base-Base interactions energy: -83.919
where: short stacking energy: -46.374
Base-Backbone interact. energy: -0.002
local terms energy: -53.720211
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -5.889
tors. eta vs tors. theta energy: -4.612
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -147.546060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.546060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.824147 (E_RNA)
where:
Base-Base interactions energy: -80.146
where: short stacking energy: -44.084
Base-Backbone interact. energy: -0.166
local terms energy: -67.512234
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -11.609
Dist. restrs. and SS energy: 0.278 (S_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: 298
Temperature: 1.300000
Total energy: -134.881058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.881058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.881058 (E_RNA)
where:
Base-Base interactions energy: -70.781
where: short stacking energy: -40.689
Base-Backbone interact. energy: -0.135
local terms energy: -63.965226
where:
bonds (distance) C4'-P energy: -12.842
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -8.835
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -126.995784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.995784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.003150 (E_RNA)
where:
Base-Base interactions energy: -72.655
where: short stacking energy: -40.615
Base-Backbone interact. energy: -0.166
local terms energy: -54.182259
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -10.254
flat angles P-C4'-P energy: -6.206
tors. eta vs tors. theta energy: -7.044
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -195.927280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.927280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.047667 (E_RNA)
where:
Base-Base interactions energy: -116.581
where: short stacking energy: -69.896
Base-Backbone interact. energy: -0.676
local terms energy: -78.789834
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -17.909
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. 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: -183.130280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.130280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.640043 (E_RNA)
where:
Base-Base interactions energy: -113.343
where: short stacking energy: -70.204
Base-Backbone interact. energy: -0.002
local terms energy: -70.294940
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -18.293
Dist. restrs. and SS energy: 0.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -173.669980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.669980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.740923 (E_RNA)
where:
Base-Base interactions energy: -99.976
where: short stacking energy: -53.996
Base-Backbone interact. energy: -0.242
local terms energy: -73.522803
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -11.993
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -167.742472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.742472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.270314 (E_RNA)
where:
Base-Base interactions energy: -95.436
where: short stacking energy: -60.935
Base-Backbone interact. energy: -0.098
local terms energy: -72.736092
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -18.189
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -14.787
Dist. restrs. and SS energy: 0.528 (S_DIST_RNA)
chem. 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: -158.134933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.134933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.447967 (E_RNA)
where:
Base-Base interactions energy: -96.638
where: short stacking energy: -51.202
Base-Backbone interact. energy: 0.081
local terms energy: -61.891357
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -4.980
tors. eta vs tors. theta energy: -11.410
Dist. restrs. and SS energy: 0.313 (S_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: 299
Temperature: 1.150000
Total energy: -161.670769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.670769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.671981 (E_RNA)
where:
Base-Base interactions energy: -97.069
where: short stacking energy: -59.700
Base-Backbone interact. energy: -0.149
local terms energy: -64.454851
where:
bonds (distance) C4'-P energy: -8.807
bonds (distance) P-C4' energy: -19.582
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -12.168
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -147.161861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.161861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.448690 (E_RNA)
where:
Base-Base interactions energy: -89.030
where: short stacking energy: -46.311
Base-Backbone interact. energy: -0.119
local terms energy: -58.299744
where:
bonds (distance) C4'-P energy: -10.466
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -10.017
Dist. restrs. and SS energy: 0.287 (S_DIST_RNA)
chem. 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: -161.516233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.516233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.098178 (E_RNA)
where:
Base-Base interactions energy: -91.535
where: short stacking energy: -52.190
Base-Backbone interact. energy: 0.008
local terms energy: -70.571884
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -12.318
Dist. restrs. and SS energy: 0.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -132.466693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.466693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.624455 (E_RNA)
where:
Base-Base interactions energy: -80.126
where: short stacking energy: -40.612
Base-Backbone interact. energy: -0.197
local terms energy: -52.301022
where:
bonds (distance) C4'-P energy: -12.139
bonds (distance) P-C4' energy: -18.263
flat angles C4'-P-C4' energy: -7.449
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -5.935
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -122.720712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.720712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.817427 (E_RNA)
where:
Base-Base interactions energy: -66.840
where: short stacking energy: -38.015
Base-Backbone interact. energy: -0.027
local terms energy: -55.950697
where:
bonds (distance) C4'-P energy: -10.193
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -4.976
Dist. restrs. and SS energy: 0.097 (S_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: 300
Temperature: 0.900000
Total energy: -204.715284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.715284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.277756 (E_RNA)
where:
Base-Base interactions energy: -125.992
where: short stacking energy: -66.416
Base-Backbone interact. energy: -0.001
local terms energy: -79.285602
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -17.600
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -21.715
Dist. restrs. and SS energy: 0.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -190.251239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.251239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.251239 (E_RNA)
where:
Base-Base interactions energy: -110.268
where: short stacking energy: -69.232
Base-Backbone interact. energy: 0.272
local terms energy: -80.255802
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -21.774
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -167.273328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.273328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.562927 (E_RNA)
where:
Base-Base interactions energy: -100.228
where: short stacking energy: -45.580
Base-Backbone interact. energy: -0.031
local terms energy: -67.304154
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -10.438
Dist. restrs. and SS energy: 0.290 (S_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: 300
Temperature: 1.050000
Total energy: -171.780985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.780985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.780985 (E_RNA)
where:
Base-Base interactions energy: -96.873
where: short stacking energy: -49.858
Base-Backbone interact. energy: -0.089
local terms energy: -74.819450
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -14.327
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -153.546958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.546958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.562287 (E_RNA)
where:
Base-Base interactions energy: -92.752
where: short stacking energy: -56.006
Base-Backbone interact. energy: 0.038
local terms energy: -60.848952
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -11.130
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -12.053
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -164.923413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.923413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.927023 (E_RNA)
where:
Base-Base interactions energy: -97.469
where: short stacking energy: -60.644
Base-Backbone interact. energy: -0.005
local terms energy: -67.453334
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -14.408
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -155.749458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.749458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.801465 (E_RNA)
where:
Base-Base interactions energy: -84.796
where: short stacking energy: -53.301
Base-Backbone interact. energy: -0.585
local terms energy: -70.419756
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -14.741
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -128.563359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.563359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.571007 (E_RNA)
where:
Base-Base interactions energy: -82.004
where: short stacking energy: -46.195
Base-Backbone interact. energy: -0.041
local terms energy: -46.526461
where:
bonds (distance) C4'-P energy: -6.796
bonds (distance) P-C4' energy: -12.484
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -3.733
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -110.843214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.843214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.906852 (E_RNA)
where:
Base-Base interactions energy: -65.593
where: short stacking energy: -34.695
Base-Backbone interact. energy: -0.203
local terms energy: -45.111094
where:
bonds (distance) C4'-P energy: -7.507
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -9.350
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: 0.517
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -129.766624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.766624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.793877 (E_RNA)
where:
Base-Base interactions energy: -67.467
where: short stacking energy: -37.889
Base-Backbone interact. energy: -0.291
local terms energy: -62.035293
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -5.814
Dist. restrs. and SS energy: 0.027 (S_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: 301
Temperature: 0.900000
Total energy: -195.325746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.325746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.506006 (E_RNA)
where:
Base-Base interactions energy: -112.504
where: short stacking energy: -59.922
Base-Backbone interact. energy: -0.074
local terms energy: -82.928724
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -20.000
Dist. restrs. and SS energy: 0.180 (S_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: 301
Temperature: 0.950000
Total energy: -173.009311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.009311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.009311 (E_RNA)
where:
Base-Base interactions energy: -99.820
where: short stacking energy: -59.810
Base-Backbone interact. energy: -0.004
local terms energy: -73.185321
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -18.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -189.115818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.115818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.115818 (E_RNA)
where:
Base-Base interactions energy: -113.035
where: short stacking energy: -68.834
Base-Backbone interact. energy: -0.113
local terms energy: -75.967467
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -21.904
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -141.204884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.204884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.243278 (E_RNA)
where:
Base-Base interactions energy: -72.014
where: short stacking energy: -46.060
Base-Backbone interact. energy: -0.114
local terms energy: -69.114881
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -10.282
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -167.447780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.447780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.447780 (E_RNA)
where:
Base-Base interactions energy: -89.210
where: short stacking energy: -55.215
Base-Backbone interact. energy: -0.620
local terms energy: -77.617978
where:
bonds (distance) C4'-P energy: -17.153
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -19.183
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -13.526
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -168.853986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.853986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.934304 (E_RNA)
where:
Base-Base interactions energy: -102.091
where: short stacking energy: -56.151
Base-Backbone interact. energy: 0.823
local terms energy: -67.666644
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -17.110
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -151.740082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.740082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.116382 (E_RNA)
where:
Base-Base interactions energy: -85.449
where: short stacking energy: -43.762
Base-Backbone interact. energy: -0.021
local terms energy: -66.646616
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -12.339
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -6.868
tors. eta vs tors. theta energy: -13.517
Dist. restrs. and SS energy: 0.376 (S_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: 301
Temperature: 1.250000
Total energy: -121.383511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.383511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.514129 (E_RNA)
where:
Base-Base interactions energy: -69.265
where: short stacking energy: -44.021
Base-Backbone interact. energy: -0.174
local terms energy: -52.074696
where:
bonds (distance) C4'-P energy: -11.811
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -11.906
flat angles P-C4'-P energy: -5.942
tors. eta vs tors. theta energy: -8.167
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -142.613320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.613320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.655009 (E_RNA)
where:
Base-Base interactions energy: -80.653
where: short stacking energy: -42.730
Base-Backbone interact. energy: -0.083
local terms energy: -61.918836
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -12.163
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -120.794138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.794138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.794138 (E_RNA)
where:
Base-Base interactions energy: -73.857
where: short stacking energy: -36.404
Base-Backbone interact. energy: -0.845
local terms energy: -46.092119
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -10.037
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -4.302
tors. eta vs tors. theta energy: -8.980
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -190.024634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.024634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.325294 (E_RNA)
where:
Base-Base interactions energy: -124.310
where: short stacking energy: -71.854
Base-Backbone interact. energy: -0.034
local terms energy: -65.981555
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -10.755
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -13.707
Dist. restrs. and SS energy: 0.301 (S_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: 302
Temperature: 0.950000
Total energy: -186.527288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.527288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.552438 (E_RNA)
where:
Base-Base interactions energy: -106.940
where: short stacking energy: -72.751
Base-Backbone interact. energy: -0.073
local terms energy: -79.539823
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -20.535
Dist. restrs. and SS energy: 0.025 (S_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: 302
Temperature: 1.000000
Total energy: -184.928394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.928394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.096552 (E_RNA)
where:
Base-Base interactions energy: -114.129
where: short stacking energy: -58.749
Base-Backbone interact. energy: -0.132
local terms energy: -70.835144
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -15.397
Dist. restrs. and SS energy: 0.168 (S_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: 302
Temperature: 1.050000
Total energy: -144.609933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.609933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.609933 (E_RNA)
where:
Base-Base interactions energy: -78.264
where: short stacking energy: -41.842
Base-Backbone interact. energy: -0.423
local terms energy: -65.923456
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -9.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -167.276282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.276282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.393062 (E_RNA)
where:
Base-Base interactions energy: -106.898
where: short stacking energy: -51.970
Base-Backbone interact. energy: -0.089
local terms energy: -60.406525
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -18.486
flat angles C4'-P-C4' energy: -11.546
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -10.175
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -143.480812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.480812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.515902 (E_RNA)
where:
Base-Base interactions energy: -83.789
where: short stacking energy: -41.474
Base-Backbone interact. energy: -0.096
local terms energy: -59.631104
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -10.768
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -10.635
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -133.011828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.011828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.011828 (E_RNA)
where:
Base-Base interactions energy: -72.849
where: short stacking energy: -40.550
Base-Backbone interact. energy: -0.249
local terms energy: -59.913491
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -5.371
tors. eta vs tors. theta energy: -8.012
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -130.314968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.314968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.399920 (E_RNA)
where:
Base-Base interactions energy: -76.158
where: short stacking energy: -50.221
Base-Backbone interact. energy: -0.105
local terms energy: -54.136232
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -8.768
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -6.849
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -117.762877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.762877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.762877 (E_RNA)
where:
Base-Base interactions energy: -60.637
where: short stacking energy: -33.865
Base-Backbone interact. energy: -1.032
local terms energy: -56.093769
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -5.473
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -130.344352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.344352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.369541 (E_RNA)
where:
Base-Base interactions energy: -77.927
where: short stacking energy: -49.623
Base-Backbone interact. energy: 0.805
local terms energy: -53.247269
where:
bonds (distance) C4'-P energy: -9.642
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -12.447
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -8.730
Dist. restrs. and SS energy: 0.025 (S_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: 303
Temperature: 0.900000
Total energy: -189.570946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.570946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.570946 (E_RNA)
where:
Base-Base interactions energy: -116.496
where: short stacking energy: -62.176
Base-Backbone interact. energy: -0.012
local terms energy: -73.063573
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -14.512
flat angles C4'-P-C4' energy: -18.916
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -17.052
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: 5
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -192.095712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.095712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.305834 (E_RNA)
where:
Base-Base interactions energy: -114.714
where: short stacking energy: -62.488
Base-Backbone interact. energy: -0.696
local terms energy: -76.895935
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -16.205
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. 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: -175.974455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.974455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.974455 (E_RNA)
where:
Base-Base interactions energy: -110.072
where: short stacking energy: -55.157
Base-Backbone interact. energy: 0.678
local terms energy: -66.580849
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -12.093
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: 4, replica: 1
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -164.834741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.834741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.852861 (E_RNA)
where:
Base-Base interactions energy: -93.647
where: short stacking energy: -53.515
Base-Backbone interact. energy: -0.047
local terms energy: -71.159269
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -13.388
Dist. restrs. and SS energy: 0.018 (S_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: 303
Temperature: 1.100000
Total energy: -158.997016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.997016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.997016 (E_RNA)
where:
Base-Base interactions energy: -89.790
where: short stacking energy: -54.356
Base-Backbone interact. energy: -0.024
local terms energy: -69.183248
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -12.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -139.252303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.252303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.311673 (E_RNA)
where:
Base-Base interactions energy: -79.250
where: short stacking energy: -47.493
Base-Backbone interact. energy: -0.206
local terms energy: -59.854947
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -8.923
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -144.994732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.994732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.064062 (E_RNA)
where:
Base-Base interactions energy: -80.743
where: short stacking energy: -44.653
Base-Backbone interact. energy: -0.246
local terms energy: -64.075911
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -6.582
tors. eta vs tors. theta energy: -10.960
Dist. restrs. and SS energy: 0.069 (S_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: 303
Temperature: 1.250000
Total energy: -133.029942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.029942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.078274 (E_RNA)
where:
Base-Base interactions energy: -75.594
where: short stacking energy: -37.688
Base-Backbone interact. energy: 0.339
local terms energy: -57.823702
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -9.705
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -4.605
Dist. restrs. and SS energy: 0.048 (S_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: 303
Temperature: 1.300000
Total energy: -140.085070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.085070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.193825 (E_RNA)
where:
Base-Base interactions energy: -75.553
where: short stacking energy: -52.112
Base-Backbone interact. energy: -0.133
local terms energy: -65.507549
where:
bonds (distance) C4'-P energy: -15.864
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -12.642
Dist. restrs. and SS energy: 1.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -127.873680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.873680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.946661 (E_RNA)
where:
Base-Base interactions energy: -70.562
where: short stacking energy: -37.875
Base-Backbone interact. energy: -0.024
local terms energy: -57.361216
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -10.228
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -10.314
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -196.471954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.471954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.472584 (E_RNA)
where:
Base-Base interactions energy: -119.974
where: short stacking energy: -67.984
Base-Backbone interact. energy: -0.011
local terms energy: -76.486977
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -19.046
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. 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: -179.857696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.857696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.857696 (E_RNA)
where:
Base-Base interactions energy: -104.350
where: short stacking energy: -58.592
Base-Backbone interact. energy: -0.608
local terms energy: -74.900292
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -15.524
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -15.803
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -176.425190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.425190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.504772 (E_RNA)
where:
Base-Base interactions energy: -101.555
where: short stacking energy: -56.813
Base-Backbone interact. energy: -0.110
local terms energy: -74.839578
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -13.728
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -167.368567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.368567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.372245 (E_RNA)
where:
Base-Base interactions energy: -99.444
where: short stacking energy: -60.264
Base-Backbone interact. energy: -0.256
local terms energy: -67.672127
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -13.500
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -131.839178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.839178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.899778 (E_RNA)
where:
Base-Base interactions energy: -73.970
where: short stacking energy: -41.711
Base-Backbone interact. energy: -0.938
local terms energy: -56.991998
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -12.811
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -8.174
Dist. restrs. and SS energy: 0.061 (S_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: 304
Temperature: 1.150000
Total energy: -147.951716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.951716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.951716 (E_RNA)
where:
Base-Base interactions energy: -81.363
where: short stacking energy: -43.339
Base-Backbone interact. energy: -0.102
local terms energy: -66.487143
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: -9.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -160.280338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.280338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.280338 (E_RNA)
where:
Base-Base interactions energy: -94.076
where: short stacking energy: -55.246
Base-Backbone interact. energy: -0.224
local terms energy: -65.980810
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -13.414
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -114.243076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.243076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.393201 (E_RNA)
where:
Base-Base interactions energy: -58.741
where: short stacking energy: -29.137
Base-Backbone interact. energy: -0.991
local terms energy: -54.661602
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -11.638
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -2.844
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -145.201669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.201669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.218504 (E_RNA)
where:
Base-Base interactions energy: -89.158
where: short stacking energy: -39.457
Base-Backbone interact. energy: -0.115
local terms energy: -55.946146
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -17.760
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -3.984
tors. eta vs tors. theta energy: -7.315
Dist. restrs. and SS energy: 0.017 (S_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: 304
Temperature: 1.350000
Total energy: -118.840865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.840865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.096238 (E_RNA)
where:
Base-Base interactions energy: -64.431
where: short stacking energy: -32.072
Base-Backbone interact. energy: -0.027
local terms energy: -54.638456
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -15.726
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -4.861
tors. eta vs tors. theta energy: -6.728
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -198.811508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.811508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.821807 (E_RNA)
where:
Base-Base interactions energy: -118.954
where: short stacking energy: -63.884
Base-Backbone interact. energy: -0.061
local terms energy: -79.807184
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -13.198
tors. eta vs tors. theta energy: -18.037
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. 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: -193.180139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.180139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.454782 (E_RNA)
where:
Base-Base interactions energy: -114.808
where: short stacking energy: -68.498
Base-Backbone interact. energy: -0.018
local terms energy: -78.628681
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -20.969
Dist. restrs. and SS energy: 0.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -181.583332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.583332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.743266 (E_RNA)
where:
Base-Base interactions energy: -106.717
where: short stacking energy: -58.665
Base-Backbone interact. energy: -0.098
local terms energy: -74.928570
where:
bonds (distance) C4'-P energy: -18.039
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -14.428
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -166.072688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.072688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.072688 (E_RNA)
where:
Base-Base interactions energy: -97.464
where: short stacking energy: -57.698
Base-Backbone interact. energy: -0.001
local terms energy: -68.607631
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -12.649
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -154.809606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.809606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.834869 (E_RNA)
where:
Base-Base interactions energy: -85.176
where: short stacking energy: -48.207
Base-Backbone interact. energy: 0.265
local terms energy: -69.923468
where:
bonds (distance) C4'-P energy: -17.748
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -9.964
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -11.914
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -159.509518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.509518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.509518 (E_RNA)
where:
Base-Base interactions energy: -89.039
where: short stacking energy: -54.385
Base-Backbone interact. energy: -0.059
local terms energy: -70.412429
where:
bonds (distance) C4'-P energy: -17.525
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -11.697
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -136.499424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.499424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.525684 (E_RNA)
where:
Base-Base interactions energy: -73.423
where: short stacking energy: -39.057
Base-Backbone interact. energy: -0.127
local terms energy: -62.976506
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -7.967
Dist. restrs. and SS energy: 0.026 (S_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: 305
Temperature: 1.250000
Total energy: -122.661433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.661433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.884317 (E_RNA)
where:
Base-Base interactions energy: -64.665
where: short stacking energy: -38.223
Base-Backbone interact. energy: -0.155
local terms energy: -58.063938
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -6.976
tors. eta vs tors. theta energy: -7.512
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -127.170771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.170771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.170771 (E_RNA)
where:
Base-Base interactions energy: -73.445
where: short stacking energy: -38.411
Base-Backbone interact. energy: 0.354
local terms energy: -54.079134
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -9.310
flat angles P-C4'-P energy: -5.484
tors. eta vs tors. theta energy: -11.472
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: 10, replica: 8
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -121.757247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.757247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.757247 (E_RNA)
where:
Base-Base interactions energy: -79.350
where: short stacking energy: -41.560
Base-Backbone interact. energy: -0.066
local terms energy: -42.340682
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -8.609
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -0.986
tors. eta vs tors. theta energy: -5.842
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: 1, replica: 10
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -184.613706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.613706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.613706 (E_RNA)
where:
Base-Base interactions energy: -113.136
where: short stacking energy: -54.945
Base-Backbone interact. energy: -0.029
local terms energy: -71.447853
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -14.812
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -203.252284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.252284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.647587 (E_RNA)
where:
Base-Base interactions energy: -120.750
where: short stacking energy: -69.516
Base-Backbone interact. energy: -0.552
local terms energy: -82.345997
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: -18.450
Dist. restrs. and SS energy: 0.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -186.589551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.589551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.589551 (E_RNA)
where:
Base-Base interactions energy: -117.787
where: short stacking energy: -71.870
Base-Backbone interact. energy: -0.029
local terms energy: -68.773167
where:
bonds (distance) C4'-P energy: -9.330
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -7.197
tors. eta vs tors. theta energy: -17.944
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -171.357674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.357674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.441357 (E_RNA)
where:
Base-Base interactions energy: -92.560
where: short stacking energy: -58.345
Base-Backbone interact. energy: -0.643
local terms energy: -78.238797
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -19.067
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -169.907855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.907855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.910056 (E_RNA)
where:
Base-Base interactions energy: -94.878
where: short stacking energy: -50.355
Base-Backbone interact. energy: -0.567
local terms energy: -74.465671
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -16.243
Dist. restrs. and SS energy: 0.002 (S_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: 306
Temperature: 1.150000
Total energy: -154.268669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.268669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.359243 (E_RNA)
where:
Base-Base interactions energy: -91.608
where: short stacking energy: -51.711
Base-Backbone interact. energy: 1.128
local terms energy: -63.878925
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -13.360
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -142.922250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.922250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.922250 (E_RNA)
where:
Base-Base interactions energy: -83.420
where: short stacking energy: -48.655
Base-Backbone interact. energy: -0.318
local terms energy: -59.183937
where:
bonds (distance) C4'-P energy: -9.532
bonds (distance) P-C4' energy: -12.788
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -12.136
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: 2
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -144.032465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.032465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.064022 (E_RNA)
where:
Base-Base interactions energy: -85.541
where: short stacking energy: -48.306
Base-Backbone interact. energy: -0.190
local terms energy: -58.332396
where:
bonds (distance) C4'-P energy: -6.360
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: -9.383
Dist. restrs. and SS energy: 0.032 (S_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: 306
Temperature: 1.300000
Total energy: -134.631785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.631785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.639892 (E_RNA)
where:
Base-Base interactions energy: -80.216
where: short stacking energy: -43.342
Base-Backbone interact. energy: -0.324
local terms energy: -54.099629
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -4.171
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -127.399782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.399782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.399782 (E_RNA)
where:
Base-Base interactions energy: -70.260
where: short stacking energy: -32.668
Base-Backbone interact. energy: -0.037
local terms energy: -57.102622
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -4.689
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -195.300845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.300845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.452291 (E_RNA)
where:
Base-Base interactions energy: -113.105
where: short stacking energy: -64.671
Base-Backbone interact. energy: -0.030
local terms energy: -82.317530
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -19.153
Dist. restrs. and SS energy: 0.151 (S_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: 307
Temperature: 0.950000
Total energy: -197.845968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.845968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.109536 (E_RNA)
where:
Base-Base interactions energy: -120.335
where: short stacking energy: -68.775
Base-Backbone interact. energy: -0.002
local terms energy: -77.772379
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -17.473
Dist. restrs. and SS energy: 0.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -191.468650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.468650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.468650 (E_RNA)
where:
Base-Base interactions energy: -113.217
where: short stacking energy: -65.714
Base-Backbone interact. energy: -0.093
local terms energy: -78.158315
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -17.720
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -17.954
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -168.260210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.260210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.283300 (E_RNA)
where:
Base-Base interactions energy: -106.596
where: short stacking energy: -61.673
Base-Backbone interact. energy: -0.689
local terms energy: -60.997982
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -11.337
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -159.872258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.872258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.455688 (E_RNA)
where:
Base-Base interactions energy: -90.983
where: short stacking energy: -45.542
Base-Backbone interact. energy: 0.066
local terms energy: -69.538198
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -10.104
Dist. restrs. and SS energy: 0.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -161.943415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.943415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.943415 (E_RNA)
where:
Base-Base interactions energy: -91.616
where: short stacking energy: -49.336
Base-Backbone interact. energy: -0.027
local terms energy: -70.300538
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -13.869
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: 3
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -140.878030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.878030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.155430 (E_RNA)
where:
Base-Base interactions energy: -80.410
where: short stacking energy: -52.188
Base-Backbone interact. energy: 0.409
local terms energy: -61.154994
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -12.478
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: -14.374
Dist. restrs. and SS energy: 0.277 (S_DIST_RNA)
chem. 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: -134.372528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.372528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.398027 (E_RNA)
where:
Base-Base interactions energy: -76.706
where: short stacking energy: -34.656
Base-Backbone interact. energy: -0.745
local terms energy: -56.947405
where:
bonds (distance) C4'-P energy: -10.753
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -7.414
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. 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: -122.487776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.487776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.495974 (E_RNA)
where:
Base-Base interactions energy: -66.440
where: short stacking energy: -32.376
Base-Backbone interact. energy: -0.236
local terms energy: -55.820344
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -4.140
tors. eta vs tors. theta energy: -5.381
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -117.708545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.708545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.708545 (E_RNA)
where:
Base-Base interactions energy: -58.218
where: short stacking energy: -30.152
Base-Backbone interact. energy: -0.768
local terms energy: -58.722128
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -6.564
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: 308
Temperature: 0.900000
Total energy: -198.117945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.117945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.174354 (E_RNA)
where:
Base-Base interactions energy: -124.439
where: short stacking energy: -59.283
Base-Backbone interact. energy: -0.148
local terms energy: -73.587185
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -15.346
Dist. restrs. and SS energy: 0.056 (S_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: 308
Temperature: 0.950000
Total energy: -185.844297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.844297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.060027 (E_RNA)
where:
Base-Base interactions energy: -106.647
where: short stacking energy: -56.007
Base-Backbone interact. energy: -1.606
local terms energy: -77.807168
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -18.903
flat angles P-C4'-P energy: -15.054
tors. eta vs tors. theta energy: -15.392
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -190.312007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.312007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.312007 (E_RNA)
where:
Base-Base interactions energy: -118.992
where: short stacking energy: -68.883
Base-Backbone interact. energy: -0.255
local terms energy: -71.065012
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -18.885
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -165.864086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.864086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.782336 (E_RNA)
where:
Base-Base interactions energy: -99.266
where: short stacking energy: -58.295
Base-Backbone interact. energy: -0.412
local terms energy: -67.104923
where:
bonds (distance) C4'-P energy: -12.590
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -13.757
Dist. restrs. and SS energy: 0.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -158.892196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.892196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.012288 (E_RNA)
where:
Base-Base interactions energy: -93.080
where: short stacking energy: -58.601
Base-Backbone interact. energy: -0.222
local terms energy: -65.710420
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -12.935
Dist. restrs. and SS energy: 0.120 (S_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: 308
Temperature: 1.150000
Total energy: -131.628440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.628440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.641726 (E_RNA)
where:
Base-Base interactions energy: -75.126
where: short stacking energy: -35.256
Base-Backbone interact. energy: -0.500
local terms energy: -56.015740
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -6.175
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -147.673942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.673942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.686807 (E_RNA)
where:
Base-Base interactions energy: -92.067
where: short stacking energy: -47.823
Base-Backbone interact. energy: 3.611
local terms energy: -59.230640
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -6.709
tors. eta vs tors. theta energy: -11.104
Dist. restrs. and SS energy: 0.013 (S_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: 308
Temperature: 1.250000
Total energy: -131.770160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.770160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.770160 (E_RNA)
where:
Base-Base interactions energy: -81.786
where: short stacking energy: -30.177
Base-Backbone interact. energy: -0.070
local terms energy: -49.914917
where:
bonds (distance) C4'-P energy: -17.570
bonds (distance) P-C4' energy: -12.132
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -4.921
tors. eta vs tors. theta energy: 1.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -127.819713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.819713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.838478 (E_RNA)
where:
Base-Base interactions energy: -68.604
where: short stacking energy: -30.437
Base-Backbone interact. energy: -0.723
local terms energy: -58.512056
where:
bonds (distance) C4'-P energy: -15.861
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -3.368
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -110.970720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.970720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.035923 (E_RNA)
where:
Base-Base interactions energy: -62.065
where: short stacking energy: -35.784
Base-Backbone interact. energy: -0.263
local terms energy: -48.707481
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -9.508
flat angles P-C4'-P energy: -6.842
tors. eta vs tors. theta energy: -3.471
Dist. restrs. and SS energy: 0.065 (S_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: 309
Temperature: 0.900000
Total energy: -192.099453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.099453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.112022 (E_RNA)
where:
Base-Base interactions energy: -119.442
where: short stacking energy: -69.056
Base-Backbone interact. energy: -0.067
local terms energy: -72.602892
where:
bonds (distance) C4'-P energy: -16.626
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -16.705
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -198.539091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.539091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.548571 (E_RNA)
where:
Base-Base interactions energy: -123.225
where: short stacking energy: -73.921
Base-Backbone interact. energy: -0.096
local terms energy: -75.227741
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -20.973
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -174.098239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.098239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.266644 (E_RNA)
where:
Base-Base interactions energy: -105.835
where: short stacking energy: -53.016
Base-Backbone interact. energy: -0.057
local terms energy: -68.375386
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -8.177
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -13.352
Dist. restrs. and SS energy: 0.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -161.882717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.882717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.229474 (E_RNA)
where:
Base-Base interactions energy: -96.395
where: short stacking energy: -53.180
Base-Backbone interact. energy: 0.543
local terms energy: -66.377783
where:
bonds (distance) C4'-P energy: -15.745
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -10.043
Dist. restrs. and SS energy: 0.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -157.549637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.549637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.699456 (E_RNA)
where:
Base-Base interactions energy: -88.750
where: short stacking energy: -51.494
Base-Backbone interact. energy: -0.406
local terms energy: -68.543486
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -12.230
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -153.126701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.126701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.163921 (E_RNA)
where:
Base-Base interactions energy: -92.338
where: short stacking energy: -36.360
Base-Backbone interact. energy: -0.290
local terms energy: -60.536252
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -9.908
Dist. restrs. and SS energy: 0.037 (S_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: 309
Temperature: 1.200000
Total energy: -128.239859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.239859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.239859 (E_RNA)
where:
Base-Base interactions energy: -70.382
where: short stacking energy: -39.718
Base-Backbone interact. energy: -0.116
local terms energy: -57.741314
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -11.160
flat angles P-C4'-P energy: -7.214
tors. eta vs tors. theta energy: -9.420
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -140.599980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.599980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.633404 (E_RNA)
where:
Base-Base interactions energy: -82.186
where: short stacking energy: -45.025
Base-Backbone interact. energy: 0.403
local terms energy: -58.850548
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -7.838
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -12.171
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -134.502586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.502586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.520662 (E_RNA)
where:
Base-Base interactions energy: -81.316
where: short stacking energy: -41.252
Base-Backbone interact. energy: -0.142
local terms energy: -53.062248
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -11.406
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -5.498
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -115.924630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.924630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.924630 (E_RNA)
where:
Base-Base interactions energy: -57.932
where: short stacking energy: -29.659
Base-Backbone interact. energy: -0.396
local terms energy: -57.596227
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -5.299
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: 1, replica: 4
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -200.614871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.614871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.831715 (E_RNA)
where:
Base-Base interactions energy: -118.980
where: short stacking energy: -70.472
Base-Backbone interact. energy: -0.098
local terms energy: -81.753890
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -16.863
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -18.349
Dist. restrs. and SS energy: 0.217 (S_DIST_RNA)
chem. 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: -173.830140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.830140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.035783 (E_RNA)
where:
Base-Base interactions energy: -104.481
where: short stacking energy: -55.760
Base-Backbone interact. energy: -0.891
local terms energy: -68.663568
where:
bonds (distance) C4'-P energy: -11.294
bonds (distance) P-C4' energy: -18.887
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -15.639
Dist. restrs. and SS energy: 0.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -173.320032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.320032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.538593 (E_RNA)
where:
Base-Base interactions energy: -100.089
where: short stacking energy: -53.490
Base-Backbone interact. energy: -0.003
local terms energy: -73.447077
where:
bonds (distance) C4'-P energy: -16.772
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -15.470
Dist. restrs. and SS energy: 0.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -159.334782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.334782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.334782 (E_RNA)
where:
Base-Base interactions energy: -95.795
where: short stacking energy: -48.740
Base-Backbone interact. energy: 0.053
local terms energy: -63.592994
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -5.452
tors. eta vs tors. theta energy: -11.643
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: 5
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -153.294206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.294206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.322895 (E_RNA)
where:
Base-Base interactions energy: -88.381
where: short stacking energy: -52.026
Base-Backbone interact. energy: -0.127
local terms energy: -64.814403
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -16.251
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -9.273
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -162.433356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.433356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.800598 (E_RNA)
where:
Base-Base interactions energy: -99.488
where: short stacking energy: -51.621
Base-Backbone interact. energy: -0.015
local terms energy: -63.297570
where:
bonds (distance) C4'-P energy: -14.250
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -12.041
Dist. restrs. and SS energy: 0.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -155.980271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.980271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.985599 (E_RNA)
where:
Base-Base interactions energy: -91.787
where: short stacking energy: -45.785
Base-Backbone interact. energy: -0.378
local terms energy: -63.820215
where:
bonds (distance) C4'-P energy: -16.589
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -8.694
Dist. restrs. and SS energy: 0.005 (S_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: 310
Temperature: 1.250000
Total energy: -146.772981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.772981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.306609 (E_RNA)
where:
Base-Base interactions energy: -84.050
where: short stacking energy: -49.105
Base-Backbone interact. energy: -0.216
local terms energy: -63.040739
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -12.701
Dist. restrs. and SS energy: 0.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -131.649039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.649039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.945199 (E_RNA)
where:
Base-Base interactions energy: -74.083
where: short stacking energy: -35.785
Base-Backbone interact. energy: -1.180
local terms energy: -56.683113
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -7.193
Dist. restrs. and SS energy: 0.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -133.319969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.319969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.328509 (E_RNA)
where:
Base-Base interactions energy: -75.976
where: short stacking energy: -33.952
Base-Backbone interact. energy: 2.703
local terms energy: -60.056018
where:
bonds (distance) C4'-P energy: -10.780
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -10.310
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -195.422675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.422675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.512671 (E_RNA)
where:
Base-Base interactions energy: -117.155
where: short stacking energy: -72.032
Base-Backbone interact. energy: -0.119
local terms energy: -78.238643
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -19.563
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. 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: -175.865915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.865915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.400524 (E_RNA)
where:
Base-Base interactions energy: -101.053
where: short stacking energy: -53.460
Base-Backbone interact. energy: -0.195
local terms energy: -75.152466
where:
bonds (distance) C4'-P energy: -18.075
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -18.907
flat angles P-C4'-P energy: -12.872
tors. eta vs tors. theta energy: -8.466
Dist. restrs. and SS energy: 0.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -176.116593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.116593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.586971 (E_RNA)
where:
Base-Base interactions energy: -99.854
where: short stacking energy: -55.440
Base-Backbone interact. energy: -0.504
local terms energy: -76.228695
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -19.032
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -14.034
Dist. restrs. and SS energy: 0.470 (S_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: 311
Temperature: 1.050000
Total energy: -175.721760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.721760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.965672 (E_RNA)
where:
Base-Base interactions energy: -106.319
where: short stacking energy: -61.533
Base-Backbone interact. energy: 0.281
local terms energy: -69.928066
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -15.025
Dist. restrs. and SS energy: 0.244 (S_DIST_RNA)
chem. 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: -156.407520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.407520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.442765 (E_RNA)
where:
Base-Base interactions energy: -93.698
where: short stacking energy: -47.445
Base-Backbone interact. energy: -0.658
local terms energy: -62.086572
where:
bonds (distance) C4'-P energy: -14.833
bonds (distance) P-C4' energy: -13.965
flat angles C4'-P-C4' energy: -10.902
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: -8.994
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -147.336686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.336686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.336686 (E_RNA)
where:
Base-Base interactions energy: -82.583
where: short stacking energy: -48.875
Base-Backbone interact. energy: -0.036
local terms energy: -64.717866
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -8.919
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: 7, replica: 2
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -133.585990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.585990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.585990 (E_RNA)
where:
Base-Base interactions energy: -80.692
where: short stacking energy: -41.966
Base-Backbone interact. energy: -0.135
local terms energy: -52.758630
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -11.956
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -5.250
tors. eta vs tors. theta energy: -4.533
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: 7
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -152.509391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.509391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.564911 (E_RNA)
where:
Base-Base interactions energy: -94.836
where: short stacking energy: -47.540
Base-Backbone interact. energy: -0.872
local terms energy: -56.857418
where:
bonds (distance) C4'-P energy: -11.832
bonds (distance) P-C4' energy: -10.523
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -9.660
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -141.671473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.671473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.984274 (E_RNA)
where:
Base-Base interactions energy: -76.303
where: short stacking energy: -36.349
Base-Backbone interact. energy: -0.251
local terms energy: -65.430552
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -7.375
Dist. restrs. and SS energy: 0.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -131.948185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.948185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.960366 (E_RNA)
where:
Base-Base interactions energy: -69.739
where: short stacking energy: -38.230
Base-Backbone interact. energy: -0.006
local terms energy: -62.215584
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -10.347
Dist. restrs. and SS energy: 0.012 (S_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: 312
Temperature: 0.900000
Total energy: -178.230986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.230986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.457753 (E_RNA)
where:
Base-Base interactions energy: -107.510
where: short stacking energy: -61.738
Base-Backbone interact. energy: -0.458
local terms energy: -70.490442
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -17.750
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -196.748540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.748540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.125449 (E_RNA)
where:
Base-Base interactions energy: -117.676
where: short stacking energy: -69.393
Base-Backbone interact. energy: -0.184
local terms energy: -79.265297
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -17.692
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -21.351
Dist. restrs. and SS energy: 0.377 (S_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: 312
Temperature: 1.000000
Total energy: -181.200682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.200682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.407122 (E_RNA)
where:
Base-Base interactions energy: -117.046
where: short stacking energy: -62.250
Base-Backbone interact. energy: -0.101
local terms energy: -64.260228
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -10.092
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -14.533
Dist. restrs. and SS energy: 0.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -173.055706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.055706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.055706 (E_RNA)
where:
Base-Base interactions energy: -109.610
where: short stacking energy: -60.264
Base-Backbone interact. energy: -0.269
local terms energy: -63.176433
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -9.678
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -14.853
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: 8
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -160.070349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.070349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.371264 (E_RNA)
where:
Base-Base interactions energy: -94.570
where: short stacking energy: -61.733
Base-Backbone interact. energy: -0.109
local terms energy: -65.691688
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -9.262
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -13.359
Dist. restrs. and SS energy: 0.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -157.071061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.071061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.071061 (E_RNA)
where:
Base-Base interactions energy: -91.822
where: short stacking energy: -49.109
Base-Backbone interact. energy: -0.086
local terms energy: -65.162659
where:
bonds (distance) C4'-P energy: -10.380
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -10.169
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: 7
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -139.429294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.429294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.735878 (E_RNA)
where:
Base-Base interactions energy: -83.413
where: short stacking energy: -31.559
Base-Backbone interact. energy: -0.667
local terms energy: -55.655865
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -15.521
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -4.619
tors. eta vs tors. theta energy: -6.987
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -125.745449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.745449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.745449 (E_RNA)
where:
Base-Base interactions energy: -70.885
where: short stacking energy: -43.360
Base-Backbone interact. energy: -0.020
local terms energy: -54.841014
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -18.410
flat angles P-C4'-P energy: -0.779
tors. eta vs tors. theta energy: -7.969
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: 9, replica: 6
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -124.307939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.307939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.307939 (E_RNA)
where:
Base-Base interactions energy: -69.971
where: short stacking energy: -45.536
Base-Backbone interact. energy: -0.466
local terms energy: -53.870515
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -15.235
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -6.139
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: 3
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -123.025333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.025333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.178971 (E_RNA)
where:
Base-Base interactions energy: -74.833
where: short stacking energy: -35.567
Base-Backbone interact. energy: -0.188
local terms energy: -48.157375
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -2.936
Dist. restrs. and SS energy: 0.154 (S_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: 313
Temperature: 0.900000
Total energy: -189.335228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.335228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.636837 (E_RNA)
where:
Base-Base interactions energy: -119.740
where: short stacking energy: -67.981
Base-Backbone interact. energy: -0.137
local terms energy: -69.758987
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -14.980
Dist. restrs. and SS energy: 0.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -184.089863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.089863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.089863 (E_RNA)
where:
Base-Base interactions energy: -108.214
where: short stacking energy: -59.349
Base-Backbone interact. energy: -0.168
local terms energy: -75.708088
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -19.050
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -182.761687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.761687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.814303 (E_RNA)
where:
Base-Base interactions energy: -110.072
where: short stacking energy: -58.945
Base-Backbone interact. energy: -0.995
local terms energy: -71.747040
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -14.109
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -157.110129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.110129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.110129 (E_RNA)
where:
Base-Base interactions energy: -86.899
where: short stacking energy: -54.825
Base-Backbone interact. energy: 0.423
local terms energy: -70.634902
where:
bonds (distance) C4'-P energy: -14.432
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -17.899
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -12.799
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: 5, replica: 9
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -170.108511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.108511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.609732 (E_RNA)
where:
Base-Base interactions energy: -104.411
where: short stacking energy: -55.688
Base-Backbone interact. energy: -0.148
local terms energy: -66.050660
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -15.154
Dist. restrs. and SS energy: 0.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -154.086463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.086463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.086463 (E_RNA)
where:
Base-Base interactions energy: -89.509
where: short stacking energy: -47.297
Base-Backbone interact. energy: -0.091
local terms energy: -64.486343
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -6.565
tors. eta vs tors. theta energy: -13.475
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: 7, replica: 7
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -144.635811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.635811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.229733 (E_RNA)
where:
Base-Base interactions energy: -82.890
where: short stacking energy: -30.502
Base-Backbone interact. energy: -0.525
local terms energy: -61.813799
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -11.294
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -9.099
Dist. restrs. and SS energy: 0.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -134.651595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.651595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.741321 (E_RNA)
where:
Base-Base interactions energy: -71.729
where: short stacking energy: -38.646
Base-Backbone interact. energy: 0.128
local terms energy: -63.139602
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -11.823
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. 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: -134.919508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.919508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.920041 (E_RNA)
where:
Base-Base interactions energy: -79.504
where: short stacking energy: -46.344
Base-Backbone interact. energy: -0.201
local terms energy: -55.215195
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -12.217
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -6.319
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -124.874915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.874915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.874915 (E_RNA)
where:
Base-Base interactions energy: -72.002
where: short stacking energy: -38.448
Base-Backbone interact. energy: -0.069
local terms energy: -52.803919
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -0.438
tors. eta vs tors. theta energy: -8.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -183.028524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.028524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.045921 (E_RNA)
where:
Base-Base interactions energy: -103.016
where: short stacking energy: -60.247
Base-Backbone interact. energy: -0.043
local terms energy: -79.987781
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -17.875
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. 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: -185.635570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.635570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.878780 (E_RNA)
where:
Base-Base interactions energy: -114.122
where: short stacking energy: -72.820
Base-Backbone interact. energy: -0.001
local terms energy: -71.755556
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -13.826
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -16.782
Dist. restrs. and SS energy: 0.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -168.199372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.199372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.199372 (E_RNA)
where:
Base-Base interactions energy: -103.616
where: short stacking energy: -55.589
Base-Backbone interact. energy: -0.068
local terms energy: -64.514817
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -6.386
tors. eta vs tors. theta energy: -15.967
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -192.819777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.819777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.819777 (E_RNA)
where:
Base-Base interactions energy: -120.323
where: short stacking energy: -59.020
Base-Backbone interact. energy: -0.147
local terms energy: -72.349714
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -15.150
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: 1
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -173.092861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.092861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.121977 (E_RNA)
where:
Base-Base interactions energy: -103.515
where: short stacking energy: -53.942
Base-Backbone interact. energy: -0.335
local terms energy: -69.272649
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -13.981
tors. eta vs tors. theta energy: -10.000
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. 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: -152.981815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.981815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.238083 (E_RNA)
where:
Base-Base interactions energy: -87.336
where: short stacking energy: -34.221
Base-Backbone interact. energy: -0.054
local terms energy: -65.847993
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -7.192
Dist. restrs. and SS energy: 0.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -148.111530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.111530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.444165 (E_RNA)
where:
Base-Base interactions energy: -85.268
where: short stacking energy: -42.816
Base-Backbone interact. energy: -0.195
local terms energy: -62.981234
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: -8.642
Dist. restrs. and SS energy: 0.333 (S_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: 314
Temperature: 1.250000
Total energy: -136.946480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.946480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.946480 (E_RNA)
where:
Base-Base interactions energy: -78.846
where: short stacking energy: -41.223
Base-Backbone interact. energy: -0.397
local terms energy: -57.702715
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -12.101
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -4.568
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -117.702125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.702125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.713591 (E_RNA)
where:
Base-Base interactions energy: -62.282
where: short stacking energy: -37.316
Base-Backbone interact. energy: -0.582
local terms energy: -54.849862
where:
bonds (distance) C4'-P energy: -16.324
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -17.224
flat angles P-C4'-P energy: -5.655
tors. eta vs tors. theta energy: -3.673
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -119.155497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.155497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.216895 (E_RNA)
where:
Base-Base interactions energy: -66.206
where: short stacking energy: -36.399
Base-Backbone interact. energy: 0.171
local terms energy: -53.181838
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -8.078
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -8.389
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -199.188061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.188061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.214206 (E_RNA)
where:
Base-Base interactions energy: -115.999
where: short stacking energy: -72.057
Base-Backbone interact. energy: -0.018
local terms energy: -83.197565
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -18.560
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -20.152
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -175.436302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.436302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.852622 (E_RNA)
where:
Base-Base interactions energy: -111.798
where: short stacking energy: -57.221
Base-Backbone interact. energy: -0.195
local terms energy: -63.859852
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -10.752
Dist. restrs. and SS energy: 0.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -188.796780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.796780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.830435 (E_RNA)
where:
Base-Base interactions energy: -120.945
where: short stacking energy: -73.005
Base-Backbone interact. energy: -0.070
local terms energy: -67.815780
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -11.400
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -16.724
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -176.264665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.264665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.439998 (E_RNA)
where:
Base-Base interactions energy: -105.385
where: short stacking energy: -56.236
Base-Backbone interact. energy: -0.018
local terms energy: -71.037016
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -15.677
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -171.596349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.596349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.666378 (E_RNA)
where:
Base-Base interactions energy: -104.420
where: short stacking energy: -66.171
Base-Backbone interact. energy: 0.042
local terms energy: -67.287491
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -17.153
flat angles P-C4'-P energy: -6.667
tors. eta vs tors. theta energy: -17.517
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. 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: -151.206890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.206890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.877750 (E_RNA)
where:
Base-Base interactions energy: -88.549
where: short stacking energy: -46.576
Base-Backbone interact. energy: -0.581
local terms energy: -62.747536
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -13.933
Dist. restrs. and SS energy: 0.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -159.123821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.123821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.371007 (E_RNA)
where:
Base-Base interactions energy: -96.759
where: short stacking energy: -48.283
Base-Backbone interact. energy: -0.126
local terms energy: -62.486040
where:
bonds (distance) C4'-P energy: -11.107
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -12.556
Dist. restrs. and SS energy: 0.247 (S_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: 315
Temperature: 1.250000
Total energy: -117.557383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.557383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.557383 (E_RNA)
where:
Base-Base interactions energy: -57.593
where: short stacking energy: -32.000
Base-Backbone interact. energy: -0.393
local terms energy: -59.570920
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -18.980
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -1.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -127.074568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.074568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.318755 (E_RNA)
where:
Base-Base interactions energy: -73.338
where: short stacking energy: -40.799
Base-Backbone interact. energy: 1.752
local terms energy: -55.732696
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -6.425
tors. eta vs tors. theta energy: -9.422
Dist. restrs. and SS energy: 0.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -136.431168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.431168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.751776 (E_RNA)
where:
Base-Base interactions energy: -83.059
where: short stacking energy: -39.653
Base-Backbone interact. energy: -0.238
local terms energy: -53.454502
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -6.314
Dist. restrs. and SS energy: 0.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -194.460045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.460045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.725637 (E_RNA)
where:
Base-Base interactions energy: -114.640
where: short stacking energy: -63.766
Base-Backbone interact. energy: -0.113
local terms energy: -79.972713
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -18.728
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -21.817
Dist. restrs. and SS energy: 0.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -184.696160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.696160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.704560 (E_RNA)
where:
Base-Base interactions energy: -112.816
where: short stacking energy: -69.672
Base-Backbone interact. energy: -0.083
local terms energy: -71.805477
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -13.282
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -164.890577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.890577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.931807 (E_RNA)
where:
Base-Base interactions energy: -97.997
where: short stacking energy: -51.585
Base-Backbone interact. energy: -0.181
local terms energy: -66.753883
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -15.651
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -177.049678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.049678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.087072 (E_RNA)
where:
Base-Base interactions energy: -106.637
where: short stacking energy: -54.078
Base-Backbone interact. energy: -0.007
local terms energy: -70.443263
where:
bonds (distance) C4'-P energy: -16.540
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -16.653
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -165.646213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.646213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.835713 (E_RNA)
where:
Base-Base interactions energy: -94.403
where: short stacking energy: -48.567
Base-Backbone interact. energy: -0.161
local terms energy: -71.272112
where:
bonds (distance) C4'-P energy: -18.179
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -13.105
Dist. restrs. and SS energy: 0.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -147.840279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.840279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.840279 (E_RNA)
where:
Base-Base interactions energy: -92.549
where: short stacking energy: -48.293
Base-Backbone interact. energy: -0.024
local terms energy: -55.267327
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -10.829
flat angles C4'-P-C4' energy: -17.625
flat angles P-C4'-P energy: -5.039
tors. eta vs tors. theta energy: -10.694
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: 3
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -137.038423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.038423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.062985 (E_RNA)
where:
Base-Base interactions energy: -77.913
where: short stacking energy: -44.556
Base-Backbone interact. energy: -0.553
local terms energy: -58.596387
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -12.063
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -7.268
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -118.817806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.817806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.817806 (E_RNA)
where:
Base-Base interactions energy: -62.324
where: short stacking energy: -33.118
Base-Backbone interact. energy: -0.689
local terms energy: -55.804560
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -7.491
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -4.578
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -135.440566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.440566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.440566 (E_RNA)
where:
Base-Base interactions energy: -82.422
where: short stacking energy: -43.925
Base-Backbone interact. energy: 0.034
local terms energy: -53.052280
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -5.755
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: 10, replica: 7
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -107.756105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.756105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.783656 (E_RNA)
where:
Base-Base interactions energy: -62.230
where: short stacking energy: -31.341
Base-Backbone interact. energy: -0.070
local terms energy: -45.483438
where:
bonds (distance) C4'-P energy: -9.824
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: -3.256
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -209.749099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.749099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.012074 (E_RNA)
where:
Base-Base interactions energy: -127.962
where: short stacking energy: -67.648
Base-Backbone interact. energy: -0.045
local terms energy: -82.004994
where:
bonds (distance) C4'-P energy: -18.725
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -17.581
Dist. restrs. and SS energy: 0.263 (S_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: 317
Temperature: 0.950000
Total energy: -184.280556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.280556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.621886 (E_RNA)
where:
Base-Base interactions energy: -109.363
where: short stacking energy: -58.682
Base-Backbone interact. energy: 0.517
local terms energy: -75.776767
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -16.439
Dist. restrs. and SS energy: 0.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -186.840052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.840052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.840052 (E_RNA)
where:
Base-Base interactions energy: -115.061
where: short stacking energy: -63.069
Base-Backbone interact. energy: 0.391
local terms energy: -72.170096
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -16.211
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -172.316137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.316137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.316137 (E_RNA)
where:
Base-Base interactions energy: -96.960
where: short stacking energy: -60.602
Base-Backbone interact. energy: -0.084
local terms energy: -75.272289
where:
bonds (distance) C4'-P energy: -17.053
bonds (distance) P-C4' energy: -17.067
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -16.454
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -153.185213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.185213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.193694 (E_RNA)
where:
Base-Base interactions energy: -92.606
where: short stacking energy: -54.021
Base-Backbone interact. energy: -0.001
local terms energy: -60.586628
where:
bonds (distance) C4'-P energy: -10.487
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -8.316
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -14.378
Dist. restrs. and SS energy: 0.008 (S_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: 317
Temperature: 1.150000
Total energy: -135.233467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.233467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.233467 (E_RNA)
where:
Base-Base interactions energy: -66.470
where: short stacking energy: -38.541
Base-Backbone interact. energy: -0.138
local terms energy: -68.625189
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -11.188
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: 4
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -153.452576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.452576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.589545 (E_RNA)
where:
Base-Base interactions energy: -94.677
where: short stacking energy: -46.923
Base-Backbone interact. energy: -0.356
local terms energy: -58.556996
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -5.007
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -10.691
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -128.679062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.679062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.766763 (E_RNA)
where:
Base-Base interactions energy: -85.010
where: short stacking energy: -44.067
Base-Backbone interact. energy: 1.142
local terms energy: -44.899347
where:
bonds (distance) C4'-P energy: -8.760
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -5.289
tors. eta vs tors. theta energy: -1.867
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. 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: -137.568940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.568940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.568940 (E_RNA)
where:
Base-Base interactions energy: -75.981
where: short stacking energy: -36.321
Base-Backbone interact. energy: -0.170
local terms energy: -61.418468
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -17.979
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -6.611
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: 10, replica: 7
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -123.425476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.425476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.432860 (E_RNA)
where:
Base-Base interactions energy: -61.748
where: short stacking energy: -40.459
Base-Backbone interact. energy: -0.004
local terms energy: -61.680896
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -10.211
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -10.280
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -194.332813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.332813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.339075 (E_RNA)
where:
Base-Base interactions energy: -108.243
where: short stacking energy: -59.676
Base-Backbone interact. energy: 0.830
local terms energy: -86.926734
where:
bonds (distance) C4'-P energy: -17.873
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -17.974
flat angles P-C4'-P energy: -14.649
tors. eta vs tors. theta energy: -18.622
Dist. restrs. and SS energy: 0.006 (S_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: 318
Temperature: 0.950000
Total energy: -197.109707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.109707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.156263 (E_RNA)
where:
Base-Base interactions energy: -123.482
where: short stacking energy: -75.742
Base-Backbone interact. energy: -0.100
local terms energy: -73.574463
where:
bonds (distance) C4'-P energy: -9.092
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -22.429
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -184.963559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.963559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.963559 (E_RNA)
where:
Base-Base interactions energy: -115.319
where: short stacking energy: -65.103
Base-Backbone interact. energy: -0.002
local terms energy: -69.642013
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -15.827
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -166.627099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.627099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.001846 (E_RNA)
where:
Base-Base interactions energy: -99.173
where: short stacking energy: -49.064
Base-Backbone interact. energy: -0.500
local terms energy: -67.328445
where:
bonds (distance) C4'-P energy: -11.401
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -12.038
Dist. restrs. and SS energy: 0.375 (S_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: 318
Temperature: 1.100000
Total energy: -173.622392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.622392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.622392 (E_RNA)
where:
Base-Base interactions energy: -104.864
where: short stacking energy: -59.523
Base-Backbone interact. energy: 0.501
local terms energy: -69.258675
where:
bonds (distance) C4'-P energy: -10.375
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -16.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -161.244089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.244089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.244089 (E_RNA)
where:
Base-Base interactions energy: -87.154
where: short stacking energy: -51.608
Base-Backbone interact. energy: 1.127
local terms energy: -75.217567
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -17.152
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -13.404
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: 7, replica: 4
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -131.642102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.642102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.642102 (E_RNA)
where:
Base-Base interactions energy: -74.561
where: short stacking energy: -38.200
Base-Backbone interact. energy: -0.115
local terms energy: -56.966220
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -5.951
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -131.563423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.563423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.588478 (E_RNA)
where:
Base-Base interactions energy: -74.061
where: short stacking energy: -44.646
Base-Backbone interact. energy: -0.270
local terms energy: -57.256968
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -7.589
tors. eta vs tors. theta energy: -9.587
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -138.991774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.991774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.755437 (E_RNA)
where:
Base-Base interactions energy: -81.740
where: short stacking energy: -45.147
Base-Backbone interact. energy: -0.268
local terms energy: -57.746995
where:
bonds (distance) C4'-P energy: -8.935
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -10.442
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -10.738
Dist. restrs. and SS energy: 0.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -135.043303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.043303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.046595 (E_RNA)
where:
Base-Base interactions energy: -81.148
where: short stacking energy: -48.503
Base-Backbone interact. energy: -1.012
local terms energy: -52.887363
where:
bonds (distance) C4'-P energy: -12.420
bonds (distance) P-C4' energy: -12.456
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -3.883
tors. eta vs tors. theta energy: -9.967
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -198.061873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.061873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.126214 (E_RNA)
where:
Base-Base interactions energy: -116.257
where: short stacking energy: -62.285
Base-Backbone interact. energy: -0.002
local terms energy: -81.867927
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -21.676
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. 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: -192.096560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.096560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.096560 (E_RNA)
where:
Base-Base interactions energy: -115.849
where: short stacking energy: -63.973
Base-Backbone interact. energy: -0.597
local terms energy: -75.651128
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -16.479
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -16.651
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -190.469808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.469808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.773658 (E_RNA)
where:
Base-Base interactions energy: -122.706
where: short stacking energy: -64.564
Base-Backbone interact. energy: -0.115
local terms energy: -67.952619
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -14.831
Dist. restrs. and SS energy: 0.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -163.720197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.720197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.092897 (E_RNA)
where:
Base-Base interactions energy: -103.518
where: short stacking energy: -63.925
Base-Backbone interact. energy: -0.142
local terms energy: -60.432891
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -6.731
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -15.348
Dist. restrs. and SS energy: 0.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -150.406585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.406585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.846705 (E_RNA)
where:
Base-Base interactions energy: -95.501
where: short stacking energy: -54.597
Base-Backbone interact. energy: -0.117
local terms energy: -55.228191
where:
bonds (distance) C4'-P energy: -9.689
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -9.372
Dist. restrs. and SS energy: 0.440 (S_DIST_RNA)
chem. 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: -150.760843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.760843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.046703 (E_RNA)
where:
Base-Base interactions energy: -89.678
where: short stacking energy: -47.362
Base-Backbone interact. energy: -0.146
local terms energy: -61.222824
where:
bonds (distance) C4'-P energy: -9.919
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -10.140
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -14.533
Dist. restrs. and SS energy: 0.286 (S_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: 319
Temperature: 1.200000
Total energy: -133.672333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.672333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.680078 (E_RNA)
where:
Base-Base interactions energy: -75.334
where: short stacking energy: -42.844
Base-Backbone interact. energy: -0.024
local terms energy: -58.322380
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -6.792
Dist. restrs. and SS energy: 0.008 (S_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: 319
Temperature: 1.250000
Total energy: -128.761317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.761317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.898903 (E_RNA)
where:
Base-Base interactions energy: -68.101
where: short stacking energy: -37.941
Base-Backbone interact. energy: -0.192
local terms energy: -60.605059
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -7.711
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -125.197103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.197103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.316195 (E_RNA)
where:
Base-Base interactions energy: -66.007
where: short stacking energy: -36.208
Base-Backbone interact. energy: -0.120
local terms energy: -59.188603
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -6.696
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -111.681092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.681092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.784188 (E_RNA)
where:
Base-Base interactions energy: -59.264
where: short stacking energy: -28.622
Base-Backbone interact. energy: -0.581
local terms energy: -51.939405
where:
bonds (distance) C4'-P energy: -6.264
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -4.304
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -205.121536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.121536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.121536 (E_RNA)
where:
Base-Base interactions energy: -119.416
where: short stacking energy: -69.219
Base-Backbone interact. energy: -0.738
local terms energy: -84.968085
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -21.068
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -185.141212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.141212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.179397 (E_RNA)
where:
Base-Base interactions energy: -109.225
where: short stacking energy: -66.256
Base-Backbone interact. energy: -0.053
local terms energy: -75.901902
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -18.260
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -16.748
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -160.473545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.473545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.629212 (E_RNA)
where:
Base-Base interactions energy: -95.167
where: short stacking energy: -43.846
Base-Backbone interact. energy: -0.211
local terms energy: -65.251787
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -10.924
Dist. restrs. and SS energy: 0.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -173.768518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.768518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.768518 (E_RNA)
where:
Base-Base interactions energy: -98.645
where: short stacking energy: -64.483
Base-Backbone interact. energy: -0.040
local terms energy: -75.083281
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -18.418
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -20.365
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -153.587308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.587308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.599379 (E_RNA)
where:
Base-Base interactions energy: -85.942
where: short stacking energy: -51.013
Base-Backbone interact. energy: -0.117
local terms energy: -67.540086
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -6.744
tors. eta vs tors. theta energy: -12.841
Dist. restrs. and SS energy: 0.012 (S_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: 320
Temperature: 1.150000
Total energy: -159.957692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.957692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.169577 (E_RNA)
where:
Base-Base interactions energy: -100.383
where: short stacking energy: -50.621
Base-Backbone interact. energy: -0.752
local terms energy: -59.034145
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -10.356
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -9.488
Dist. restrs. and SS energy: 0.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -144.462415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.462415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.996921 (E_RNA)
where:
Base-Base interactions energy: -90.115
where: short stacking energy: -46.402
Base-Backbone interact. energy: -0.111
local terms energy: -54.771556
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -7.116
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -12.564
Dist. restrs. and SS energy: 0.535 (S_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: 320
Temperature: 1.250000
Total energy: -119.544333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.544333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.565668 (E_RNA)
where:
Base-Base interactions energy: -63.160
where: short stacking energy: -35.478
Base-Backbone interact. energy: -0.109
local terms energy: -56.296072
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -3.021
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. 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: -137.140987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.140987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.140987 (E_RNA)
where:
Base-Base interactions energy: -83.904
where: short stacking energy: -40.840
Base-Backbone interact. energy: 1.103
local terms energy: -54.340916
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -11.540
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: -10.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -115.989292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.989292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.043633 (E_RNA)
where:
Base-Base interactions energy: -70.678
where: short stacking energy: -31.720
Base-Backbone interact. energy: -0.117
local terms energy: -45.248389
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: 0.037
tors. eta vs tors. theta energy: -1.867
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -191.980620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.980620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.358286 (E_RNA)
where:
Base-Base interactions energy: -121.351
where: short stacking energy: -72.299
Base-Backbone interact. energy: -0.009
local terms energy: -70.998100
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -15.813
flat angles C4'-P-C4' energy: -10.756
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -21.779
Dist. restrs. and SS energy: 0.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -176.593288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.593288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.926312 (E_RNA)
where:
Base-Base interactions energy: -103.172
where: short stacking energy: -56.485
Base-Backbone interact. energy: -0.230
local terms energy: -73.524712
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -14.074
Dist. restrs. and SS energy: 0.333 (S_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: 321
Temperature: 1.000000
Total energy: -175.838014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.838014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.838014 (E_RNA)
where:
Base-Base interactions energy: -108.887
where: short stacking energy: -55.500
Base-Backbone interact. energy: 0.098
local terms energy: -67.049917
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -11.229
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: 321
Temperature: 1.050000
Total energy: -165.588829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.588829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.611342 (E_RNA)
where:
Base-Base interactions energy: -98.784
where: short stacking energy: -48.263
Base-Backbone interact. energy: -0.143
local terms energy: -66.684151
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -15.838
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -159.518259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.518259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.534891 (E_RNA)
where:
Base-Base interactions energy: -91.141
where: short stacking energy: -46.784
Base-Backbone interact. energy: -0.742
local terms energy: -67.652162
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -12.086
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -157.738485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.738485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.738485 (E_RNA)
where:
Base-Base interactions energy: -93.732
where: short stacking energy: -50.188
Base-Backbone interact. energy: -0.515
local terms energy: -63.491438
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -15.192
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -9.750
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -165.688202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.688202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.728263 (E_RNA)
where:
Base-Base interactions energy: -94.139
where: short stacking energy: -53.971
Base-Backbone interact. energy: 0.505
local terms energy: -72.094632
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -17.419
Dist. restrs. and SS energy: 0.040 (S_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: 321
Temperature: 1.250000
Total energy: -148.677563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.677563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.758166 (E_RNA)
where:
Base-Base interactions energy: -86.737
where: short stacking energy: -51.709
Base-Backbone interact. energy: -0.057
local terms energy: -61.964347
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -10.538
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -114.073482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.073482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.073482 (E_RNA)
where:
Base-Base interactions energy: -59.560
where: short stacking energy: -30.442
Base-Backbone interact. energy: -0.205
local terms energy: -54.308355
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -9.816
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -3.037
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: 6
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -113.022000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.022000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.022000 (E_RNA)
where:
Base-Base interactions energy: -62.562
where: short stacking energy: -36.890
Base-Backbone interact. energy: -0.979
local terms energy: -49.480742
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -8.381
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -1.979
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: 1, replica: 5
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -191.935323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.935323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.935323 (E_RNA)
where:
Base-Base interactions energy: -122.141
where: short stacking energy: -63.228
Base-Backbone interact. energy: -0.219
local terms energy: -69.574559
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -14.145
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: 2, replica: 8
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -173.970890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.970890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.345730 (E_RNA)
where:
Base-Base interactions energy: -103.317
where: short stacking energy: -55.215
Base-Backbone interact. energy: -0.193
local terms energy: -70.834894
where:
bonds (distance) C4'-P energy: -9.017
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -16.831
Dist. restrs. and SS energy: 0.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -164.431962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.431962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.431962 (E_RNA)
where:
Base-Base interactions energy: -93.220
where: short stacking energy: -54.273
Base-Backbone interact. energy: -0.044
local terms energy: -71.167485
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -13.212
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -166.552046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.552046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.885332 (E_RNA)
where:
Base-Base interactions energy: -99.232
where: short stacking energy: -47.688
Base-Backbone interact. energy: -0.162
local terms energy: -67.491389
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -11.707
Dist. restrs. and SS energy: 0.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -169.726457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.726457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.726457 (E_RNA)
where:
Base-Base interactions energy: -101.652
where: short stacking energy: -58.110
Base-Backbone interact. energy: -1.381
local terms energy: -66.693826
where:
bonds (distance) C4'-P energy: -6.825
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -16.932
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -142.436632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.436632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.447774 (E_RNA)
where:
Base-Base interactions energy: -82.596
where: short stacking energy: -43.916
Base-Backbone interact. energy: -0.013
local terms energy: -59.838894
where:
bonds (distance) C4'-P energy: -12.142
bonds (distance) P-C4' energy: -17.317
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -5.959
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -142.203720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.203720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.642441 (E_RNA)
where:
Base-Base interactions energy: -87.393
where: short stacking energy: -44.683
Base-Backbone interact. energy: -0.297
local terms energy: -54.951875
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -12.932
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -6.335
Dist. restrs. and SS energy: 0.439 (S_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: 322
Temperature: 1.250000
Total energy: -119.240402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.240402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.240402 (E_RNA)
where:
Base-Base interactions energy: -68.840
where: short stacking energy: -38.079
Base-Backbone interact. energy: -0.269
local terms energy: -50.131353
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -7.585
flat angles P-C4'-P energy: -6.902
tors. eta vs tors. theta energy: -7.060
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: 6
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -127.199850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.199850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.199850 (E_RNA)
where:
Base-Base interactions energy: -67.050
where: short stacking energy: -31.603
Base-Backbone interact. energy: -0.093
local terms energy: -60.056913
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -5.946
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -131.718472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.718472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.748844 (E_RNA)
where:
Base-Base interactions energy: -78.418
where: short stacking energy: -39.945
Base-Backbone interact. energy: -0.161
local terms energy: -53.170079
where:
bonds (distance) C4'-P energy: -9.869
bonds (distance) P-C4' energy: -10.676
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -7.232
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -199.578164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.578164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.823743 (E_RNA)
where:
Base-Base interactions energy: -127.265
where: short stacking energy: -73.409
Base-Backbone interact. energy: -0.013
local terms energy: -72.545587
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -9.981
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -15.226
tors. eta vs tors. theta energy: -17.412
Dist. restrs. and SS energy: 0.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -172.317740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.317740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.357482 (E_RNA)
where:
Base-Base interactions energy: -100.809
where: short stacking energy: -54.204
Base-Backbone interact. energy: -0.478
local terms energy: -71.070497
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: -14.168
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -171.175629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.175629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.235491 (E_RNA)
where:
Base-Base interactions energy: -98.955
where: short stacking energy: -53.516
Base-Backbone interact. energy: -0.118
local terms energy: -72.162301
where:
bonds (distance) C4'-P energy: -17.617
bonds (distance) P-C4' energy: -19.563
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -11.284
Dist. restrs. and SS energy: 0.060 (S_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: 323
Temperature: 1.050000
Total energy: -161.812397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.812397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.833170 (E_RNA)
where:
Base-Base interactions energy: -92.522
where: short stacking energy: -55.823
Base-Backbone interact. energy: -0.829
local terms energy: -68.482730
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -13.704
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -160.759112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.759112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.849012 (E_RNA)
where:
Base-Base interactions energy: -101.085
where: short stacking energy: -54.575
Base-Backbone interact. energy: -0.377
local terms energy: -59.387439
where:
bonds (distance) C4'-P energy: -9.234
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -16.553
Dist. restrs. and SS energy: 0.090 (S_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: 323
Temperature: 1.150000
Total energy: -168.464575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.464575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.980029 (E_RNA)
where:
Base-Base interactions energy: -97.658
where: short stacking energy: -57.523
Base-Backbone interact. energy: -0.016
local terms energy: -71.305603
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -18.643
Dist. restrs. and SS energy: 0.515 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -144.182239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.182239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.182239 (E_RNA)
where:
Base-Base interactions energy: -91.137
where: short stacking energy: -39.499
Base-Backbone interact. energy: -0.232
local terms energy: -52.813704
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: -3.778
tors. eta vs tors. theta energy: -8.804
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -134.215854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.215854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.236935 (E_RNA)
where:
Base-Base interactions energy: -83.106
where: short stacking energy: -43.227
Base-Backbone interact. energy: -0.157
local terms energy: -50.973565
where:
bonds (distance) C4'-P energy: -10.772
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -6.429
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -9.529
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -121.520136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.520136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.894774 (E_RNA)
where:
Base-Base interactions energy: -60.368
where: short stacking energy: -28.900
Base-Backbone interact. energy: -0.245
local terms energy: -61.281589
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -7.457
tors. eta vs tors. theta energy: -9.360
Dist. restrs. and SS energy: 0.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -138.874565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.874565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.940127 (E_RNA)
where:
Base-Base interactions energy: -90.280
where: short stacking energy: -49.724
Base-Backbone interact. energy: -0.177
local terms energy: -48.483141
where:
bonds (distance) C4'-P energy: -6.201
bonds (distance) P-C4' energy: -12.071
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -5.152
tors. eta vs tors. theta energy: -12.087
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -197.126201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.126201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.362315 (E_RNA)
where:
Base-Base interactions energy: -119.588
where: short stacking energy: -66.611
Base-Backbone interact. energy: -0.028
local terms energy: -77.745787
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -14.837
tors. eta vs tors. theta energy: -18.024
Dist. restrs. and SS energy: 0.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -179.852315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.852315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.187698 (E_RNA)
where:
Base-Base interactions energy: -110.562
where: short stacking energy: -61.233
Base-Backbone interact. energy: -0.072
local terms energy: -69.554550
where:
bonds (distance) C4'-P energy: -17.368
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -13.226
Dist. restrs. and SS energy: 0.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -175.845359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.845359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.858755 (E_RNA)
where:
Base-Base interactions energy: -113.896
where: short stacking energy: -60.544
Base-Backbone interact. energy: 1.010
local terms energy: -62.972596
where:
bonds (distance) C4'-P energy: -9.474
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: -14.667
Dist. restrs. and SS energy: 0.013 (S_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: 324
Temperature: 1.050000
Total energy: -184.425895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.425895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.566648 (E_RNA)
where:
Base-Base interactions energy: -114.204
where: short stacking energy: -66.433
Base-Backbone interact. energy: -0.186
local terms energy: -70.176674
where:
bonds (distance) C4'-P energy: -18.895
bonds (distance) P-C4' energy: -11.030
flat angles C4'-P-C4' energy: -10.866
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -19.941
Dist. restrs. and SS energy: 0.141 (S_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: 324
Temperature: 1.100000
Total energy: -171.395701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.395701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.395701 (E_RNA)
where:
Base-Base interactions energy: -101.986
where: short stacking energy: -61.111
Base-Backbone interact. energy: -0.290
local terms energy: -69.119541
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -10.546
flat angles C4'-P-C4' energy: -18.182
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: -12.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -154.927828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.927828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.970566 (E_RNA)
where:
Base-Base interactions energy: -93.554
where: short stacking energy: -57.788
Base-Backbone interact. energy: 1.190
local terms energy: -62.605878
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -7.193
tors. eta vs tors. theta energy: -12.547
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -140.906064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.906064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.912614 (E_RNA)
where:
Base-Base interactions energy: -83.248
where: short stacking energy: -49.828
Base-Backbone interact. energy: -0.183
local terms energy: -57.481819
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -11.012
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -9.938
Dist. restrs. and SS energy: 0.007 (S_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: 324
Temperature: 1.250000
Total energy: -144.465837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.465837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.799539 (E_RNA)
where:
Base-Base interactions energy: -82.620
where: short stacking energy: -35.289
Base-Backbone interact. energy: -0.057
local terms energy: -62.123385
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -6.788
Dist. restrs. and SS energy: 0.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -120.362335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.362335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.431216 (E_RNA)
where:
Base-Base interactions energy: -76.249
where: short stacking energy: -36.377
Base-Backbone interact. energy: 0.923
local terms energy: -45.105510
where:
bonds (distance) C4'-P energy: -8.692
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -5.760
tors. eta vs tors. theta energy: -5.422
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -114.640459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.640459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.657741 (E_RNA)
where:
Base-Base interactions energy: -71.003
where: short stacking energy: -32.257
Base-Backbone interact. energy: 0.014
local terms energy: -43.669441
where:
bonds (distance) C4'-P energy: -10.739
bonds (distance) P-C4' energy: -11.408
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -1.866
tors. eta vs tors. theta energy: -4.006
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -202.338296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.338296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.338296 (E_RNA)
where:
Base-Base interactions energy: -116.811
where: short stacking energy: -75.389
Base-Backbone interact. energy: -0.000
local terms energy: -85.526429
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -14.943
tors. eta vs tors. theta energy: -22.554
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: 1
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -190.061902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.061902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.531402 (E_RNA)
where:
Base-Base interactions energy: -113.409
where: short stacking energy: -67.059
Base-Backbone interact. energy: -0.035
local terms energy: -77.087270
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -20.958
Dist. restrs. and SS energy: 0.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -180.158508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.158508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.305783 (E_RNA)
where:
Base-Base interactions energy: -111.276
where: short stacking energy: -68.429
Base-Backbone interact. energy: -0.002
local terms energy: -69.027914
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -18.336
Dist. restrs. and SS energy: 0.147 (S_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: 325
Temperature: 1.050000
Total energy: -179.600648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.600648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.716815 (E_RNA)
where:
Base-Base interactions energy: -116.931
where: short stacking energy: -60.639
Base-Backbone interact. energy: -0.026
local terms energy: -62.759241
where:
bonds (distance) C4'-P energy: -8.644
bonds (distance) P-C4' energy: -9.164
flat angles C4'-P-C4' energy: -17.916
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -15.527
Dist. restrs. and SS energy: 0.116 (S_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: 325
Temperature: 1.100000
Total energy: -164.523244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.523244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.523244 (E_RNA)
where:
Base-Base interactions energy: -96.475
where: short stacking energy: -60.194
Base-Backbone interact. energy: -0.247
local terms energy: -67.801022
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -8.035
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -17.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -162.836285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.836285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.876903 (E_RNA)
where:
Base-Base interactions energy: -102.367
where: short stacking energy: -57.724
Base-Backbone interact. energy: -0.014
local terms energy: -60.495682
where:
bonds (distance) C4'-P energy: -11.427
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -6.516
tors. eta vs tors. theta energy: -18.415
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -151.414581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.414581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.464319 (E_RNA)
where:
Base-Base interactions energy: -90.378
where: short stacking energy: -52.630
Base-Backbone interact. energy: -0.066
local terms energy: -61.020468
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -17.318
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -7.329
Dist. restrs. and SS energy: 0.050 (S_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: 325
Temperature: 1.250000
Total energy: -140.529809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.529809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.085690 (E_RNA)
where:
Base-Base interactions energy: -82.564
where: short stacking energy: -44.928
Base-Backbone interact. energy: -0.016
local terms energy: -58.506537
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -5.466
Dist. restrs. and SS energy: 0.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -142.805668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.805668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.805668 (E_RNA)
where:
Base-Base interactions energy: -81.311
where: short stacking energy: -37.894
Base-Backbone interact. energy: -0.249
local terms energy: -61.245453
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -10.217
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -104.158690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.158690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.158690 (E_RNA)
where:
Base-Base interactions energy: -60.152
where: short stacking energy: -31.525
Base-Backbone interact. energy: -0.393
local terms energy: -43.614099
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -8.696
flat angles P-C4'-P energy: -4.797
tors. eta vs tors. theta energy: -0.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -193.769255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.769255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.772676 (E_RNA)
where:
Base-Base interactions energy: -116.489
where: short stacking energy: -67.970
Base-Backbone interact. energy: -0.035
local terms energy: -77.248664
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -18.262
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -18.515
Dist. restrs. and SS energy: 0.003 (S_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: 326
Temperature: 0.950000
Total energy: -186.861672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.861672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.446059 (E_RNA)
where:
Base-Base interactions energy: -111.830
where: short stacking energy: -62.605
Base-Backbone interact. energy: -0.011
local terms energy: -75.605178
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -19.299
Dist. restrs. and SS energy: 0.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -197.003726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.003726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.008329 (E_RNA)
where:
Base-Base interactions energy: -114.267
where: short stacking energy: -64.037
Base-Backbone interact. energy: -1.283
local terms energy: -81.458629
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -18.060
flat angles C4'-P-C4' energy: -18.573
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -21.966
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -172.353060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.353060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.545066 (E_RNA)
where:
Base-Base interactions energy: -103.011
where: short stacking energy: -59.464
Base-Backbone interact. energy: -0.170
local terms energy: -69.363811
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -14.917
tors. eta vs tors. theta energy: -13.590
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -150.601686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.601686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.068239 (E_RNA)
where:
Base-Base interactions energy: -84.845
where: short stacking energy: -45.231
Base-Backbone interact. energy: -0.146
local terms energy: -66.077202
where:
bonds (distance) C4'-P energy: -17.533
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -11.133
Dist. restrs. and SS energy: 0.467 (S_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: 326
Temperature: 1.150000
Total energy: -157.750570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.750570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.750570 (E_RNA)
where:
Base-Base interactions energy: -92.682
where: short stacking energy: -54.909
Base-Backbone interact. energy: -0.072
local terms energy: -64.997027
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -16.592
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -5.816
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: 7
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -137.719005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.719005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.735949 (E_RNA)
where:
Base-Base interactions energy: -84.880
where: short stacking energy: -42.203
Base-Backbone interact. energy: 2.297
local terms energy: -55.151989
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -8.938
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -7.811
Dist. restrs. and SS energy: 0.017 (S_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: 326
Temperature: 1.250000
Total energy: -147.754669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.754669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.781093 (E_RNA)
where:
Base-Base interactions energy: -84.907
where: short stacking energy: -43.876
Base-Backbone interact. energy: -0.060
local terms energy: -62.813582
where:
bonds (distance) C4'-P energy: -8.232
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -14.689
tors. eta vs tors. theta energy: -7.559
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -132.201686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.201686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.356777 (E_RNA)
where:
Base-Base interactions energy: -77.204
where: short stacking energy: -30.104
Base-Backbone interact. energy: -0.229
local terms energy: -54.923922
where:
bonds (distance) C4'-P energy: -16.560
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -7.775
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -4.718
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -140.024745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.024745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.268606 (E_RNA)
where:
Base-Base interactions energy: -87.567
where: short stacking energy: -44.906
Base-Backbone interact. energy: 1.509
local terms energy: -54.210388
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -6.605
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -6.783
Dist. restrs. and SS energy: 0.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -192.610477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.610477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.610477 (E_RNA)
where:
Base-Base interactions energy: -109.860
where: short stacking energy: -69.702
Base-Backbone interact. energy: -0.111
local terms energy: -82.638795
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -18.581
flat angles P-C4'-P energy: -14.227
tors. eta vs tors. theta energy: -19.094
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: 1
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -198.130245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.130245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.130245 (E_RNA)
where:
Base-Base interactions energy: -118.483
where: short stacking energy: -70.892
Base-Backbone interact. energy: -0.082
local terms energy: -79.564906
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -18.664
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -17.414
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: 4
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -195.339647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.339647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.341102 (E_RNA)
where:
Base-Base interactions energy: -121.510
where: short stacking energy: -62.171
Base-Backbone interact. energy: -0.107
local terms energy: -73.724112
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -14.178
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -164.323664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.323664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.379877 (E_RNA)
where:
Base-Base interactions energy: -97.327
where: short stacking energy: -59.109
Base-Backbone interact. energy: -0.402
local terms energy: -66.650950
where:
bonds (distance) C4'-P energy: -14.904
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -11.126
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -173.587447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.587447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.648314 (E_RNA)
where:
Base-Base interactions energy: -101.196
where: short stacking energy: -53.840
Base-Backbone interact. energy: 0.599
local terms energy: -73.051691
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -15.635
Dist. restrs. and SS energy: 0.061 (S_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: 327
Temperature: 1.150000
Total energy: -132.453604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.453604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.712774 (E_RNA)
where:
Base-Base interactions energy: -68.198
where: short stacking energy: -37.841
Base-Backbone interact. energy: -0.119
local terms energy: -64.396127
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -12.330
Dist. restrs. and SS energy: 0.259 (S_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: 327
Temperature: 1.200000
Total energy: -138.421375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.421375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.519648 (E_RNA)
where:
Base-Base interactions energy: -73.618
where: short stacking energy: -36.127
Base-Backbone interact. energy: -0.020
local terms energy: -64.881296
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -8.367
Dist. restrs. and SS energy: 0.098 (S_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: 327
Temperature: 1.250000
Total energy: -143.993098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.993098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.017856 (E_RNA)
where:
Base-Base interactions energy: -82.636
where: short stacking energy: -47.684
Base-Backbone interact. energy: 0.370
local terms energy: -61.752502
where:
bonds (distance) C4'-P energy: -10.417
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -10.124
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -12.258
Dist. restrs. and SS energy: 0.025 (S_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: 327
Temperature: 1.300000
Total energy: -132.623820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.623820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.623820 (E_RNA)
where:
Base-Base interactions energy: -78.944
where: short stacking energy: -38.323
Base-Backbone interact. energy: 0.722
local terms energy: -54.402085
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -12.886
flat angles C4'-P-C4' energy: -11.738
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -5.687
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -133.880030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.880030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.966408 (E_RNA)
where:
Base-Base interactions energy: -83.875
where: short stacking energy: -42.984
Base-Backbone interact. energy: 0.363
local terms energy: -50.454143
where:
bonds (distance) C4'-P energy: -9.514
bonds (distance) P-C4' energy: -8.443
flat angles C4'-P-C4' energy: -11.411
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -11.989
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -203.836901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.836901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.836901 (E_RNA)
where:
Base-Base interactions energy: -124.827
where: short stacking energy: -80.434
Base-Backbone interact. energy: -0.005
local terms energy: -79.004165
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -20.217
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -181.504128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.504128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.504128 (E_RNA)
where:
Base-Base interactions energy: -108.301
where: short stacking energy: -61.065
Base-Backbone interact. energy: -0.056
local terms energy: -73.147000
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -15.197
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: 4
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -186.176825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.176825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.222076 (E_RNA)
where:
Base-Base interactions energy: -108.479
where: short stacking energy: -64.233
Base-Backbone interact. energy: -0.005
local terms energy: -77.738896
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -17.897
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -160.123206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.123206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.579495 (E_RNA)
where:
Base-Base interactions energy: -96.305
where: short stacking energy: -50.383
Base-Backbone interact. energy: -0.283
local terms energy: -63.991954
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -10.266
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -12.849
Dist. restrs. and SS energy: 0.456 (S_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: 328
Temperature: 1.100000
Total energy: -153.657157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.657157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.657157 (E_RNA)
where:
Base-Base interactions energy: -86.342
where: short stacking energy: -49.459
Base-Backbone interact. energy: -0.449
local terms energy: -66.866895
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -10.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -145.245958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.245958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.327815 (E_RNA)
where:
Base-Base interactions energy: -83.720
where: short stacking energy: -43.732
Base-Backbone interact. energy: -0.056
local terms energy: -61.551134
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -4.941
tors. eta vs tors. theta energy: -11.444
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -159.228016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.228016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.228016 (E_RNA)
where:
Base-Base interactions energy: -99.254
where: short stacking energy: -46.637
Base-Backbone interact. energy: -0.167
local terms energy: -59.806163
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -10.678
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -11.586
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: 7
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -122.889223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.889223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.895586 (E_RNA)
where:
Base-Base interactions energy: -68.855
where: short stacking energy: -39.901
Base-Backbone interact. energy: -0.143
local terms energy: -53.897542
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -11.861
flat angles P-C4'-P energy: -6.497
tors. eta vs tors. theta energy: -6.740
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -143.165919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.165919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.549748 (E_RNA)
where:
Base-Base interactions energy: -87.365
where: short stacking energy: -44.162
Base-Backbone interact. energy: -0.111
local terms energy: -56.073645
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -11.254
flat angles C4'-P-C4' energy: -12.473
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -8.622
Dist. restrs. and SS energy: 0.384 (S_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: 328
Temperature: 1.350000
Total energy: -131.986855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.986855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.016462 (E_RNA)
where:
Base-Base interactions energy: -69.056
where: short stacking energy: -30.048
Base-Backbone interact. energy: -0.493
local terms energy: -62.467833
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -8.339
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -200.011469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.011469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.069320 (E_RNA)
where:
Base-Base interactions energy: -120.540
where: short stacking energy: -70.269
Base-Backbone interact. energy: -0.249
local terms energy: -79.280274
where:
bonds (distance) C4'-P energy: -16.684
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -20.830
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -181.700017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.700017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.705738 (E_RNA)
where:
Base-Base interactions energy: -111.360
where: short stacking energy: -64.420
Base-Backbone interact. energy: -0.120
local terms energy: -70.225446
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -5.464
tors. eta vs tors. theta energy: -16.302
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -181.297174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.297174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.381178 (E_RNA)
where:
Base-Base interactions energy: -111.552
where: short stacking energy: -66.447
Base-Backbone interact. energy: -0.127
local terms energy: -69.702515
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -10.033
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -16.681
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -161.692742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.692742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.736653 (E_RNA)
where:
Base-Base interactions energy: -92.755
where: short stacking energy: -50.682
Base-Backbone interact. energy: -2.039
local terms energy: -66.942241
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -14.059
Dist. restrs. and SS energy: 0.044 (S_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: 329
Temperature: 1.100000
Total energy: -160.824510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.824510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.005855 (E_RNA)
where:
Base-Base interactions energy: -97.610
where: short stacking energy: -51.827
Base-Backbone interact. energy: -0.009
local terms energy: -63.386476
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -8.791
Dist. restrs. and SS energy: 0.181 (S_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: 329
Temperature: 1.150000
Total energy: -148.127936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.127936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.366336 (E_RNA)
where:
Base-Base interactions energy: -88.219
where: short stacking energy: -50.509
Base-Backbone interact. energy: -0.061
local terms energy: -60.086424
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -11.983
Dist. restrs. and SS energy: 0.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -143.176054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.176054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.176054 (E_RNA)
where:
Base-Base interactions energy: -79.547
where: short stacking energy: -44.331
Base-Backbone interact. energy: -0.028
local terms energy: -63.601200
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -18.261
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -5.215
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -170.937877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.937877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.059605 (E_RNA)
where:
Base-Base interactions energy: -97.421
where: short stacking energy: -60.354
Base-Backbone interact. energy: -0.425
local terms energy: -73.213946
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -14.109
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -109.505450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.505450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.669887 (E_RNA)
where:
Base-Base interactions energy: -60.704
where: short stacking energy: -30.931
Base-Backbone interact. energy: -0.207
local terms energy: -48.758925
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -8.989
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: 2.075
Dist. restrs. and SS energy: 0.164 (S_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: 329
Temperature: 1.350000
Total energy: -111.260775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.260775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.424928 (E_RNA)
where:
Base-Base interactions energy: -62.086
where: short stacking energy: -33.300
Base-Backbone interact. energy: -0.198
local terms energy: -49.140722
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -5.765
tors. eta vs tors. theta energy: -2.768
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -194.869424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.869424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.933586 (E_RNA)
where:
Base-Base interactions energy: -112.814
where: short stacking energy: -66.447
Base-Backbone interact. energy: -0.192
local terms energy: -81.927582
where:
bonds (distance) C4'-P energy: -16.854
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: -18.122
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -187.653615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.653615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.681030 (E_RNA)
where:
Base-Base interactions energy: -111.468
where: short stacking energy: -59.004
Base-Backbone interact. energy: 0.518
local terms energy: -76.730417
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -19.598
Dist. restrs. and SS energy: 0.027 (S_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: -189.566676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.566676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.868949 (E_RNA)
where:
Base-Base interactions energy: -115.069
where: short stacking energy: -67.356
Base-Backbone interact. energy: 0.208
local terms energy: -75.007669
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -18.867
Dist. restrs. and SS energy: 0.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -176.015280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.015280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.378892 (E_RNA)
where:
Base-Base interactions energy: -100.775
where: short stacking energy: -61.648
Base-Backbone interact. energy: 0.416
local terms energy: -76.019764
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -13.666
Dist. restrs. and SS energy: 0.364 (S_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: 330
Temperature: 1.100000
Total energy: -159.517452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.517452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.568455 (E_RNA)
where:
Base-Base interactions energy: -91.883
where: short stacking energy: -52.985
Base-Backbone interact. energy: -0.690
local terms energy: -66.995312
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -14.189
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -14.005
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -163.764498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.764498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.820034 (E_RNA)
where:
Base-Base interactions energy: -94.858
where: short stacking energy: -50.383
Base-Backbone interact. energy: -0.021
local terms energy: -68.940382
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -17.291
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -12.481
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -143.771192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.771192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.325130 (E_RNA)
where:
Base-Base interactions energy: -77.711
where: short stacking energy: -34.768
Base-Backbone interact. energy: -0.607
local terms energy: -66.006399
where:
bonds (distance) C4'-P energy: -16.871
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: -9.053
Dist. restrs. and SS energy: 0.554 (S_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: 330
Temperature: 1.250000
Total energy: -125.541446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.541446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.593690 (E_RNA)
where:
Base-Base interactions energy: -68.259
where: short stacking energy: -34.490
Base-Backbone interact. energy: -0.088
local terms energy: -57.246233
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -4.578
Dist. restrs. and SS energy: 0.052 (S_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: 330
Temperature: 1.300000
Total energy: -114.151227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.151227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.285890 (E_RNA)
where:
Base-Base interactions energy: -62.290
where: short stacking energy: -33.443
Base-Backbone interact. energy: -0.043
local terms energy: -51.952747
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -6.824
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -7.946
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -100.504650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.504650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.761382 (E_RNA)
where:
Base-Base interactions energy: -56.205
where: short stacking energy: -30.692
Base-Backbone interact. energy: -0.108
local terms energy: -44.448274
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -9.828
flat angles P-C4'-P energy: -4.769
tors. eta vs tors. theta energy: 0.801
Dist. restrs. and SS energy: 0.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -181.190081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.190081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.210926 (E_RNA)
where:
Base-Base interactions energy: -105.498
where: short stacking energy: -56.997
Base-Backbone interact. energy: -0.157
local terms energy: -75.556067
where:
bonds (distance) C4'-P energy: -18.460
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -17.059
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -183.641292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.641292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.687657 (E_RNA)
where:
Base-Base interactions energy: -109.294
where: short stacking energy: -65.133
Base-Backbone interact. energy: -0.018
local terms energy: -74.376000
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -17.159
Dist. restrs. and SS energy: 0.046 (S_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: -193.300293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.300293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.300293 (E_RNA)
where:
Base-Base interactions energy: -112.107
where: short stacking energy: -65.101
Base-Backbone interact. energy: -0.674
local terms energy: -80.518938
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: -19.586
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -163.068894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.068894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.154276 (E_RNA)
where:
Base-Base interactions energy: -100.555
where: short stacking energy: -58.081
Base-Backbone interact. energy: 0.167
local terms energy: -62.766643
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -14.000
Dist. restrs. and SS energy: 0.085 (S_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: 331
Temperature: 1.100000
Total energy: -170.592806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.592806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.837623 (E_RNA)
where:
Base-Base interactions energy: -108.048
where: short stacking energy: -59.059
Base-Backbone interact. energy: -0.552
local terms energy: -62.237095
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -12.680
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -9.271
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -157.849070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.849070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.893131 (E_RNA)
where:
Base-Base interactions energy: -91.115
where: short stacking energy: -51.646
Base-Backbone interact. energy: -0.030
local terms energy: -66.748327
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -11.029
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -131.464764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.464764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.554864 (E_RNA)
where:
Base-Base interactions energy: -70.000
where: short stacking energy: -36.594
Base-Backbone interact. energy: 0.671
local terms energy: -62.225519
where:
bonds (distance) C4'-P energy: -15.633
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -8.798
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -117.495483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.495483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.498521 (E_RNA)
where:
Base-Base interactions energy: -59.105
where: short stacking energy: -34.770
Base-Backbone interact. energy: -0.161
local terms energy: -58.232580
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -5.349
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -121.873434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.873434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.935157 (E_RNA)
where:
Base-Base interactions energy: -66.918
where: short stacking energy: -36.258
Base-Backbone interact. energy: -0.125
local terms energy: -54.891403
where:
bonds (distance) C4'-P energy: -11.265
bonds (distance) P-C4' energy: -12.286
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -6.738
tors. eta vs tors. theta energy: -7.047
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -96.527076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.527076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.964669 (E_RNA)
where:
Base-Base interactions energy: -36.434
where: short stacking energy: -27.940
Base-Backbone interact. energy: -0.268
local terms energy: -60.262330
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -10.294
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -5.570
Dist. restrs. and SS energy: 0.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -183.782094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.782094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.068912 (E_RNA)
where:
Base-Base interactions energy: -110.950
where: short stacking energy: -63.806
Base-Backbone interact. energy: -0.135
local terms energy: -72.983158
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -16.574
Dist. restrs. and SS energy: 0.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -176.017190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.017190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.017190 (E_RNA)
where:
Base-Base interactions energy: -103.389
where: short stacking energy: -66.294
Base-Backbone interact. energy: -0.242
local terms energy: -72.386268
where:
bonds (distance) C4'-P energy: -13.149
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -17.457
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -165.787728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.787728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.808704 (E_RNA)
where:
Base-Base interactions energy: -98.658
where: short stacking energy: -55.134
Base-Backbone interact. energy: -0.117
local terms energy: -67.033789
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -14.273
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -174.970731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.970731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.051718 (E_RNA)
where:
Base-Base interactions energy: -99.702
where: short stacking energy: -50.744
Base-Backbone interact. energy: -0.192
local terms energy: -75.156956
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -19.531
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -15.130
Dist. restrs. and SS energy: 0.081 (S_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: 332
Temperature: 1.100000
Total energy: -156.153492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.153492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.194097 (E_RNA)
where:
Base-Base interactions energy: -86.252
where: short stacking energy: -57.284
Base-Backbone interact. energy: -0.040
local terms energy: -69.902193
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -13.978
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -14.506
tors. eta vs tors. theta energy: -9.697
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -161.358268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.358268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.401502 (E_RNA)
where:
Base-Base interactions energy: -94.583
where: short stacking energy: -48.738
Base-Backbone interact. energy: -0.018
local terms energy: -66.800136
where:
bonds (distance) C4'-P energy: -17.757
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -11.072
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -11.744
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -137.139003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.139003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.197258 (E_RNA)
where:
Base-Base interactions energy: -81.650
where: short stacking energy: -45.678
Base-Backbone interact. energy: -0.283
local terms energy: -55.264059
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -14.401
flat angles C4'-P-C4' energy: -10.812
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -8.206
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -115.029845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.029845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.417503 (E_RNA)
where:
Base-Base interactions energy: -61.962
where: short stacking energy: -30.459
Base-Backbone interact. energy: -0.459
local terms energy: -52.996823
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -11.252
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -2.655
Dist. restrs. and SS energy: 0.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -127.231250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.231250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.361042 (E_RNA)
where:
Base-Base interactions energy: -71.642
where: short stacking energy: -40.109
Base-Backbone interact. energy: 0.374
local terms energy: -56.092603
where:
bonds (distance) C4'-P energy: -10.259
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -10.852
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -9.829
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -134.322394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.322394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.322394 (E_RNA)
where:
Base-Base interactions energy: -79.741
where: short stacking energy: -44.170
Base-Backbone interact. energy: -0.093
local terms energy: -54.487866
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -10.089
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -10.089
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -202.185501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.185501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.185501 (E_RNA)
where:
Base-Base interactions energy: -117.063
where: short stacking energy: -70.730
Base-Backbone interact. energy: -0.024
local terms energy: -85.097826
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -14.101
tors. eta vs tors. theta energy: -17.994
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -189.801094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.801094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.801094 (E_RNA)
where:
Base-Base interactions energy: -114.469
where: short stacking energy: -68.151
Base-Backbone interact. energy: 0.577
local terms energy: -75.909559
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -16.549
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -16.947
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -184.004184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.004184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.004184 (E_RNA)
where:
Base-Base interactions energy: -105.338
where: short stacking energy: -66.706
Base-Backbone interact. energy: -0.070
local terms energy: -78.596846
where:
bonds (distance) C4'-P energy: -15.823
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -13.708
tors. eta vs tors. theta energy: -20.063
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: 6
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -178.157779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.157779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.720221 (E_RNA)
where:
Base-Base interactions energy: -101.354
where: short stacking energy: -62.430
Base-Backbone interact. energy: -0.001
local terms energy: -77.364897
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -15.044
Dist. restrs. and SS energy: 0.562 (S_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: 333
Temperature: 1.100000
Total energy: -164.267839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.267839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.331400 (E_RNA)
where:
Base-Base interactions energy: -98.350
where: short stacking energy: -54.926
Base-Backbone interact. energy: -0.247
local terms energy: -65.734388
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -6.638
tors. eta vs tors. theta energy: -13.448
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -169.053682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.053682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.053682 (E_RNA)
where:
Base-Base interactions energy: -102.191
where: short stacking energy: -60.424
Base-Backbone interact. energy: -0.108
local terms energy: -66.754802
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -14.680
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -147.514293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.514293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.741546 (E_RNA)
where:
Base-Base interactions energy: -91.022
where: short stacking energy: -48.397
Base-Backbone interact. energy: -0.112
local terms energy: -56.607678
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -10.400
Dist. restrs. and SS energy: 0.227 (S_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: 333
Temperature: 1.250000
Total energy: -150.141457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.141457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.182088 (E_RNA)
where:
Base-Base interactions energy: -86.944
where: short stacking energy: -60.573
Base-Backbone interact. energy: 0.341
local terms energy: -63.578369
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -12.259
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -140.072081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.072081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.072081 (E_RNA)
where:
Base-Base interactions energy: -76.069
where: short stacking energy: -39.157
Base-Backbone interact. energy: -0.068
local terms energy: -63.935475
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -7.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -129.142146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.142146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.142146 (E_RNA)
where:
Base-Base interactions energy: -76.057
where: short stacking energy: -44.740
Base-Backbone interact. energy: -0.384
local terms energy: -52.701651
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -6.558
tors. eta vs tors. theta energy: -3.419
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: 4
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -197.336959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.336959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.575632 (E_RNA)
where:
Base-Base interactions energy: -122.198
where: short stacking energy: -64.942
Base-Backbone interact. energy: -0.580
local terms energy: -74.797185
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -14.075
tors. eta vs tors. theta energy: -13.472
Dist. restrs. and SS energy: 0.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -184.853776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.853776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.315965 (E_RNA)
where:
Base-Base interactions energy: -109.661
where: short stacking energy: -67.401
Base-Backbone interact. energy: -0.014
local terms energy: -75.641681
where:
bonds (distance) C4'-P energy: -17.197
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -14.706
Dist. restrs. and SS energy: 0.462 (S_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: -185.426331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.426331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.426331 (E_RNA)
where:
Base-Base interactions energy: -108.570
where: short stacking energy: -55.070
Base-Backbone interact. energy: -0.006
local terms energy: -76.850007
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -17.639
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -17.776
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -168.866590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.866590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.895232 (E_RNA)
where:
Base-Base interactions energy: -98.656
where: short stacking energy: -49.225
Base-Backbone interact. energy: -0.081
local terms energy: -70.158291
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -6.395
tors. eta vs tors. theta energy: -14.964
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -160.658361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.658361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.759948 (E_RNA)
where:
Base-Base interactions energy: -99.105
where: short stacking energy: -53.282
Base-Backbone interact. energy: -0.125
local terms energy: -61.530268
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -11.065
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -9.106
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -134.039794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.039794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.093653 (E_RNA)
where:
Base-Base interactions energy: -81.603
where: short stacking energy: -46.170
Base-Backbone interact. energy: -0.014
local terms energy: -52.476739
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -5.492
tors. eta vs tors. theta energy: -5.279
Dist. restrs. and SS energy: 0.054 (S_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: 334
Temperature: 1.200000
Total energy: -161.944884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.944884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.949114 (E_RNA)
where:
Base-Base interactions energy: -94.824
where: short stacking energy: -53.030
Base-Backbone interact. energy: -0.177
local terms energy: -66.948769
where:
bonds (distance) C4'-P energy: -14.187
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -7.393
tors. eta vs tors. theta energy: -13.633
Dist. restrs. and SS energy: 0.004 (S_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: 334
Temperature: 1.250000
Total energy: -115.782458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.782458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.850030 (E_RNA)
where:
Base-Base interactions energy: -62.659
where: short stacking energy: -34.542
Base-Backbone interact. energy: -0.142
local terms energy: -53.049640
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -10.665
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -2.040
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -142.254745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.254745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.743358 (E_RNA)
where:
Base-Base interactions energy: -92.854
where: short stacking energy: -49.145
Base-Backbone interact. energy: 0.061
local terms energy: -49.950443
where:
bonds (distance) C4'-P energy: -8.328
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -5.721
tors. eta vs tors. theta energy: -9.630
Dist. restrs. and SS energy: 0.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -125.956451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.956451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.956451 (E_RNA)
where:
Base-Base interactions energy: -76.476
where: short stacking energy: -37.136
Base-Backbone interact. energy: -0.161
local terms energy: -49.319250
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -11.537
flat angles C4'-P-C4' energy: -7.394
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -7.085
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -196.634228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.634228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.863472 (E_RNA)
where:
Base-Base interactions energy: -123.812
where: short stacking energy: -62.991
Base-Backbone interact. energy: -0.195
local terms energy: -72.856871
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -17.224
Dist. restrs. and SS energy: 0.229 (S_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: 335
Temperature: 0.950000
Total energy: -197.119009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.119009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.119009 (E_RNA)
where:
Base-Base interactions energy: -117.380
where: short stacking energy: -70.753
Base-Backbone interact. energy: -0.006
local terms energy: -79.732549
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -17.827
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -23.054
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: 5
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -175.457962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.457962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.460618 (E_RNA)
where:
Base-Base interactions energy: -100.032
where: short stacking energy: -59.692
Base-Backbone interact. energy: -0.168
local terms energy: -75.260764
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -17.351
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -164.004419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.004419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.072152 (E_RNA)
where:
Base-Base interactions energy: -100.196
where: short stacking energy: -57.470
Base-Backbone interact. energy: -0.002
local terms energy: -63.874473
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -10.715
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. 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: -161.147734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.147734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.234694 (E_RNA)
where:
Base-Base interactions energy: -95.067
where: short stacking energy: -52.326
Base-Backbone interact. energy: -0.094
local terms energy: -66.074307
where:
bonds (distance) C4'-P energy: -8.715
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -11.627
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -161.066480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.066480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.125519 (E_RNA)
where:
Base-Base interactions energy: -95.133
where: short stacking energy: -49.246
Base-Backbone interact. energy: -0.100
local terms energy: -65.891581
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -6.850
tors. eta vs tors. theta energy: -10.628
Dist. restrs. and SS energy: 0.059 (S_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: 335
Temperature: 1.200000
Total energy: -160.868147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.868147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.220814 (E_RNA)
where:
Base-Base interactions energy: -93.621
where: short stacking energy: -51.238
Base-Backbone interact. energy: -0.025
local terms energy: -67.575096
where:
bonds (distance) C4'-P energy: -17.322
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -10.807
Dist. restrs. and SS energy: 0.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -126.594540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.594540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.595134 (E_RNA)
where:
Base-Base interactions energy: -69.238
where: short stacking energy: -33.207
Base-Backbone interact. energy: -0.438
local terms energy: -56.919769
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -2.241
Dist. restrs. and SS energy: 0.001 (S_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: 335
Temperature: 1.300000
Total energy: -128.156043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.156043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.224624 (E_RNA)
where:
Base-Base interactions energy: -88.394
where: short stacking energy: -46.350
Base-Backbone interact. energy: -0.106
local terms energy: -39.723838
where:
bonds (distance) C4'-P energy: -8.869
bonds (distance) P-C4' energy: -7.039
flat angles C4'-P-C4' energy: -9.852
flat angles P-C4'-P energy: -6.203
tors. eta vs tors. theta energy: -7.761
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -129.252442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.252442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.277364 (E_RNA)
where:
Base-Base interactions energy: -80.899
where: short stacking energy: -34.253
Base-Backbone interact. energy: -0.038
local terms energy: -48.339839
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -14.323
flat angles C4'-P-C4' energy: -6.854
flat angles P-C4'-P energy: -6.330
tors. eta vs tors. theta energy: -6.428
Dist. restrs. and SS energy: 0.025 (S_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: 336
Temperature: 0.900000
Total energy: -197.177965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.177965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.445243 (E_RNA)
where:
Base-Base interactions energy: -113.530
where: short stacking energy: -69.511
Base-Backbone interact. energy: -0.013
local terms energy: -83.902194
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -18.559
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -20.695
Dist. restrs. and SS energy: 0.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -189.884333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.884333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.267920 (E_RNA)
where:
Base-Base interactions energy: -112.469
where: short stacking energy: -57.595
Base-Backbone interact. energy: -0.150
local terms energy: -77.648975
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -18.507
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -12.956
Dist. restrs. and SS energy: 0.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -168.742768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.742768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.742768 (E_RNA)
where:
Base-Base interactions energy: -101.057
where: short stacking energy: -51.256
Base-Backbone interact. energy: -0.341
local terms energy: -67.344537
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -10.217
flat angles P-C4'-P energy: -13.533
tors. eta vs tors. theta energy: -10.039
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: 4, replica: 5
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -181.141166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.141166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.480750 (E_RNA)
where:
Base-Base interactions energy: -107.314
where: short stacking energy: -60.862
Base-Backbone interact. energy: -0.077
local terms energy: -74.090406
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -10.267
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -17.410
Dist. restrs. and SS energy: 0.340 (S_DIST_RNA)
chem. 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: -163.733468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.733468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.216523 (E_RNA)
where:
Base-Base interactions energy: -104.756
where: short stacking energy: -58.828
Base-Backbone interact. energy: -0.011
local terms energy: -59.449349
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -12.956
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -10.408
Dist. restrs. and SS energy: 0.483 (S_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: 336
Temperature: 1.150000
Total energy: -151.332816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.332816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.372826 (E_RNA)
where:
Base-Base interactions energy: -85.671
where: short stacking energy: -41.147
Base-Backbone interact. energy: -0.328
local terms energy: -65.373963
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -7.031
Dist. restrs. and SS energy: 0.040 (S_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: 336
Temperature: 1.200000
Total energy: -152.040246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.040246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.141431 (E_RNA)
where:
Base-Base interactions energy: -98.027
where: short stacking energy: -49.343
Base-Backbone interact. energy: -0.734
local terms energy: -53.379983
where:
bonds (distance) C4'-P energy: -11.481
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -0.116
tors. eta vs tors. theta energy: -11.788
Dist. restrs. and SS energy: 0.101 (S_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: 336
Temperature: 1.250000
Total energy: -144.871284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.871284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.907522 (E_RNA)
where:
Base-Base interactions energy: -73.623
where: short stacking energy: -40.701
Base-Backbone interact. energy: -0.016
local terms energy: -71.268318
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -11.799
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -136.346957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.346957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.536201 (E_RNA)
where:
Base-Base interactions energy: -75.711
where: short stacking energy: -29.348
Base-Backbone interact. energy: -0.330
local terms energy: -60.495370
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -5.104
Dist. restrs. and SS energy: 0.189 (S_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: 336
Temperature: 1.350000
Total energy: -115.938777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.938777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.938777 (E_RNA)
where:
Base-Base interactions energy: -59.855
where: short stacking energy: -30.128
Base-Backbone interact. energy: -0.039
local terms energy: -56.045485
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -2.580
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -196.716380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.716380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.161135 (E_RNA)
where:
Base-Base interactions energy: -119.386
where: short stacking energy: -74.213
Base-Backbone interact. energy: -0.000
local terms energy: -77.774462
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -19.928
Dist. restrs. and SS energy: 0.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -181.921062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.921062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.960717 (E_RNA)
where:
Base-Base interactions energy: -113.511
where: short stacking energy: -57.799
Base-Backbone interact. energy: -0.576
local terms energy: -67.873382
where:
bonds (distance) C4'-P energy: -12.026
bonds (distance) P-C4' energy: -17.788
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -10.087
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -168.670725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.670725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.670725 (E_RNA)
where:
Base-Base interactions energy: -93.014
where: short stacking energy: -55.787
Base-Backbone interact. energy: -0.114
local terms energy: -75.542223
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -15.604
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -169.657874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.657874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.690756 (E_RNA)
where:
Base-Base interactions energy: -98.096
where: short stacking energy: -57.694
Base-Backbone interact. energy: -0.119
local terms energy: -71.475811
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -13.994
Dist. restrs. and SS energy: 0.033 (S_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: 337
Temperature: 1.100000
Total energy: -169.994482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.994482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.994482 (E_RNA)
where:
Base-Base interactions energy: -103.530
where: short stacking energy: -50.764
Base-Backbone interact. energy: -0.502
local terms energy: -65.963041
where:
bonds (distance) C4'-P energy: -18.957
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: -13.529
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -156.152073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.152073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.152073 (E_RNA)
where:
Base-Base interactions energy: -93.605
where: short stacking energy: -55.394
Base-Backbone interact. energy: -0.038
local terms energy: -62.509563
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -7.124
tors. eta vs tors. theta energy: -15.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -164.337858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.337858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.436002 (E_RNA)
where:
Base-Base interactions energy: -100.957
where: short stacking energy: -61.422
Base-Backbone interact. energy: -0.070
local terms energy: -63.409273
where:
bonds (distance) C4'-P energy: -11.029
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -10.999
Dist. restrs. and SS energy: 0.098 (S_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: 337
Temperature: 1.250000
Total energy: -134.321989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.321989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.460049 (E_RNA)
where:
Base-Base interactions energy: -81.963
where: short stacking energy: -30.228
Base-Backbone interact. energy: -0.704
local terms energy: -51.793356
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -2.833
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -133.190521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.190521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.219543 (E_RNA)
where:
Base-Base interactions energy: -82.654
where: short stacking energy: -46.027
Base-Backbone interact. energy: -0.052
local terms energy: -50.513740
where:
bonds (distance) C4'-P energy: -4.982
bonds (distance) P-C4' energy: -10.505
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -10.620
Dist. restrs. and SS energy: 0.029 (S_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: 337
Temperature: 1.350000
Total energy: -118.675525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.675525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.726367 (E_RNA)
where:
Base-Base interactions energy: -69.721
where: short stacking energy: -41.467
Base-Backbone interact. energy: -0.372
local terms energy: -48.633731
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -9.946
flat angles P-C4'-P energy: -2.613
tors. eta vs tors. theta energy: -11.384
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -187.947535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.947535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.227562 (E_RNA)
where:
Base-Base interactions energy: -113.499
where: short stacking energy: -56.220
Base-Backbone interact. energy: -0.970
local terms energy: -73.758863
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: -16.308
Dist. restrs. and SS energy: 0.280 (S_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: 338
Temperature: 0.950000
Total energy: -187.698360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.698360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.952872 (E_RNA)
where:
Base-Base interactions energy: -115.997
where: short stacking energy: -68.427
Base-Backbone interact. energy: -0.012
local terms energy: -71.944346
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -18.269
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -182.758246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.758246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.819176 (E_RNA)
where:
Base-Base interactions energy: -112.400
where: short stacking energy: -63.939
Base-Backbone interact. energy: -0.570
local terms energy: -69.849280
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -17.536
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -157.017141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.017141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.023198 (E_RNA)
where:
Base-Base interactions energy: -93.983
where: short stacking energy: -56.077
Base-Backbone interact. energy: -0.083
local terms energy: -62.957693
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -12.339
Dist. restrs. and SS energy: 0.006 (S_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: 338
Temperature: 1.100000
Total energy: -159.816644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.816644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.816644 (E_RNA)
where:
Base-Base interactions energy: -100.393
where: short stacking energy: -53.183
Base-Backbone interact. energy: -0.159
local terms energy: -59.265271
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -12.432
flat angles C4'-P-C4' energy: -11.325
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -10.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -149.422312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.422312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.426205 (E_RNA)
where:
Base-Base interactions energy: -86.271
where: short stacking energy: -41.275
Base-Backbone interact. energy: -1.181
local terms energy: -61.974924
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -7.935
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -150.122278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.122278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.122278 (E_RNA)
where:
Base-Base interactions energy: -85.209
where: short stacking energy: -39.106
Base-Backbone interact. energy: -0.214
local terms energy: -64.699342
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -12.593
tors. eta vs tors. theta energy: -8.004
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: 7
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -129.497850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.497850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.497850 (E_RNA)
where:
Base-Base interactions energy: -70.731
where: short stacking energy: -42.235
Base-Backbone interact. energy: -0.070
local terms energy: -58.696519
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -6.288
tors. eta vs tors. theta energy: -7.208
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -143.341380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.341380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.341380 (E_RNA)
where:
Base-Base interactions energy: -82.641
where: short stacking energy: -37.303
Base-Backbone interact. energy: -0.229
local terms energy: -60.471251
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -15.397
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -10.998
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -112.369039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.369039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.369039 (E_RNA)
where:
Base-Base interactions energy: -66.686
where: short stacking energy: -27.209
Base-Backbone interact. energy: -0.169
local terms energy: -45.514776
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -8.286
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -5.599
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: 4
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -180.458365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.458365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.627017 (E_RNA)
where:
Base-Base interactions energy: -109.131
where: short stacking energy: -59.889
Base-Backbone interact. energy: -1.068
local terms energy: -70.428084
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -8.035
tors. eta vs tors. theta energy: -16.666
Dist. restrs. and SS energy: 0.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -190.829644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.829644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.830426 (E_RNA)
where:
Base-Base interactions energy: -116.468
where: short stacking energy: -64.278
Base-Backbone interact. energy: -0.247
local terms energy: -74.114790
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -17.670
Dist. restrs. and SS energy: 0.001 (S_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: -193.324329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.324329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.540427 (E_RNA)
where:
Base-Base interactions energy: -118.668
where: short stacking energy: -74.271
Base-Backbone interact. energy: 0.716
local terms energy: -75.588033
where:
bonds (distance) C4'-P energy: -12.511
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -18.499
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -18.755
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -159.796233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.796233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.035937 (E_RNA)
where:
Base-Base interactions energy: -94.366
where: short stacking energy: -50.324
Base-Backbone interact. energy: 0.217
local terms energy: -65.887445
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -14.174
Dist. restrs. and SS energy: 0.240 (S_DIST_RNA)
chem. 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: -141.383955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.383955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.402680 (E_RNA)
where:
Base-Base interactions energy: -82.708
where: short stacking energy: -45.143
Base-Backbone interact. energy: 0.781
local terms energy: -59.475520
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -4.222
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. 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: -123.242091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.242091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.252423 (E_RNA)
where:
Base-Base interactions energy: -69.003
where: short stacking energy: -37.263
Base-Backbone interact. energy: -0.242
local terms energy: -54.007077
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -10.047
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -5.019
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. 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: -151.351974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.351974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.389485 (E_RNA)
where:
Base-Base interactions energy: -91.255
where: short stacking energy: -47.484
Base-Backbone interact. energy: -0.726
local terms energy: -59.408789
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -4.727
tors. eta vs tors. theta energy: -12.389
Dist. restrs. and SS energy: 0.038 (S_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: 339
Temperature: 1.250000
Total energy: -154.426295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.426295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.426295 (E_RNA)
where:
Base-Base interactions energy: -84.101
where: short stacking energy: -45.589
Base-Backbone interact. energy: -0.289
local terms energy: -70.036189
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -9.919
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: -13.037
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: 9, replica: 7
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -127.660756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.660756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.660756 (E_RNA)
where:
Base-Base interactions energy: -63.894
where: short stacking energy: -35.472
Base-Backbone interact. energy: -0.095
local terms energy: -63.672036
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -10.055
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -115.258482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.258482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.290509 (E_RNA)
where:
Base-Base interactions energy: -55.883
where: short stacking energy: -29.624
Base-Backbone interact. energy: -0.276
local terms energy: -59.131423
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -12.049
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -6.060
tors. eta vs tors. theta energy: -7.939
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -195.064499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.064499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.092000 (E_RNA)
where:
Base-Base interactions energy: -118.834
where: short stacking energy: -74.170
Base-Backbone interact. energy: -0.257
local terms energy: -76.001830
where:
bonds (distance) C4'-P energy: -14.962
bonds (distance) P-C4' energy: -14.065
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -20.274
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -193.411575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.411575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.556423 (E_RNA)
where:
Base-Base interactions energy: -123.771
where: short stacking energy: -63.564
Base-Backbone interact. energy: -1.092
local terms energy: -68.693318
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -13.848
Dist. restrs. and SS energy: 0.145 (S_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: -185.798365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.798365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.017978 (E_RNA)
where:
Base-Base interactions energy: -113.923
where: short stacking energy: -63.144
Base-Backbone interact. energy: -0.140
local terms energy: -71.955422
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -16.594
Dist. restrs. and SS energy: 0.220 (S_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: 340
Temperature: 1.050000
Total energy: -175.090926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.090926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.109556 (E_RNA)
where:
Base-Base interactions energy: -104.696
where: short stacking energy: -61.905
Base-Backbone interact. energy: -0.543
local terms energy: -69.870526
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -15.706
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. 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: -156.965535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.965535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.047091 (E_RNA)
where:
Base-Base interactions energy: -89.862
where: short stacking energy: -47.091
Base-Backbone interact. energy: -0.101
local terms energy: -67.083696
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -12.678
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. 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: -152.322012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.322012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.409949 (E_RNA)
where:
Base-Base interactions energy: -88.048
where: short stacking energy: -57.169
Base-Backbone interact. energy: -0.136
local terms energy: -64.226241
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -11.184
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -153.509757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.509757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.928640 (E_RNA)
where:
Base-Base interactions energy: -90.360
where: short stacking energy: -48.692
Base-Backbone interact. energy: -0.078
local terms energy: -63.490814
where:
bonds (distance) C4'-P energy: -9.485
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -13.047
Dist. restrs. and SS energy: 0.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -139.973206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.973206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.201754 (E_RNA)
where:
Base-Base interactions energy: -77.862
where: short stacking energy: -39.438
Base-Backbone interact. energy: -1.436
local terms energy: -60.903938
where:
bonds (distance) C4'-P energy: -12.060
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -7.531
tors. eta vs tors. theta energy: -13.501
Dist. restrs. and SS energy: 0.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -127.792331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.792331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.850984 (E_RNA)
where:
Base-Base interactions energy: -77.390
where: short stacking energy: -36.674
Base-Backbone interact. energy: -0.129
local terms energy: -50.332046
where:
bonds (distance) C4'-P energy: -7.001
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -8.262
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -114.813818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.813818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.813818 (E_RNA)
where:
Base-Base interactions energy: -61.280
where: short stacking energy: -26.954
Base-Backbone interact. energy: -0.148
local terms energy: -53.385487
where:
bonds (distance) C4'-P energy: -12.217
bonds (distance) P-C4' energy: -11.490
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -6.836
tors. eta vs tors. theta energy: -5.572
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -194.125479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.125479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.166898 (E_RNA)
where:
Base-Base interactions energy: -111.754
where: short stacking energy: -62.177
Base-Backbone interact. energy: 0.588
local terms energy: -83.001142
where:
bonds (distance) C4'-P energy: -17.665
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -20.221
Dist. restrs. and SS energy: 0.041 (S_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: 341
Temperature: 0.950000
Total energy: -177.153930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.153930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.153930 (E_RNA)
where:
Base-Base interactions energy: -103.025
where: short stacking energy: -56.535
Base-Backbone interact. energy: -0.197
local terms energy: -73.931841
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -11.724
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: 8
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -183.008693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.008693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.268145 (E_RNA)
where:
Base-Base interactions energy: -112.184
where: short stacking energy: -65.415
Base-Backbone interact. energy: 0.260
local terms energy: -71.344037
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -16.347
Dist. restrs. and SS energy: 0.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -153.683852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.683852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.991334 (E_RNA)
where:
Base-Base interactions energy: -81.093
where: short stacking energy: -48.038
Base-Backbone interact. energy: -0.254
local terms energy: -72.644351
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -8.721
Dist. restrs. and SS energy: 0.307 (S_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: 341
Temperature: 1.100000
Total energy: -171.227314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.227314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.242216 (E_RNA)
where:
Base-Base interactions energy: -98.648
where: short stacking energy: -55.909
Base-Backbone interact. energy: -0.061
local terms energy: -72.533579
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -11.165
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -15.334
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. 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: -141.893977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.893977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.922245 (E_RNA)
where:
Base-Base interactions energy: -79.881
where: short stacking energy: -41.159
Base-Backbone interact. energy: 0.471
local terms energy: -62.512027
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -3.426
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -133.921718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.921718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.921718 (E_RNA)
where:
Base-Base interactions energy: -65.251
where: short stacking energy: -36.051
Base-Backbone interact. energy: -0.491
local terms energy: -68.179582
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -11.570
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: 3
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -151.226622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.226622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.096185 (E_RNA)
where:
Base-Base interactions energy: -93.146
where: short stacking energy: -49.680
Base-Backbone interact. energy: -0.117
local terms energy: -58.832632
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -11.195
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -10.348
Dist. restrs. and SS energy: 0.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -138.089165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.089165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.164881 (E_RNA)
where:
Base-Base interactions energy: -76.639
where: short stacking energy: -42.326
Base-Backbone interact. energy: -0.542
local terms energy: -60.984368
where:
bonds (distance) C4'-P energy: -9.528
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -12.551
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -115.923159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.923159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.923159 (E_RNA)
where:
Base-Base interactions energy: -68.531
where: short stacking energy: -30.000
Base-Backbone interact. energy: -0.185
local terms energy: -47.206911
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -11.928
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -3.131
tors. eta vs tors. theta energy: -3.032
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: 4
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -196.105941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.105941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.506513 (E_RNA)
where:
Base-Base interactions energy: -123.400
where: short stacking energy: -63.674
Base-Backbone interact. energy: -0.008
local terms energy: -73.098934
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -18.032
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -14.627
Dist. restrs. and SS energy: 0.401 (S_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: 342
Temperature: 0.950000
Total energy: -195.124772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.124772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.640938 (E_RNA)
where:
Base-Base interactions energy: -121.220
where: short stacking energy: -77.196
Base-Backbone interact. energy: -0.002
local terms energy: -74.419050
where:
bonds (distance) C4'-P energy: -15.948
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -18.604
Dist. restrs. and SS energy: 0.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -176.887876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.887876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.084067 (E_RNA)
where:
Base-Base interactions energy: -106.185
where: short stacking energy: -61.185
Base-Backbone interact. energy: -0.016
local terms energy: -70.882858
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -5.814
tors. eta vs tors. theta energy: -16.320
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -161.423829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.423829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.423829 (E_RNA)
where:
Base-Base interactions energy: -92.636
where: short stacking energy: -45.114
Base-Backbone interact. energy: -0.721
local terms energy: -68.066743
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -10.812
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: 2
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -162.247821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.247821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.282197 (E_RNA)
where:
Base-Base interactions energy: -102.284
where: short stacking energy: -57.208
Base-Backbone interact. energy: -0.128
local terms energy: -59.869889
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -9.438
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. 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: -139.098042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.098042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.169778 (E_RNA)
where:
Base-Base interactions energy: -77.163
where: short stacking energy: -47.694
Base-Backbone interact. energy: -0.156
local terms energy: -61.850533
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -5.647
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -127.868067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.868067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.060552 (E_RNA)
where:
Base-Base interactions energy: -71.012
where: short stacking energy: -45.551
Base-Backbone interact. energy: -0.039
local terms energy: -57.009840
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -5.521
tors. eta vs tors. theta energy: -6.136
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -139.506401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.506401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.507637 (E_RNA)
where:
Base-Base interactions energy: -86.516
where: short stacking energy: -55.082
Base-Backbone interact. energy: 0.248
local terms energy: -53.239544
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -9.882
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -6.026
tors. eta vs tors. theta energy: -12.501
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -129.508494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.508494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.520754 (E_RNA)
where:
Base-Base interactions energy: -78.608
where: short stacking energy: -39.020
Base-Backbone interact. energy: 1.151
local terms energy: -52.063426
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -15.608
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -2.247
tors. eta vs tors. theta energy: -8.505
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -141.230134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.230134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.230134 (E_RNA)
where:
Base-Base interactions energy: -82.937
where: short stacking energy: -43.553
Base-Backbone interact. energy: -0.164
local terms energy: -58.129113
where:
bonds (distance) C4'-P energy: -18.287
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -1.173
tors. eta vs tors. theta energy: -9.179
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -199.062566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.062566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.062566 (E_RNA)
where:
Base-Base interactions energy: -111.951
where: short stacking energy: -74.787
Base-Backbone interact. energy: -0.001
local terms energy: -87.110654
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -18.806
flat angles P-C4'-P energy: -13.799
tors. eta vs tors. theta energy: -22.090
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -186.412369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.412369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.417182 (E_RNA)
where:
Base-Base interactions energy: -116.962
where: short stacking energy: -74.699
Base-Backbone interact. energy: -0.011
local terms energy: -69.444610
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -15.270
Dist. restrs. and SS energy: 0.005 (S_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: -175.183573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.183573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.216996 (E_RNA)
where:
Base-Base interactions energy: -105.741
where: short stacking energy: -55.741
Base-Backbone interact. energy: -0.038
local terms energy: -69.438387
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -13.128
Dist. restrs. and SS energy: 0.033 (S_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: 343
Temperature: 1.050000
Total energy: -172.267709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.267709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.492089 (E_RNA)
where:
Base-Base interactions energy: -94.162
where: short stacking energy: -54.296
Base-Backbone interact. energy: -0.172
local terms energy: -78.158085
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -14.818
Dist. restrs. and SS energy: 0.224 (S_DIST_RNA)
chem. 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: -154.492291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.492291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.884198 (E_RNA)
where:
Base-Base interactions energy: -91.719
where: short stacking energy: -47.863
Base-Backbone interact. energy: -0.022
local terms energy: -63.143205
where:
bonds (distance) C4'-P energy: -14.291
bonds (distance) P-C4' energy: -15.879
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: -5.790
Dist. restrs. and SS energy: 0.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -142.624881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.624881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.624881 (E_RNA)
where:
Base-Base interactions energy: -82.092
where: short stacking energy: -51.252
Base-Backbone interact. energy: -0.050
local terms energy: -60.483317
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -8.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -149.939115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.939115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.230656 (E_RNA)
where:
Base-Base interactions energy: -91.767
where: short stacking energy: -50.051
Base-Backbone interact. energy: -0.025
local terms energy: -58.438868
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -5.508
tors. eta vs tors. theta energy: -9.027
Dist. restrs. and SS energy: 0.292 (S_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: 343
Temperature: 1.250000
Total energy: -143.246039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.246039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.246039 (E_RNA)
where:
Base-Base interactions energy: -77.830
where: short stacking energy: -49.541
Base-Backbone interact. energy: -0.301
local terms energy: -65.114523
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -14.149
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -151.391905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.391905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.617618 (E_RNA)
where:
Base-Base interactions energy: -88.719
where: short stacking energy: -45.501
Base-Backbone interact. energy: -0.011
local terms energy: -62.887176
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -13.055
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -10.029
Dist. restrs. and SS energy: 0.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -126.561767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.561767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.718591 (E_RNA)
where:
Base-Base interactions energy: -82.048
where: short stacking energy: -40.952
Base-Backbone interact. energy: -0.137
local terms energy: -44.533363
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -10.960
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -4.077
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -206.842038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.842038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.334643 (E_RNA)
where:
Base-Base interactions energy: -128.151
where: short stacking energy: -79.240
Base-Backbone interact. energy: -0.083
local terms energy: -79.100950
where:
bonds (distance) C4'-P energy: -14.561
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -23.873
Dist. restrs. and SS energy: 0.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -195.387290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.387290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.408822 (E_RNA)
where:
Base-Base interactions energy: -123.242
where: short stacking energy: -73.304
Base-Backbone interact. energy: -0.009
local terms energy: -72.156999
where:
bonds (distance) C4'-P energy: -9.552
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -18.638
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -179.264914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.264914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.264914 (E_RNA)
where:
Base-Base interactions energy: -108.153
where: short stacking energy: -67.094
Base-Backbone interact. energy: -0.239
local terms energy: -70.872731
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -16.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -171.726924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.726924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.022465 (E_RNA)
where:
Base-Base interactions energy: -104.665
where: short stacking energy: -62.329
Base-Backbone interact. energy: -0.126
local terms energy: -67.231819
where:
bonds (distance) C4'-P energy: -10.996
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -17.542
Dist. restrs. and SS energy: 0.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -129.206233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.206233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.206233 (E_RNA)
where:
Base-Base interactions energy: -73.578
where: short stacking energy: -39.945
Base-Backbone interact. energy: 2.195
local terms energy: -57.822858
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -4.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -139.179941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.179941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.217737 (E_RNA)
where:
Base-Base interactions energy: -81.207
where: short stacking energy: -46.510
Base-Backbone interact. energy: -0.507
local terms energy: -57.502998
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -9.063
Dist. restrs. and SS energy: 0.038 (S_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: 344
Temperature: 1.200000
Total energy: -131.039645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.039645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.054402 (E_RNA)
where:
Base-Base interactions energy: -76.107
where: short stacking energy: -40.617
Base-Backbone interact. energy: -0.348
local terms energy: -54.598725
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -12.223
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -6.568
tors. eta vs tors. theta energy: -6.473
Dist. restrs. and SS energy: 0.015 (S_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: 344
Temperature: 1.250000
Total energy: -139.194086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.194086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.201221 (E_RNA)
where:
Base-Base interactions energy: -77.180
where: short stacking energy: -35.244
Base-Backbone interact. energy: -0.131
local terms energy: -61.890817
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -8.339
Dist. restrs. and SS energy: 0.007 (S_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: 344
Temperature: 1.300000
Total energy: -160.143121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.143121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.143121 (E_RNA)
where:
Base-Base interactions energy: -92.798
where: short stacking energy: -50.729
Base-Backbone interact. energy: -0.952
local terms energy: -66.393503
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -17.909
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -10.534
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -130.207580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.207580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.528878 (E_RNA)
where:
Base-Base interactions energy: -74.006
where: short stacking energy: -30.137
Base-Backbone interact. energy: -0.008
local terms energy: -56.515208
where:
bonds (distance) C4'-P energy: -17.939
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -2.396
tors. eta vs tors. theta energy: -5.187
Dist. restrs. and SS energy: 0.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -205.605223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.605223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.605223 (E_RNA)
where:
Base-Base interactions energy: -122.493
where: short stacking energy: -71.767
Base-Backbone interact. energy: -0.017
local terms energy: -83.094975
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -19.011
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -22.017
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: 4
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -192.788791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.788791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.803555 (E_RNA)
where:
Base-Base interactions energy: -116.112
where: short stacking energy: -66.498
Base-Backbone interact. energy: -0.084
local terms energy: -76.607699
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -17.106
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -19.203
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -162.414540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.414540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.414540 (E_RNA)
where:
Base-Base interactions energy: -92.263
where: short stacking energy: -52.751
Base-Backbone interact. energy: -0.004
local terms energy: -70.147319
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -10.268
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: 345
Temperature: 1.050000
Total energy: -184.521961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.521961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.721340 (E_RNA)
where:
Base-Base interactions energy: -112.548
where: short stacking energy: -64.246
Base-Backbone interact. energy: -0.012
local terms energy: -72.160752
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -20.575
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -162.820775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.820775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.317393 (E_RNA)
where:
Base-Base interactions energy: -86.773
where: short stacking energy: -43.465
Base-Backbone interact. energy: -0.060
local terms energy: -76.484445
where:
bonds (distance) C4'-P energy: -18.068
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -18.303
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -12.541
Dist. restrs. and SS energy: 0.497 (S_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: 345
Temperature: 1.150000
Total energy: -141.876480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.876480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.125343 (E_RNA)
where:
Base-Base interactions energy: -83.176
where: short stacking energy: -40.530
Base-Backbone interact. energy: -1.002
local terms energy: -57.946507
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -10.667
Dist. restrs. and SS energy: 0.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -136.497417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.497417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.497417 (E_RNA)
where:
Base-Base interactions energy: -75.694
where: short stacking energy: -42.699
Base-Backbone interact. energy: 0.391
local terms energy: -61.194840
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -6.235
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: 8, replica: 10
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -135.200258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.200258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.455601 (E_RNA)
where:
Base-Base interactions energy: -70.004
where: short stacking energy: -33.791
Base-Backbone interact. energy: -0.021
local terms energy: -65.430594
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -7.435
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -135.708100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.708100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.742908 (E_RNA)
where:
Base-Base interactions energy: -87.611
where: short stacking energy: -49.367
Base-Backbone interact. energy: -0.269
local terms energy: -47.863241
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -10.345
flat angles P-C4'-P energy: -3.706
tors. eta vs tors. theta energy: -7.864
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -113.556568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.556568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.631892 (E_RNA)
where:
Base-Base interactions energy: -59.677
where: short stacking energy: -31.269
Base-Backbone interact. energy: -0.083
local terms energy: -53.871744
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -14.763
flat angles C4'-P-C4' energy: -10.250
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -3.443
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -209.029474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.029474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.372312 (E_RNA)
where:
Base-Base interactions energy: -129.299
where: short stacking energy: -77.354
Base-Backbone interact. energy: -0.020
local terms energy: -80.053171
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -14.142
tors. eta vs tors. theta energy: -21.869
Dist. restrs. and SS energy: 0.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -184.097092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.097092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.097092 (E_RNA)
where:
Base-Base interactions energy: -109.357
where: short stacking energy: -62.848
Base-Backbone interact. energy: -0.072
local terms energy: -74.668079
where:
bonds (distance) C4'-P energy: -17.765
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -14.136
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -185.072667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.072667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.692236 (E_RNA)
where:
Base-Base interactions energy: -108.708
where: short stacking energy: -58.596
Base-Backbone interact. energy: -0.069
local terms energy: -76.915514
where:
bonds (distance) C4'-P energy: -16.237
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: -19.160
Dist. restrs. and SS energy: 0.620 (S_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: 346
Temperature: 1.050000
Total energy: -155.928262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.928262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.928262 (E_RNA)
where:
Base-Base interactions energy: -93.149
where: short stacking energy: -50.346
Base-Backbone interact. energy: -0.067
local terms energy: -62.711782
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -8.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -168.369994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.369994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.384321 (E_RNA)
where:
Base-Base interactions energy: -98.362
where: short stacking energy: -50.293
Base-Backbone interact. energy: -0.224
local terms energy: -69.798033
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -14.657
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -167.314857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.314857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.565592 (E_RNA)
where:
Base-Base interactions energy: -110.007
where: short stacking energy: -59.942
Base-Backbone interact. energy: 1.498
local terms energy: -59.057192
where:
bonds (distance) C4'-P energy: -10.098
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -1.151
tors. eta vs tors. theta energy: -16.424
Dist. restrs. and SS energy: 0.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -132.594060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.594060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.603170 (E_RNA)
where:
Base-Base interactions energy: -75.314
where: short stacking energy: -38.709
Base-Backbone interact. energy: -0.283
local terms energy: -57.005865
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -9.693
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -4.883
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -137.225202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.225202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.295258 (E_RNA)
where:
Base-Base interactions energy: -86.532
where: short stacking energy: -42.691
Base-Backbone interact. energy: -0.269
local terms energy: -50.494432
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -3.649
tors. eta vs tors. theta energy: -7.417
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -121.695994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.695994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.756122 (E_RNA)
where:
Base-Base interactions energy: -61.750
where: short stacking energy: -39.352
Base-Backbone interact. energy: -0.325
local terms energy: -59.680927
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -7.035
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -113.490804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.490804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.495234 (E_RNA)
where:
Base-Base interactions energy: -71.206
where: short stacking energy: -26.368
Base-Backbone interact. energy: -0.104
local terms energy: -42.185264
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -6.111
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -0.840
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -217.280554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.280554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.376817 (E_RNA)
where:
Base-Base interactions energy: -131.435
where: short stacking energy: -73.106
Base-Backbone interact. energy: -0.080
local terms energy: -85.861521
where:
bonds (distance) C4'-P energy: -18.039
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -22.303
Dist. restrs. and SS energy: 0.096 (S_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: 347
Temperature: 0.950000
Total energy: -189.875541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.875541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.546414 (E_RNA)
where:
Base-Base interactions energy: -116.969
where: short stacking energy: -71.452
Base-Backbone interact. energy: -0.012
local terms energy: -73.565040
where:
bonds (distance) C4'-P energy: -11.580
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -16.974
Dist. restrs. and SS energy: 0.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -185.222985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.222985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.422919 (E_RNA)
where:
Base-Base interactions energy: -106.419
where: short stacking energy: -62.467
Base-Backbone interact. energy: -0.097
local terms energy: -79.907321
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -14.199
tors. eta vs tors. theta energy: -18.468
Dist. restrs. and SS energy: 1.200 (S_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: 347
Temperature: 1.050000
Total energy: -162.631507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.631507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.710075 (E_RNA)
where:
Base-Base interactions energy: -101.367
where: short stacking energy: -60.873
Base-Backbone interact. energy: -0.172
local terms energy: -61.170853
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -11.142
Dist. restrs. and SS energy: 0.079 (S_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: 347
Temperature: 1.100000
Total energy: -158.784760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.784760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.575214 (E_RNA)
where:
Base-Base interactions energy: -98.989
where: short stacking energy: -53.787
Base-Backbone interact. energy: -0.095
local terms energy: -60.491367
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -5.783
tors. eta vs tors. theta energy: -11.409
Dist. restrs. and SS energy: 0.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -172.496370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.496370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.496370 (E_RNA)
where:
Base-Base interactions energy: -102.750
where: short stacking energy: -61.402
Base-Backbone interact. energy: -0.003
local terms energy: -69.743410
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -14.983
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -162.106103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.106103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.193313 (E_RNA)
where:
Base-Base interactions energy: -99.208
where: short stacking energy: -51.963
Base-Backbone interact. energy: -0.686
local terms energy: -62.299846
where:
bonds (distance) C4'-P energy: -11.116
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -5.889
tors. eta vs tors. theta energy: -11.192
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -130.070039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.070039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.070039 (E_RNA)
where:
Base-Base interactions energy: -82.186
where: short stacking energy: -41.076
Base-Backbone interact. energy: -0.135
local terms energy: -47.749612
where:
bonds (distance) C4'-P energy: -8.526
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -9.061
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -6.935
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: 1
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -130.959833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.959833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.413283 (E_RNA)
where:
Base-Base interactions energy: -83.398
where: short stacking energy: -36.334
Base-Backbone interact. energy: -0.381
local terms energy: -47.635059
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -9.695
flat angles P-C4'-P energy: -4.474
tors. eta vs tors. theta energy: -4.992
Dist. restrs. and SS energy: 0.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -117.015394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.015394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.094807 (E_RNA)
where:
Base-Base interactions energy: -64.445
where: short stacking energy: -34.178
Base-Backbone interact. energy: -0.517
local terms energy: -52.132667
where:
bonds (distance) C4'-P energy: -9.931
bonds (distance) P-C4' energy: -15.944
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -6.753
tors. eta vs tors. theta energy: -7.285
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -189.684112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.684112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.684112 (E_RNA)
where:
Base-Base interactions energy: -109.443
where: short stacking energy: -66.716
Base-Backbone interact. energy: -0.101
local terms energy: -80.140040
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -17.884
flat angles C4'-P-C4' energy: -18.694
flat angles P-C4'-P energy: -13.744
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: 2, replica: 8
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -199.142294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.142294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.163974 (E_RNA)
where:
Base-Base interactions energy: -115.888
where: short stacking energy: -72.249
Base-Backbone interact. energy: 0.536
local terms energy: -83.811122
where:
bonds (distance) C4'-P energy: -18.643
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -20.226
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -176.046908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.046908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.046908 (E_RNA)
where:
Base-Base interactions energy: -106.736
where: short stacking energy: -55.883
Base-Backbone interact. energy: -0.177
local terms energy: -69.133291
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -14.954
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -162.150686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.150686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.150686 (E_RNA)
where:
Base-Base interactions energy: -92.375
where: short stacking energy: -46.976
Base-Backbone interact. energy: -0.147
local terms energy: -69.629387
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -13.394
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -160.090150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.090150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.115450 (E_RNA)
where:
Base-Base interactions energy: -91.917
where: short stacking energy: -50.355
Base-Backbone interact. energy: -0.108
local terms energy: -68.090472
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -13.573
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -150.165804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.165804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.270178 (E_RNA)
where:
Base-Base interactions energy: -95.541
where: short stacking energy: -55.343
Base-Backbone interact. energy: -0.289
local terms energy: -54.439922
where:
bonds (distance) C4'-P energy: -13.186
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -9.256
flat angles P-C4'-P energy: -6.337
tors. eta vs tors. theta energy: -12.287
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. 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: -161.398433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.398433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.642489 (E_RNA)
where:
Base-Base interactions energy: -91.795
where: short stacking energy: -51.054
Base-Backbone interact. energy: -0.120
local terms energy: -69.727662
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -10.221
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -16.566
Dist. restrs. and SS energy: 0.244 (S_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: 348
Temperature: 1.250000
Total energy: -121.299893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.299893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.301012 (E_RNA)
where:
Base-Base interactions energy: -69.232
where: short stacking energy: -36.931
Base-Backbone interact. energy: -0.720
local terms energy: -51.348949
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -11.314
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -3.710
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -131.189970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.189970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.228780 (E_RNA)
where:
Base-Base interactions energy: -77.094
where: short stacking energy: -44.414
Base-Backbone interact. energy: -0.162
local terms energy: -53.972874
where:
bonds (distance) C4'-P energy: -9.998
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -5.496
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -91.119084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.119084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.903368 (E_RNA)
where:
Base-Base interactions energy: -39.863
where: short stacking energy: -21.239
Base-Backbone interact. energy: -0.678
local terms energy: -53.362233
where:
bonds (distance) C4'-P energy: -10.430
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: 1.517
Dist. restrs. and SS energy: 2.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -195.543102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.543102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.969506 (E_RNA)
where:
Base-Base interactions energy: -117.178
where: short stacking energy: -71.128
Base-Backbone interact. energy: 0.826
local terms energy: -79.617696
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -20.915
Dist. restrs. and SS energy: 0.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -189.346964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.346964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.657729 (E_RNA)
where:
Base-Base interactions energy: -112.188
where: short stacking energy: -60.523
Base-Backbone interact. energy: -0.004
local terms energy: -77.466030
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -18.555
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -19.043
Dist. restrs. and SS energy: 0.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -177.194403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.194403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.249218 (E_RNA)
where:
Base-Base interactions energy: -110.194
where: short stacking energy: -58.725
Base-Backbone interact. energy: -0.272
local terms energy: -66.783531
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -12.737
Dist. restrs. and SS energy: 0.055 (S_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: 349
Temperature: 1.050000
Total energy: -162.384070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.384070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.433761 (E_RNA)
where:
Base-Base interactions energy: -92.566
where: short stacking energy: -55.741
Base-Backbone interact. energy: -2.005
local terms energy: -67.862831
where:
bonds (distance) C4'-P energy: -10.755
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -16.214
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -144.328728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.328728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.328728 (E_RNA)
where:
Base-Base interactions energy: -86.293
where: short stacking energy: -54.508
Base-Backbone interact. energy: -0.562
local terms energy: -57.474290
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -10.373
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -12.629
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -139.839405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.839405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.839405 (E_RNA)
where:
Base-Base interactions energy: -79.028
where: short stacking energy: -45.730
Base-Backbone interact. energy: -0.009
local terms energy: -60.802162
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -10.030
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: 2
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -160.614917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.614917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.616657 (E_RNA)
where:
Base-Base interactions energy: -90.367
where: short stacking energy: -50.772
Base-Backbone interact. energy: -0.206
local terms energy: -70.042818
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -15.097
Dist. restrs. and SS energy: 0.002 (S_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: 349
Temperature: 1.250000
Total energy: -153.058774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.058774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.058774 (E_RNA)
where:
Base-Base interactions energy: -89.005
where: short stacking energy: -40.978
Base-Backbone interact. energy: -0.350
local terms energy: -63.703313
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -7.457
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -120.527791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.527791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.540474 (E_RNA)
where:
Base-Base interactions energy: -68.450
where: short stacking energy: -39.659
Base-Backbone interact. energy: -0.079
local terms energy: -52.011303
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -2.827
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -125.145657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.145657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.171061 (E_RNA)
where:
Base-Base interactions energy: -70.918
where: short stacking energy: -37.794
Base-Backbone interact. energy: -0.197
local terms energy: -54.056426
where:
bonds (distance) C4'-P energy: -17.226
bonds (distance) P-C4' energy: -9.040
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -3.358
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -204.019055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.019055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.019055 (E_RNA)
where:
Base-Base interactions energy: -128.197
where: short stacking energy: -68.450
Base-Backbone interact. energy: -0.086
local terms energy: -75.736329
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -6.673
tors. eta vs tors. theta energy: -21.992
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -192.757111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.757111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.047601 (E_RNA)
where:
Base-Base interactions energy: -114.736
where: short stacking energy: -66.586
Base-Backbone interact. energy: -0.170
local terms energy: -78.141125
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -17.897
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -17.865
Dist. restrs. and SS energy: 0.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -182.577686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.577686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.577686 (E_RNA)
where:
Base-Base interactions energy: -110.142
where: short stacking energy: -60.746
Base-Backbone interact. energy: -0.044
local terms energy: -72.391086
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -19.046
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -156.594877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.594877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.594877 (E_RNA)
where:
Base-Base interactions energy: -86.863
where: short stacking energy: -52.200
Base-Backbone interact. energy: -0.436
local terms energy: -69.295866
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -10.753
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: 5
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -159.352365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.352365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.667291 (E_RNA)
where:
Base-Base interactions energy: -90.317
where: short stacking energy: -43.683
Base-Backbone interact. energy: -0.102
local terms energy: -69.248785
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -13.620
Dist. restrs. and SS energy: 0.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -143.971055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.971055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.073289 (E_RNA)
where:
Base-Base interactions energy: -80.412
where: short stacking energy: -34.278
Base-Backbone interact. energy: -0.254
local terms energy: -63.407775
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -17.327
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -7.167
Dist. restrs. and SS energy: 0.102 (S_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: 350
Temperature: 1.200000
Total energy: -140.719925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.719925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.313122 (E_RNA)
where:
Base-Base interactions energy: -83.592
where: short stacking energy: -53.643
Base-Backbone interact. energy: 0.731
local terms energy: -58.451561
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -8.122
Dist. restrs. and SS energy: 0.593 (S_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: 350
Temperature: 1.250000
Total energy: -148.924953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.924953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.036739 (E_RNA)
where:
Base-Base interactions energy: -77.916
where: short stacking energy: -42.113
Base-Backbone interact. energy: -0.750
local terms energy: -70.370680
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -10.304
tors. eta vs tors. theta energy: -11.971
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -137.700948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.700948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.712063 (E_RNA)
where:
Base-Base interactions energy: -82.029
where: short stacking energy: -44.874
Base-Backbone interact. energy: -0.721
local terms energy: -54.962495
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -6.488
tors. eta vs tors. theta energy: -8.527
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -118.806900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.806900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.806900 (E_RNA)
where:
Base-Base interactions energy: -68.735
where: short stacking energy: -36.681
Base-Backbone interact. energy: 0.719
local terms energy: -50.791555
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -9.016
flat angles P-C4'-P energy: -4.619
tors. eta vs tors. theta energy: -9.078
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: 8
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -201.218028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.218028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.414909 (E_RNA)
where:
Base-Base interactions energy: -122.540
where: short stacking energy: -65.132
Base-Backbone interact. energy: -0.195
local terms energy: -78.679390
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -23.016
Dist. restrs. and SS energy: 0.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -194.172482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.172482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.177112 (E_RNA)
where:
Base-Base interactions energy: -115.056
where: short stacking energy: -63.452
Base-Backbone interact. energy: -1.260
local terms energy: -77.861251
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -17.639
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -16.794
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -177.340224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.340224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.363572 (E_RNA)
where:
Base-Base interactions energy: -109.406
where: short stacking energy: -60.028
Base-Backbone interact. energy: 0.925
local terms energy: -68.882173
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -16.062
Dist. restrs. and SS energy: 0.023 (S_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: 351
Temperature: 1.050000
Total energy: -168.416142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.416142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.540849 (E_RNA)
where:
Base-Base interactions energy: -104.315
where: short stacking energy: -64.481
Base-Backbone interact. energy: -0.066
local terms energy: -64.159551
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -16.800
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -13.969
Dist. restrs. and SS energy: 0.125 (S_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: 351
Temperature: 1.100000
Total energy: -167.502101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.502101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.502101 (E_RNA)
where:
Base-Base interactions energy: -97.418
where: short stacking energy: -55.877
Base-Backbone interact. energy: -0.322
local terms energy: -69.762607
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -15.928
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -155.238601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.238601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.414208 (E_RNA)
where:
Base-Base interactions energy: -90.725
where: short stacking energy: -51.192
Base-Backbone interact. energy: -0.004
local terms energy: -64.684968
where:
bonds (distance) C4'-P energy: -8.654
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -16.535
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -147.219927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.219927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.433577 (E_RNA)
where:
Base-Base interactions energy: -82.770
where: short stacking energy: -42.930
Base-Backbone interact. energy: -0.277
local terms energy: -64.387193
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -7.010
Dist. restrs. and SS energy: 0.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -126.350953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.350953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.374535 (E_RNA)
where:
Base-Base interactions energy: -72.374
where: short stacking energy: -34.113
Base-Backbone interact. energy: -0.641
local terms energy: -53.359845
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -10.072
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -2.944
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -122.513168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.513168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.624184 (E_RNA)
where:
Base-Base interactions energy: -69.523
where: short stacking energy: -35.563
Base-Backbone interact. energy: 0.196
local terms energy: -53.297448
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -9.403
flat angles P-C4'-P energy: -6.605
tors. eta vs tors. theta energy: -7.690
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -122.883290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.883290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.923033 (E_RNA)
where:
Base-Base interactions energy: -70.805
where: short stacking energy: -39.487
Base-Backbone interact. energy: -0.644
local terms energy: -51.473766
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -2.238
tors. eta vs tors. theta energy: -6.913
Dist. restrs. and SS energy: 0.040 (S_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: 352
Temperature: 0.900000
Total energy: -196.608640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.608640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.648358 (E_RNA)
where:
Base-Base interactions energy: -118.398
where: short stacking energy: -73.392
Base-Backbone interact. energy: 2.219
local terms energy: -80.469509
where:
bonds (distance) C4'-P energy: -17.061
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -20.325
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -188.042204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.042204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.275045 (E_RNA)
where:
Base-Base interactions energy: -106.588
where: short stacking energy: -58.761
Base-Backbone interact. energy: -0.306
local terms energy: -81.380881
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -17.121
flat angles C4'-P-C4' energy: -19.247
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -17.740
Dist. restrs. and SS energy: 0.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -178.797115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.797115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.813683 (E_RNA)
where:
Base-Base interactions energy: -101.318
where: short stacking energy: -61.207
Base-Backbone interact. energy: -0.124
local terms energy: -77.372102
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -19.237
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -16.831
Dist. restrs. and SS energy: 0.017 (S_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: 352
Temperature: 1.050000
Total energy: -177.018620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.018620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.524210 (E_RNA)
where:
Base-Base interactions energy: -107.202
where: short stacking energy: -58.994
Base-Backbone interact. energy: -0.730
local terms energy: -69.591973
where:
bonds (distance) C4'-P energy: -16.672
bonds (distance) P-C4' energy: -7.536
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -16.964
Dist. restrs. and SS energy: 0.506 (S_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: 352
Temperature: 1.100000
Total energy: -172.474320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.474320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.001554 (E_RNA)
where:
Base-Base interactions energy: -101.525
where: short stacking energy: -57.640
Base-Backbone interact. energy: -0.654
local terms energy: -70.822158
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -8.770
flat angles P-C4'-P energy: -14.550
tors. eta vs tors. theta energy: -16.621
Dist. restrs. and SS energy: 0.527 (S_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: 352
Temperature: 1.150000
Total energy: -175.465169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.465169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.502605 (E_RNA)
where:
Base-Base interactions energy: -114.267
where: short stacking energy: -71.995
Base-Backbone interact. energy: -0.038
local terms energy: -61.197071
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -11.847
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: -16.713
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -157.676697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.676697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.044632 (E_RNA)
where:
Base-Base interactions energy: -101.738
where: short stacking energy: -41.040
Base-Backbone interact. energy: 0.001
local terms energy: -56.307553
where:
bonds (distance) C4'-P energy: -8.483
bonds (distance) P-C4' energy: -14.454
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -8.384
Dist. restrs. and SS energy: 0.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -136.013835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.013835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.059929 (E_RNA)
where:
Base-Base interactions energy: -83.966
where: short stacking energy: -48.516
Base-Backbone interact. energy: -0.438
local terms energy: -51.655333
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -1.938
tors. eta vs tors. theta energy: -8.779
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -139.913209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.913209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.009634 (E_RNA)
where:
Base-Base interactions energy: -83.742
where: short stacking energy: -39.840
Base-Backbone interact. energy: 1.084
local terms energy: -57.350953
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -10.007
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -10.417
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -131.431234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.431234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.774108 (E_RNA)
where:
Base-Base interactions energy: -72.300
where: short stacking energy: -44.276
Base-Backbone interact. energy: -0.063
local terms energy: -59.411333
where:
bonds (distance) C4'-P energy: -13.430
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -10.221
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -8.990
Dist. restrs. and SS energy: 0.343 (S_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: 353
Temperature: 0.900000
Total energy: -190.093538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.093538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.093538 (E_RNA)
where:
Base-Base interactions energy: -115.525
where: short stacking energy: -69.252
Base-Backbone interact. energy: -1.090
local terms energy: -73.478220
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -10.093
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -19.538
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -190.014387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.014387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.156353 (E_RNA)
where:
Base-Base interactions energy: -110.333
where: short stacking energy: -63.910
Base-Backbone interact. energy: -0.067
local terms energy: -79.756341
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -18.903
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -179.839431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.839431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.159432 (E_RNA)
where:
Base-Base interactions energy: -109.599
where: short stacking energy: -58.505
Base-Backbone interact. energy: -0.048
local terms energy: -70.512337
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -17.683
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -14.081
Dist. restrs. and SS energy: 0.320 (S_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: 353
Temperature: 1.050000
Total energy: -171.600215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.600215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.650314 (E_RNA)
where:
Base-Base interactions energy: -100.722
where: short stacking energy: -60.610
Base-Backbone interact. energy: -0.467
local terms energy: -70.460899
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -15.561
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -166.866055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.866055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.561603 (E_RNA)
where:
Base-Base interactions energy: -101.848
where: short stacking energy: -55.014
Base-Backbone interact. energy: -0.297
local terms energy: -65.416782
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -9.671
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -12.253
Dist. restrs. and SS energy: 0.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -150.059780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.059780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.090886 (E_RNA)
where:
Base-Base interactions energy: -88.014
where: short stacking energy: -49.701
Base-Backbone interact. energy: -0.306
local terms energy: -61.770548
where:
bonds (distance) C4'-P energy: -16.034
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -2.548
tors. eta vs tors. theta energy: -11.407
Dist. restrs. and SS energy: 0.031 (S_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: 353
Temperature: 1.200000
Total energy: -135.805804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.805804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.827455 (E_RNA)
where:
Base-Base interactions energy: -72.690
where: short stacking energy: -39.568
Base-Backbone interact. energy: -0.024
local terms energy: -63.114253
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -11.974
Dist. restrs. and SS energy: 0.022 (S_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: 353
Temperature: 1.250000
Total energy: -140.389857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.389857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.389857 (E_RNA)
where:
Base-Base interactions energy: -82.172
where: short stacking energy: -38.225
Base-Backbone interact. energy: -0.088
local terms energy: -58.130002
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -12.459
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -9.909
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: 9, replica: 1
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -135.622558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.622558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.622558 (E_RNA)
where:
Base-Base interactions energy: -82.653
where: short stacking energy: -41.783
Base-Backbone interact. energy: -0.017
local terms energy: -52.952956
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -6.160
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: 3
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -123.820718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.820718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.673976 (E_RNA)
where:
Base-Base interactions energy: -67.060
where: short stacking energy: -42.027
Base-Backbone interact. energy: -0.281
local terms energy: -57.332755
where:
bonds (distance) C4'-P energy: -10.238
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -4.135
tors. eta vs tors. theta energy: -7.077
Dist. restrs. and SS energy: 0.853 (S_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: 354
Temperature: 0.900000
Total energy: -199.469852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.469852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.469852 (E_RNA)
where:
Base-Base interactions energy: -116.238
where: short stacking energy: -68.563
Base-Backbone interact. energy: -0.091
local terms energy: -83.140576
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -14.815
tors. eta vs tors. theta energy: -16.851
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: 8
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -186.720853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.720853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.814310 (E_RNA)
where:
Base-Base interactions energy: -110.921
where: short stacking energy: -64.752
Base-Backbone interact. energy: -0.009
local terms energy: -75.884691
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -17.128
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -15.595
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -184.318463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.318463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.366328 (E_RNA)
where:
Base-Base interactions energy: -112.369
where: short stacking energy: -58.590
Base-Backbone interact. energy: 0.424
local terms energy: -72.420676
where:
bonds (distance) C4'-P energy: -17.988
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -17.584
Dist. restrs. and SS energy: 0.048 (S_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: 354
Temperature: 1.050000
Total energy: -166.480968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.480968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.534424 (E_RNA)
where:
Base-Base interactions energy: -97.362
where: short stacking energy: -57.715
Base-Backbone interact. energy: -0.003
local terms energy: -69.169974
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -14.503
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -157.792361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.792361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.834151 (E_RNA)
where:
Base-Base interactions energy: -95.102
where: short stacking energy: -52.782
Base-Backbone interact. energy: -0.283
local terms energy: -62.449216
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -12.227
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -12.670
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -145.565835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.565835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.656513 (E_RNA)
where:
Base-Base interactions energy: -85.637
where: short stacking energy: -50.994
Base-Backbone interact. energy: 3.876
local terms energy: -63.895734
where:
bonds (distance) C4'-P energy: -12.705
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -6.122
tors. eta vs tors. theta energy: -13.674
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -136.547209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.547209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.547209 (E_RNA)
where:
Base-Base interactions energy: -80.888
where: short stacking energy: -41.623
Base-Backbone interact. energy: -0.145
local terms energy: -55.514176
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -11.529
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -6.732
tors. eta vs tors. theta energy: -7.023
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -129.803114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.803114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.803114 (E_RNA)
where:
Base-Base interactions energy: -69.020
where: short stacking energy: -38.842
Base-Backbone interact. energy: -0.302
local terms energy: -60.480836
where:
bonds (distance) C4'-P energy: -15.466
bonds (distance) P-C4' energy: -11.132
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -8.819
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -127.165335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.165335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.238284 (E_RNA)
where:
Base-Base interactions energy: -68.991
where: short stacking energy: -34.940
Base-Backbone interact. energy: -0.569
local terms energy: -57.678409
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -6.587
tors. eta vs tors. theta energy: -6.317
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -117.046204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.046204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.059907 (E_RNA)
where:
Base-Base interactions energy: -58.406
where: short stacking energy: -28.116
Base-Backbone interact. energy: -0.191
local terms energy: -58.462283
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -15.950
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -6.590
Dist. restrs. and SS energy: 0.014 (S_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: 355
Temperature: 0.900000
Total energy: -201.168858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.168858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.259584 (E_RNA)
where:
Base-Base interactions energy: -122.109
where: short stacking energy: -75.468
Base-Backbone interact. energy: -0.015
local terms energy: -79.135857
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -17.429
flat angles P-C4'-P energy: -6.543
tors. eta vs tors. theta energy: -21.681
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -192.996114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.996114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.996114 (E_RNA)
where:
Base-Base interactions energy: -117.031
where: short stacking energy: -63.307
Base-Backbone interact. energy: -0.027
local terms energy: -75.938265
where:
bonds (distance) C4'-P energy: -16.908
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -17.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -172.311719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.311719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.610429 (E_RNA)
where:
Base-Base interactions energy: -103.834
where: short stacking energy: -57.535
Base-Backbone interact. energy: -0.158
local terms energy: -68.618335
where:
bonds (distance) C4'-P energy: -17.244
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -13.325
Dist. restrs. and SS energy: 0.299 (S_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: 355
Temperature: 1.050000
Total energy: -164.357260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.357260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.446273 (E_RNA)
where:
Base-Base interactions energy: -98.277
where: short stacking energy: -60.864
Base-Backbone interact. energy: -0.009
local terms energy: -66.160394
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -4.470
tors. eta vs tors. theta energy: -15.614
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -191.314048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.314048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.426151 (E_RNA)
where:
Base-Base interactions energy: -117.632
where: short stacking energy: -72.772
Base-Backbone interact. energy: -0.049
local terms energy: -73.745227
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -19.197
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -16.612
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -173.194709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.194709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.324103 (E_RNA)
where:
Base-Base interactions energy: -111.565
where: short stacking energy: -51.769
Base-Backbone interact. energy: -0.082
local terms energy: -61.677349
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -16.056
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -12.480
Dist. restrs. and SS energy: 0.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -132.715863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.715863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.715863 (E_RNA)
where:
Base-Base interactions energy: -74.953
where: short stacking energy: -48.859
Base-Backbone interact. energy: -0.055
local terms energy: -57.707816
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: -6.174
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -138.201729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.201729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.548164 (E_RNA)
where:
Base-Base interactions energy: -82.078
where: short stacking energy: -43.838
Base-Backbone interact. energy: -0.523
local terms energy: -55.946628
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -7.267
Dist. restrs. and SS energy: 0.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -129.438582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.438582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.449643 (E_RNA)
where:
Base-Base interactions energy: -77.869
where: short stacking energy: -46.320
Base-Backbone interact. energy: -0.297
local terms energy: -51.284219
where:
bonds (distance) C4'-P energy: -10.243
bonds (distance) P-C4' energy: -7.496
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -9.853
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -125.027053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.027053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.029453 (E_RNA)
where:
Base-Base interactions energy: -75.910
where: short stacking energy: -41.318
Base-Backbone interact. energy: -0.173
local terms energy: -48.946919
where:
bonds (distance) C4'-P energy: -6.752
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -4.007
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -195.397337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.397337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.631690 (E_RNA)
where:
Base-Base interactions energy: -117.927
where: short stacking energy: -68.057
Base-Backbone interact. energy: -0.089
local terms energy: -77.616221
where:
bonds (distance) C4'-P energy: -16.250
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -18.832
Dist. restrs. and SS energy: 0.234 (S_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: 356
Temperature: 0.950000
Total energy: -198.322693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.322693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.501366 (E_RNA)
where:
Base-Base interactions energy: -123.738
where: short stacking energy: -75.408
Base-Backbone interact. energy: -0.001
local terms energy: -74.762673
where:
bonds (distance) C4'-P energy: -7.905
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -22.549
Dist. restrs. and SS energy: 0.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -177.525601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.525601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.576604 (E_RNA)
where:
Base-Base interactions energy: -115.909
where: short stacking energy: -60.644
Base-Backbone interact. energy: -0.262
local terms energy: -61.405147
where:
bonds (distance) C4'-P energy: -6.981
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -9.262
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -16.451
Dist. restrs. and SS energy: 0.051 (S_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: 356
Temperature: 1.050000
Total energy: -175.109071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.109071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.408940 (E_RNA)
where:
Base-Base interactions energy: -110.035
where: short stacking energy: -54.968
Base-Backbone interact. energy: -0.254
local terms energy: -65.119602
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -15.239
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -6.278
tors. eta vs tors. theta energy: -15.277
Dist. restrs. and SS energy: 0.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -171.855617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.855617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.890594 (E_RNA)
where:
Base-Base interactions energy: -103.766
where: short stacking energy: -53.948
Base-Backbone interact. energy: -0.245
local terms energy: -67.879373
where:
bonds (distance) C4'-P energy: -14.296
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -10.871
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -17.521
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -157.367612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.367612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.512725 (E_RNA)
where:
Base-Base interactions energy: -87.882
where: short stacking energy: -45.079
Base-Backbone interact. energy: -0.108
local terms energy: -69.523095
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -17.788
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -10.522
Dist. restrs. and SS energy: 0.145 (S_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: 356
Temperature: 1.200000
Total energy: -136.051863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.051863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.067566 (E_RNA)
where:
Base-Base interactions energy: -72.986
where: short stacking energy: -47.906
Base-Backbone interact. energy: -0.161
local terms energy: -62.921181
where:
bonds (distance) C4'-P energy: -10.736
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -11.399
Dist. restrs. and SS energy: 0.016 (S_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: 356
Temperature: 1.250000
Total energy: -123.051542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.051542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.061876 (E_RNA)
where:
Base-Base interactions energy: -64.757
where: short stacking energy: -35.091
Base-Backbone interact. energy: -0.431
local terms energy: -57.874520
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -11.477
flat angles C4'-P-C4' energy: -11.618
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -6.203
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -116.743257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.743257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.808851 (E_RNA)
where:
Base-Base interactions energy: -60.291
where: short stacking energy: -28.027
Base-Backbone interact. energy: -0.735
local terms energy: -55.783748
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -10.900
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -3.768
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -134.265271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.265271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.265271 (E_RNA)
where:
Base-Base interactions energy: -76.261
where: short stacking energy: -41.186
Base-Backbone interact. energy: -0.391
local terms energy: -57.612765
where:
bonds (distance) C4'-P energy: -9.998
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -9.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -195.771107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.771107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.771107 (E_RNA)
where:
Base-Base interactions energy: -117.671
where: short stacking energy: -69.457
Base-Backbone interact. energy: -0.116
local terms energy: -77.984027
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -18.214
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -17.982
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: 8
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -183.214541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.214541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.214541 (E_RNA)
where:
Base-Base interactions energy: -112.865
where: short stacking energy: -65.976
Base-Backbone interact. energy: -0.143
local terms energy: -70.206229
where:
bonds (distance) C4'-P energy: -8.972
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -18.262
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -184.990546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.990546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.307850 (E_RNA)
where:
Base-Base interactions energy: -115.885
where: short stacking energy: -62.541
Base-Backbone interact. energy: -0.059
local terms energy: -69.363509
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -17.230
Dist. restrs. and SS energy: 0.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -180.624924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.624924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.851548 (E_RNA)
where:
Base-Base interactions energy: -110.392
where: short stacking energy: -64.299
Base-Backbone interact. energy: -0.056
local terms energy: -70.403910
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -7.457
tors. eta vs tors. theta energy: -16.758
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -173.254127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.254127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.520643 (E_RNA)
where:
Base-Base interactions energy: -107.453
where: short stacking energy: -57.548
Base-Backbone interact. energy: -0.048
local terms energy: -66.020266
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -11.097
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -12.766
Dist. restrs. and SS energy: 0.267 (S_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: 357
Temperature: 1.150000
Total energy: -137.229087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.229087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.235765 (E_RNA)
where:
Base-Base interactions energy: -80.495
where: short stacking energy: -45.338
Base-Backbone interact. energy: -0.516
local terms energy: -56.224909
where:
bonds (distance) C4'-P energy: -8.143
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -4.691
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -147.275792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.275792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.311777 (E_RNA)
where:
Base-Base interactions energy: -77.896
where: short stacking energy: -40.044
Base-Backbone interact. energy: -0.220
local terms energy: -69.196256
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -14.404
tors. eta vs tors. theta energy: -5.484
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -130.910224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.910224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.910224 (E_RNA)
where:
Base-Base interactions energy: -75.286
where: short stacking energy: -43.806
Base-Backbone interact. energy: -0.180
local terms energy: -55.443463
where:
bonds (distance) C4'-P energy: -18.096
bonds (distance) P-C4' energy: -12.238
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -5.051
tors. eta vs tors. theta energy: -6.722
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: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -122.416753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.416753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.416753 (E_RNA)
where:
Base-Base interactions energy: -64.570
where: short stacking energy: -37.641
Base-Backbone interact. energy: 0.106
local terms energy: -57.951967
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -10.392
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -7.972
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -131.131076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.131076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.138951 (E_RNA)
where:
Base-Base interactions energy: -75.774
where: short stacking energy: -41.393
Base-Backbone interact. energy: -0.223
local terms energy: -55.141978
where:
bonds (distance) C4'-P energy: -9.018
bonds (distance) P-C4' energy: -12.784
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -7.192
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -190.721773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.721773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.721773 (E_RNA)
where:
Base-Base interactions energy: -118.830
where: short stacking energy: -62.378
Base-Backbone interact. energy: 0.247
local terms energy: -72.138176
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -17.201
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: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -201.062883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.062883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.476049 (E_RNA)
where:
Base-Base interactions energy: -122.542
where: short stacking energy: -73.767
Base-Backbone interact. energy: -0.025
local terms energy: -78.909038
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -13.689
tors. eta vs tors. theta energy: -21.285
Dist. restrs. and SS energy: 0.413 (S_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: 358
Temperature: 1.000000
Total energy: -174.038963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.038963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.339552 (E_RNA)
where:
Base-Base interactions energy: -112.323
where: short stacking energy: -60.251
Base-Backbone interact. energy: -0.091
local terms energy: -61.925946
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -9.686
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -16.726
Dist. restrs. and SS energy: 0.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -178.951118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.951118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.157697 (E_RNA)
where:
Base-Base interactions energy: -103.196
where: short stacking energy: -51.955
Base-Backbone interact. energy: -1.047
local terms energy: -74.914197
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -18.138
Dist. restrs. and SS energy: 0.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -163.716079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.716079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.167566 (E_RNA)
where:
Base-Base interactions energy: -94.087
where: short stacking energy: -45.828
Base-Backbone interact. energy: -0.051
local terms energy: -70.028710
where:
bonds (distance) C4'-P energy: -19.036
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -10.146
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -12.758
Dist. restrs. and SS energy: 0.451 (S_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: 358
Temperature: 1.150000
Total energy: -147.185024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.185024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.225028 (E_RNA)
where:
Base-Base interactions energy: -86.532
where: short stacking energy: -49.787
Base-Backbone interact. energy: -0.004
local terms energy: -60.688941
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -7.915
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -9.841
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -140.903167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.903167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.903167 (E_RNA)
where:
Base-Base interactions energy: -80.082
where: short stacking energy: -48.842
Base-Backbone interact. energy: -0.061
local terms energy: -60.759512
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: -6.671
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -144.470094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.470094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.500090 (E_RNA)
where:
Base-Base interactions energy: -94.496
where: short stacking energy: -42.010
Base-Backbone interact. energy: -0.189
local terms energy: -49.815712
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -8.344
flat angles C4'-P-C4' energy: -11.353
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -7.723
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -132.173918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.173918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.178727 (E_RNA)
where:
Base-Base interactions energy: -72.883
where: short stacking energy: -43.769
Base-Backbone interact. energy: -0.329
local terms energy: -58.966695
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -6.811
tors. eta vs tors. theta energy: -9.889
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -116.931054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.931054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.931054 (E_RNA)
where:
Base-Base interactions energy: -64.966
where: short stacking energy: -31.817
Base-Backbone interact. energy: -1.228
local terms energy: -50.737358
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -10.944
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -4.001
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -195.518223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.518223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.095632 (E_RNA)
where:
Base-Base interactions energy: -117.096
where: short stacking energy: -69.826
Base-Backbone interact. energy: -0.163
local terms energy: -78.836681
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -18.235
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -16.048
Dist. restrs. and SS energy: 0.577 (S_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: 359
Temperature: 0.950000
Total energy: -186.088189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.088189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.092521 (E_RNA)
where:
Base-Base interactions energy: -108.672
where: short stacking energy: -61.688
Base-Backbone interact. energy: -0.075
local terms energy: -77.346310
where:
bonds (distance) C4'-P energy: -17.020
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: -19.456
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -199.331420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.331420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.783185 (E_RNA)
where:
Base-Base interactions energy: -123.258
where: short stacking energy: -70.640
Base-Backbone interact. energy: -0.017
local terms energy: -76.508641
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -19.348
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -18.851
Dist. restrs. and SS energy: 0.452 (S_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: 359
Temperature: 1.050000
Total energy: -173.277813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.277813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.536701 (E_RNA)
where:
Base-Base interactions energy: -101.347
where: short stacking energy: -56.511
Base-Backbone interact. energy: -0.004
local terms energy: -72.185417
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -12.392
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -15.686
Dist. restrs. and SS energy: 0.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -159.346599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.346599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.346599 (E_RNA)
where:
Base-Base interactions energy: -90.015
where: short stacking energy: -47.371
Base-Backbone interact. energy: -0.036
local terms energy: -69.295733
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -10.851
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: 359
Temperature: 1.150000
Total energy: -146.023908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.023908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.194703 (E_RNA)
where:
Base-Base interactions energy: -84.731
where: short stacking energy: -39.366
Base-Backbone interact. energy: -0.076
local terms energy: -61.387949
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -4.953
Dist. restrs. and SS energy: 0.171 (S_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: 359
Temperature: 1.200000
Total energy: -138.222864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.222864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.222864 (E_RNA)
where:
Base-Base interactions energy: -77.518
where: short stacking energy: -42.186
Base-Backbone interact. energy: -0.070
local terms energy: -60.635673
where:
bonds (distance) C4'-P energy: -17.413
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -11.020
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -9.991
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: 3
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -128.956683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.956683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.956683 (E_RNA)
where:
Base-Base interactions energy: -67.348
where: short stacking energy: -35.633
Base-Backbone interact. energy: -0.587
local terms energy: -61.022098
where:
bonds (distance) C4'-P energy: -15.926
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -6.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -129.691784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.691784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.699660 (E_RNA)
where:
Base-Base interactions energy: -77.852
where: short stacking energy: -43.742
Base-Backbone interact. energy: -0.717
local terms energy: -51.130717
where:
bonds (distance) C4'-P energy: -8.297
bonds (distance) P-C4' energy: -10.909
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -8.441
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -146.796701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.796701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.871256 (E_RNA)
where:
Base-Base interactions energy: -81.834
where: short stacking energy: -39.725
Base-Backbone interact. energy: -0.115
local terms energy: -64.922256
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -5.772
tors. eta vs tors. theta energy: -12.606
Dist. restrs. and SS energy: 0.075 (S_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: 360
Temperature: 0.900000
Total energy: -190.076304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.076304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.498146 (E_RNA)
where:
Base-Base interactions energy: -114.270
where: short stacking energy: -66.354
Base-Backbone interact. energy: -0.033
local terms energy: -76.195411
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -17.197
Dist. restrs. and SS energy: 0.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -191.053623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.053623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.375071 (E_RNA)
where:
Base-Base interactions energy: -115.446
where: short stacking energy: -69.445
Base-Backbone interact. energy: -0.014
local terms energy: -75.914688
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -13.455
tors. eta vs tors. theta energy: -15.528
Dist. restrs. and SS energy: 0.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -188.316311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.316311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.330598 (E_RNA)
where:
Base-Base interactions energy: -106.071
where: short stacking energy: -69.593
Base-Backbone interact. energy: -0.165
local terms energy: -82.094484
where:
bonds (distance) C4'-P energy: -14.151
bonds (distance) P-C4' energy: -19.824
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -21.022
Dist. restrs. and SS energy: 0.014 (S_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: 360
Temperature: 1.050000
Total energy: -171.394193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.394193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.398472 (E_RNA)
where:
Base-Base interactions energy: -107.968
where: short stacking energy: -57.711
Base-Backbone interact. energy: -0.038
local terms energy: -63.393108
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -10.199
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -14.772
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -160.286739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.286739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.555160 (E_RNA)
where:
Base-Base interactions energy: -97.587
where: short stacking energy: -53.692
Base-Backbone interact. energy: -0.004
local terms energy: -62.963926
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -14.227
Dist. restrs. and SS energy: 0.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -143.324438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.324438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.627600 (E_RNA)
where:
Base-Base interactions energy: -92.375
where: short stacking energy: -39.362
Base-Backbone interact. energy: -0.393
local terms energy: -50.860207
where:
bonds (distance) C4'-P energy: -10.611
bonds (distance) P-C4' energy: -13.302
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -2.412
Dist. restrs. and SS energy: 0.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -132.924462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.924462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.972588 (E_RNA)
where:
Base-Base interactions energy: -68.397
where: short stacking energy: -37.989
Base-Backbone interact. energy: -0.166
local terms energy: -64.409488
where:
bonds (distance) C4'-P energy: -17.222
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -10.403
Dist. restrs. and SS energy: 0.048 (S_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: 360
Temperature: 1.250000
Total energy: -138.825780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.825780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.825780 (E_RNA)
where:
Base-Base interactions energy: -84.150
where: short stacking energy: -39.609
Base-Backbone interact. energy: -0.727
local terms energy: -53.948783
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -5.016
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -123.072795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.072795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.084525 (E_RNA)
where:
Base-Base interactions energy: -60.471
where: short stacking energy: -38.457
Base-Backbone interact. energy: -0.058
local terms energy: -62.555631
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -6.983
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -123.585503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.585503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.585503 (E_RNA)
where:
Base-Base interactions energy: -64.254
where: short stacking energy: -34.793
Base-Backbone interact. energy: -0.405
local terms energy: -58.926901
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -4.393
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: 6
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -201.324700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.324700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.432598 (E_RNA)
where:
Base-Base interactions energy: -127.283
where: short stacking energy: -70.535
Base-Backbone interact. energy: -0.625
local terms energy: -73.523819
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -18.094
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -184.643064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.643064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.802122 (E_RNA)
where:
Base-Base interactions energy: -107.619
where: short stacking energy: -61.664
Base-Backbone interact. energy: -0.099
local terms energy: -77.083977
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -16.439
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -187.474232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.474232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.485059 (E_RNA)
where:
Base-Base interactions energy: -111.880
where: short stacking energy: -60.770
Base-Backbone interact. energy: 0.786
local terms energy: -76.391024
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -17.582
flat angles P-C4'-P energy: -13.434
tors. eta vs tors. theta energy: -13.092
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -166.988977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.988977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.137788 (E_RNA)
where:
Base-Base interactions energy: -91.477
where: short stacking energy: -50.452
Base-Backbone interact. energy: -0.328
local terms energy: -75.333603
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -16.082
Dist. restrs. and SS energy: 0.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -164.719817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.719817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.719817 (E_RNA)
where:
Base-Base interactions energy: -91.976
where: short stacking energy: -49.013
Base-Backbone interact. energy: -0.029
local terms energy: -72.715394
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -12.467
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: 6, replica: 3
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -146.544214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.544214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.544214 (E_RNA)
where:
Base-Base interactions energy: -76.950
where: short stacking energy: -41.724
Base-Backbone interact. energy: -0.331
local terms energy: -69.263861
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -15.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -138.204692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.204692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.339248 (E_RNA)
where:
Base-Base interactions energy: -69.926
where: short stacking energy: -42.083
Base-Backbone interact. energy: -0.186
local terms energy: -68.226960
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -7.505
Dist. restrs. and SS energy: 0.135 (S_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: 361
Temperature: 1.250000
Total energy: -136.145032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.145032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.167733 (E_RNA)
where:
Base-Base interactions energy: -83.699
where: short stacking energy: -45.110
Base-Backbone interact. energy: -0.183
local terms energy: -52.285534
where:
bonds (distance) C4'-P energy: -10.511
bonds (distance) P-C4' energy: -10.920
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -5.422
tors. eta vs tors. theta energy: -9.483
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -129.118316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.118316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.143723 (E_RNA)
where:
Base-Base interactions energy: -71.381
where: short stacking energy: -40.787
Base-Backbone interact. energy: -0.604
local terms energy: -57.159580
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -7.903
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. 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: -130.159760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.159760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.208646 (E_RNA)
where:
Base-Base interactions energy: -73.816
where: short stacking energy: -42.059
Base-Backbone interact. energy: -0.009
local terms energy: -56.383742
where:
bonds (distance) C4'-P energy: -14.870
bonds (distance) P-C4' energy: -12.133
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -6.535
Dist. restrs. and SS energy: 0.049 (S_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: 362
Temperature: 0.900000
Total energy: -198.787160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.787160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.905873 (E_RNA)
where:
Base-Base interactions energy: -121.752
where: short stacking energy: -77.479
Base-Backbone interact. energy: -0.001
local terms energy: -77.152955
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -21.276
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -183.046695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.046695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.613182 (E_RNA)
where:
Base-Base interactions energy: -111.290
where: short stacking energy: -61.057
Base-Backbone interact. energy: -0.105
local terms energy: -72.217632
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -15.409
Dist. restrs. and SS energy: 0.566 (S_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: 362
Temperature: 1.000000
Total energy: -178.845780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.845780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.897235 (E_RNA)
where:
Base-Base interactions energy: -101.248
where: short stacking energy: -60.481
Base-Backbone interact. energy: -0.081
local terms energy: -77.568499
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -18.877
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -178.572353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.572353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.047945 (E_RNA)
where:
Base-Base interactions energy: -109.749
where: short stacking energy: -58.982
Base-Backbone interact. energy: -0.255
local terms energy: -69.044824
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -14.127
Dist. restrs. and SS energy: 0.476 (S_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: 362
Temperature: 1.100000
Total energy: -149.597442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.597442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.658843 (E_RNA)
where:
Base-Base interactions energy: -80.405
where: short stacking energy: -50.338
Base-Backbone interact. energy: -0.052
local terms energy: -69.201661
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -14.263
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -13.524
Dist. restrs. and SS energy: 0.061 (S_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: 362
Temperature: 1.150000
Total energy: -164.964025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.964025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.678485 (E_RNA)
where:
Base-Base interactions energy: -93.859
where: short stacking energy: -56.110
Base-Backbone interact. energy: -0.002
local terms energy: -71.816985
where:
bonds (distance) C4'-P energy: -18.407
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -16.577
Dist. restrs. and SS energy: 0.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -140.903800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.903800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.928008 (E_RNA)
where:
Base-Base interactions energy: -75.280
where: short stacking energy: -37.365
Base-Backbone interact. energy: 0.528
local terms energy: -66.176118
where:
bonds (distance) C4'-P energy: -18.005
bonds (distance) P-C4' energy: -18.060
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -5.479
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -125.694468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.694468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.697778 (E_RNA)
where:
Base-Base interactions energy: -75.650
where: short stacking energy: -41.540
Base-Backbone interact. energy: -0.172
local terms energy: -49.875774
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -9.478
flat angles C4'-P-C4' energy: -8.134
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -7.463
Dist. restrs. and SS energy: 0.003 (S_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: 362
Temperature: 1.300000
Total energy: -138.345947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.345947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.558005 (E_RNA)
where:
Base-Base interactions energy: -77.298
where: short stacking energy: -41.666
Base-Backbone interact. energy: -0.675
local terms energy: -60.584614
where:
bonds (distance) C4'-P energy: -9.315
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -11.585
Dist. restrs. and SS energy: 0.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -114.466203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.466203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.630569 (E_RNA)
where:
Base-Base interactions energy: -67.649
where: short stacking energy: -28.099
Base-Backbone interact. energy: -0.490
local terms energy: -46.491125
where:
bonds (distance) C4'-P energy: -10.122
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -10.668
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -3.476
Dist. restrs. and SS energy: 0.164 (S_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: 363
Temperature: 0.900000
Total energy: -195.150729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.150729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.176939 (E_RNA)
where:
Base-Base interactions energy: -117.968
where: short stacking energy: -69.716
Base-Backbone interact. energy: -0.048
local terms energy: -77.161150
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -21.968
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. 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: -189.214056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.214056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.575915 (E_RNA)
where:
Base-Base interactions energy: -117.405
where: short stacking energy: -60.527
Base-Backbone interact. energy: -0.803
local terms energy: -71.368295
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -13.097
Dist. restrs. and SS energy: 0.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -177.022496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.022496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.090411 (E_RNA)
where:
Base-Base interactions energy: -112.740
where: short stacking energy: -58.593
Base-Backbone interact. energy: -0.011
local terms energy: -64.339556
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -14.316
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -13.748
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -171.085608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.085608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.105848 (E_RNA)
where:
Base-Base interactions energy: -98.864
where: short stacking energy: -55.668
Base-Backbone interact. energy: -0.020
local terms energy: -72.222577
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -12.618
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -17.721
Dist. restrs. and SS energy: 0.020 (S_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: 363
Temperature: 1.100000
Total energy: -157.202859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.202859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.298064 (E_RNA)
where:
Base-Base interactions energy: -99.103
where: short stacking energy: -53.218
Base-Backbone interact. energy: -1.117
local terms energy: -57.078446
where:
bonds (distance) C4'-P energy: -10.160
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -8.628
Dist. restrs. and SS energy: 0.095 (S_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: 363
Temperature: 1.150000
Total energy: -154.844014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.844014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.844014 (E_RNA)
where:
Base-Base interactions energy: -95.857
where: short stacking energy: -45.014
Base-Backbone interact. energy: 0.717
local terms energy: -59.703785
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -9.983
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -139.019059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.019059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.019059 (E_RNA)
where:
Base-Base interactions energy: -81.367
where: short stacking energy: -42.338
Base-Backbone interact. energy: -0.107
local terms energy: -57.544960
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -12.118
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -8.528
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -139.014760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.014760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.014760 (E_RNA)
where:
Base-Base interactions energy: -81.608
where: short stacking energy: -48.872
Base-Backbone interact. energy: -0.305
local terms energy: -57.102563
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -8.390
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -9.482
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -110.498192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.498192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.517080 (E_RNA)
where:
Base-Base interactions energy: -61.066
where: short stacking energy: -34.251
Base-Backbone interact. energy: -0.019
local terms energy: -49.431934
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -4.231
tors. eta vs tors. theta energy: -0.197
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -123.915435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.915435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.915435 (E_RNA)
where:
Base-Base interactions energy: -68.019
where: short stacking energy: -34.806
Base-Backbone interact. energy: -0.645
local terms energy: -55.251149
where:
bonds (distance) C4'-P energy: -17.331
bonds (distance) P-C4' energy: -10.434
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -6.421
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -194.748833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.748833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.015911 (E_RNA)
where:
Base-Base interactions energy: -121.012
where: short stacking energy: -72.730
Base-Backbone interact. energy: -0.052
local terms energy: -73.952032
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -20.350
Dist. restrs. and SS energy: 0.267 (S_DIST_RNA)
chem. 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: -182.499403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.499403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.955617 (E_RNA)
where:
Base-Base interactions energy: -116.708
where: short stacking energy: -55.407
Base-Backbone interact. energy: -0.641
local terms energy: -65.606185
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -17.864
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -4.256
tors. eta vs tors. theta energy: -14.245
Dist. restrs. and SS energy: 0.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -168.499977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.499977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.803357 (E_RNA)
where:
Base-Base interactions energy: -106.202
where: short stacking energy: -55.638
Base-Backbone interact. energy: -0.239
local terms energy: -62.362349
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -13.965
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -14.579
Dist. restrs. and SS energy: 0.303 (S_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: 364
Temperature: 1.050000
Total energy: -187.470195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.470195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.946929 (E_RNA)
where:
Base-Base interactions energy: -116.473
where: short stacking energy: -70.064
Base-Backbone interact. energy: 0.528
local terms energy: -72.001857
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -19.641
Dist. restrs. and SS energy: 0.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -162.247166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.247166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.339690 (E_RNA)
where:
Base-Base interactions energy: -92.646
where: short stacking energy: -43.687
Base-Backbone interact. energy: -0.188
local terms energy: -69.505679
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -13.019
Dist. restrs. and SS energy: 0.093 (S_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: 364
Temperature: 1.150000
Total energy: -144.264627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.264627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.522052 (E_RNA)
where:
Base-Base interactions energy: -81.296
where: short stacking energy: -41.976
Base-Backbone interact. energy: -0.126
local terms energy: -63.099933
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -7.360
Dist. restrs. and SS energy: 0.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -139.697335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.697335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.704888 (E_RNA)
where:
Base-Base interactions energy: -83.904
where: short stacking energy: -52.600
Base-Backbone interact. energy: -0.137
local terms energy: -55.663440
where:
bonds (distance) C4'-P energy: -8.798
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -8.933
Dist. restrs. and SS energy: 0.008 (S_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: 364
Temperature: 1.250000
Total energy: -123.346036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.346036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.346036 (E_RNA)
where:
Base-Base interactions energy: -77.016
where: short stacking energy: -46.226
Base-Backbone interact. energy: -0.377
local terms energy: -45.953021
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: 1.844
tors. eta vs tors. theta energy: -4.524
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -123.003545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.003545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.003545 (E_RNA)
where:
Base-Base interactions energy: -71.265
where: short stacking energy: -32.261
Base-Backbone interact. energy: -0.130
local terms energy: -51.608734
where:
bonds (distance) C4'-P energy: -9.028
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: -4.270
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: 7
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -134.906927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.906927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.906927 (E_RNA)
where:
Base-Base interactions energy: -78.724
where: short stacking energy: -43.077
Base-Backbone interact. energy: -0.181
local terms energy: -56.002282
where:
bonds (distance) C4'-P energy: -11.642
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -4.292
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -196.335884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.335884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.335884 (E_RNA)
where:
Base-Base interactions energy: -110.752
where: short stacking energy: -60.977
Base-Backbone interact. energy: -1.045
local terms energy: -84.539558
where:
bonds (distance) C4'-P energy: -17.753
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -18.639
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -18.838
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: 365
Temperature: 0.950000
Total energy: -179.398781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.398781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.421062 (E_RNA)
where:
Base-Base interactions energy: -103.938
where: short stacking energy: -61.435
Base-Backbone interact. energy: -0.026
local terms energy: -75.457180
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -14.090
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -14.862
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -169.141683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.141683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.185609 (E_RNA)
where:
Base-Base interactions energy: -95.065
where: short stacking energy: -61.079
Base-Backbone interact. energy: -0.225
local terms energy: -73.895130
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -13.340
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -18.068
Dist. restrs. and SS energy: 0.044 (S_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: 365
Temperature: 1.050000
Total energy: -174.709792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.709792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.711686 (E_RNA)
where:
Base-Base interactions energy: -103.703
where: short stacking energy: -61.912
Base-Backbone interact. energy: -0.032
local terms energy: -70.977507
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -16.312
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -164.312264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.312264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.312264 (E_RNA)
where:
Base-Base interactions energy: -98.518
where: short stacking energy: -60.578
Base-Backbone interact. energy: -0.119
local terms energy: -65.675212
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -10.780
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -17.862
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -159.473846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.473846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.486911 (E_RNA)
where:
Base-Base interactions energy: -98.751
where: short stacking energy: -52.788
Base-Backbone interact. energy: 0.972
local terms energy: -61.708157
where:
bonds (distance) C4'-P energy: -13.807
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -11.242
Dist. restrs. and SS energy: 0.013 (S_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: 365
Temperature: 1.200000
Total energy: -130.627943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.627943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.627943 (E_RNA)
where:
Base-Base interactions energy: -77.423
where: short stacking energy: -31.504
Base-Backbone interact. energy: -0.170
local terms energy: -53.034322
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: -4.463
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -142.340244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.340244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.914193 (E_RNA)
where:
Base-Base interactions energy: -82.424
where: short stacking energy: -44.707
Base-Backbone interact. energy: -0.095
local terms energy: -60.395268
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -9.464
Dist. restrs. and SS energy: 0.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -130.447793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.447793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.447793 (E_RNA)
where:
Base-Base interactions energy: -77.619
where: short stacking energy: -40.916
Base-Backbone interact. energy: -0.209
local terms energy: -52.619539
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -1.721
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -116.933336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.933336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.996054 (E_RNA)
where:
Base-Base interactions energy: -73.975
where: short stacking energy: -38.575
Base-Backbone interact. energy: -0.627
local terms energy: -42.394034
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -9.861
flat angles C4'-P-C4' energy: -4.963
flat angles P-C4'-P energy: -6.650
tors. eta vs tors. theta energy: -7.840
Dist. restrs. and SS energy: 0.063 (S_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: 366
Temperature: 0.900000
Total energy: -202.971774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.971774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.992015 (E_RNA)
where:
Base-Base interactions energy: -119.639
where: short stacking energy: -66.369
Base-Backbone interact. energy: -0.795
local terms energy: -82.558247
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -19.370
flat angles C4'-P-C4' energy: -17.517
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -20.866
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. 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: -191.852579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.852579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.933000 (E_RNA)
where:
Base-Base interactions energy: -118.509
where: short stacking energy: -68.033
Base-Backbone interact. energy: -0.151
local terms energy: -73.272691
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -17.469
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -179.223759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.223759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.651085 (E_RNA)
where:
Base-Base interactions energy: -110.653
where: short stacking energy: -63.775
Base-Backbone interact. energy: -0.033
local terms energy: -68.964487
where:
bonds (distance) C4'-P energy: -17.306
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -10.366
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -13.085
Dist. restrs. and SS energy: 0.427 (S_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: 366
Temperature: 1.050000
Total energy: -178.656359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.656359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.656359 (E_RNA)
where:
Base-Base interactions energy: -107.953
where: short stacking energy: -59.202
Base-Backbone interact. energy: -0.184
local terms energy: -70.519933
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -14.456
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -17.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -147.330808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.330808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.047620 (E_RNA)
where:
Base-Base interactions energy: -92.392
where: short stacking energy: -46.792
Base-Backbone interact. energy: -0.571
local terms energy: -55.084500
where:
bonds (distance) C4'-P energy: -10.726
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -8.066
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -8.875
Dist. restrs. and SS energy: 0.717 (S_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: 366
Temperature: 1.150000
Total energy: -146.198495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.198495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.225040 (E_RNA)
where:
Base-Base interactions energy: -88.546
where: short stacking energy: -48.749
Base-Backbone interact. energy: 0.110
local terms energy: -57.788348
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -10.312
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -9.783
Dist. restrs. and SS energy: 0.027 (S_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: 366
Temperature: 1.200000
Total energy: -136.379644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.379644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.388073 (E_RNA)
where:
Base-Base interactions energy: -73.531
where: short stacking energy: -44.517
Base-Backbone interact. energy: -0.029
local terms energy: -62.828809
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -16.453
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -7.623
Dist. restrs. and SS energy: 0.008 (S_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: 366
Temperature: 1.250000
Total energy: -136.038657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.038657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.087941 (E_RNA)
where:
Base-Base interactions energy: -76.074
where: short stacking energy: -41.679
Base-Backbone interact. energy: -0.169
local terms energy: -59.844955
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -6.516
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -116.369907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.369907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.369907 (E_RNA)
where:
Base-Base interactions energy: -52.634
where: short stacking energy: -29.275
Base-Backbone interact. energy: -0.047
local terms energy: -63.688517
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -3.143
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: 10, replica: 1
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -125.571234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.571234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.571234 (E_RNA)
where:
Base-Base interactions energy: -65.692
where: short stacking energy: -35.986
Base-Backbone interact. energy: -0.045
local terms energy: -59.834535
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -3.496
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -207.164286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.164286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.229152 (E_RNA)
where:
Base-Base interactions energy: -121.650
where: short stacking energy: -74.359
Base-Backbone interact. energy: -0.005
local terms energy: -85.574547
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -19.296
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -14.469
tors. eta vs tors. theta energy: -21.301
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. 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: -183.250804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.250804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.505129 (E_RNA)
where:
Base-Base interactions energy: -109.844
where: short stacking energy: -54.307
Base-Backbone interact. energy: -0.542
local terms energy: -73.119015
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -14.969
tors. eta vs tors. theta energy: -14.880
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -178.635624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.635624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.635624 (E_RNA)
where:
Base-Base interactions energy: -107.819
where: short stacking energy: -62.163
Base-Backbone interact. energy: -0.139
local terms energy: -70.677301
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -13.890
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -164.765401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.765401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.974307 (E_RNA)
where:
Base-Base interactions energy: -104.085
where: short stacking energy: -57.748
Base-Backbone interact. energy: -0.178
local terms energy: -60.711020
where:
bonds (distance) C4'-P energy: -10.587
bonds (distance) P-C4' energy: -18.037
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -1.474
tors. eta vs tors. theta energy: -13.621
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -159.864855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.864855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.118835 (E_RNA)
where:
Base-Base interactions energy: -93.689
where: short stacking energy: -46.884
Base-Backbone interact. energy: -0.111
local terms energy: -66.319447
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -11.792
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -138.598193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.598193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.598193 (E_RNA)
where:
Base-Base interactions energy: -75.326
where: short stacking energy: -38.798
Base-Backbone interact. energy: -0.292
local terms energy: -62.979718
where:
bonds (distance) C4'-P energy: -17.371
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -4.066
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -159.734102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.734102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.849742 (E_RNA)
where:
Base-Base interactions energy: -90.659
where: short stacking energy: -45.817
Base-Backbone interact. energy: -0.107
local terms energy: -69.083878
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -12.744
Dist. restrs. and SS energy: 0.116 (S_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: 367
Temperature: 1.250000
Total energy: -134.184276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.184276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.208592 (E_RNA)
where:
Base-Base interactions energy: -80.614
where: short stacking energy: -42.916
Base-Backbone interact. energy: -0.050
local terms energy: -53.544867
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -6.440
tors. eta vs tors. theta energy: -5.811
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -120.572882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.572882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.574899 (E_RNA)
where:
Base-Base interactions energy: -70.235
where: short stacking energy: -36.369
Base-Backbone interact. energy: 1.375
local terms energy: -51.715219
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -9.121
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -6.409
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -118.169510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.169510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.281767 (E_RNA)
where:
Base-Base interactions energy: -66.144
where: short stacking energy: -37.526
Base-Backbone interact. energy: -0.227
local terms energy: -51.911286
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -1.020
Dist. restrs. and SS energy: 0.112 (S_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: 368
Temperature: 0.900000
Total energy: -183.472571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.472571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.727429 (E_RNA)
where:
Base-Base interactions energy: -112.329
where: short stacking energy: -56.247
Base-Backbone interact. energy: -0.245
local terms energy: -71.153486
where:
bonds (distance) C4'-P energy: -17.699
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -14.052
Dist. restrs. and SS energy: 0.255 (S_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: 368
Temperature: 0.950000
Total energy: -194.956324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.956324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.956970 (E_RNA)
where:
Base-Base interactions energy: -118.305
where: short stacking energy: -70.484
Base-Backbone interact. energy: -0.004
local terms energy: -76.647862
where:
bonds (distance) C4'-P energy: -16.171
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -20.960
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -176.034466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.034466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.117857 (E_RNA)
where:
Base-Base interactions energy: -100.609
where: short stacking energy: -53.785
Base-Backbone interact. energy: -0.150
local terms energy: -75.359369
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -18.141
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -15.167
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -168.769651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.769651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.769651 (E_RNA)
where:
Base-Base interactions energy: -98.742
where: short stacking energy: -49.474
Base-Backbone interact. energy: -0.093
local terms energy: -69.934365
where:
bonds (distance) C4'-P energy: -13.149
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -10.459
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -171.724011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.724011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.143929 (E_RNA)
where:
Base-Base interactions energy: -109.324
where: short stacking energy: -50.228
Base-Backbone interact. energy: -0.012
local terms energy: -62.807665
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -4.130
tors. eta vs tors. theta energy: -13.127
Dist. restrs. and SS energy: 0.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -149.405132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.405132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.455805 (E_RNA)
where:
Base-Base interactions energy: -84.333
where: short stacking energy: -46.553
Base-Backbone interact. energy: -0.012
local terms energy: -65.110145
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -12.091
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -157.034672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.034672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.505148 (E_RNA)
where:
Base-Base interactions energy: -90.996
where: short stacking energy: -50.119
Base-Backbone interact. energy: -0.041
local terms energy: -66.468020
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -12.130
Dist. restrs. and SS energy: 0.470 (S_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: 368
Temperature: 1.250000
Total energy: -143.101156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.101156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.101156 (E_RNA)
where:
Base-Base interactions energy: -88.622
where: short stacking energy: -36.040
Base-Backbone interact. energy: -0.602
local terms energy: -53.876580
where:
bonds (distance) C4'-P energy: -9.396
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -7.926
tors. eta vs tors. theta energy: -9.388
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -119.915325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.915325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.915325 (E_RNA)
where:
Base-Base interactions energy: -70.639
where: short stacking energy: -39.706
Base-Backbone interact. energy: -0.046
local terms energy: -49.229617
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -9.968
flat angles P-C4'-P energy: -2.722
tors. eta vs tors. theta energy: -5.266
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: 7
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -115.411238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.411238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.415476 (E_RNA)
where:
Base-Base interactions energy: -59.549
where: short stacking energy: -25.517
Base-Backbone interact. energy: -0.217
local terms energy: -55.649622
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: 3.502
Dist. restrs. and SS energy: 0.004 (S_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: 369
Temperature: 0.900000
Total energy: -197.127907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.127907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.352532 (E_RNA)
where:
Base-Base interactions energy: -116.103
where: short stacking energy: -65.220
Base-Backbone interact. energy: -0.858
local terms energy: -80.391728
where:
bonds (distance) C4'-P energy: -17.310
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -18.377
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -17.659
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -183.303984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.303984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.303984 (E_RNA)
where:
Base-Base interactions energy: -116.397
where: short stacking energy: -64.443
Base-Backbone interact. energy: -0.118
local terms energy: -66.789299
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -12.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -177.591793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.591793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.591793 (E_RNA)
where:
Base-Base interactions energy: -101.641
where: short stacking energy: -56.980
Base-Backbone interact. energy: -1.105
local terms energy: -74.845634
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -15.918
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -169.024514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.024514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.239167 (E_RNA)
where:
Base-Base interactions energy: -100.910
where: short stacking energy: -46.389
Base-Backbone interact. energy: -0.024
local terms energy: -68.304848
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -13.525
Dist. restrs. and SS energy: 0.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -157.140282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.140282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.193833 (E_RNA)
where:
Base-Base interactions energy: -89.094
where: short stacking energy: -55.238
Base-Backbone interact. energy: -0.632
local terms energy: -67.467824
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: -14.850
Dist. restrs. and SS energy: 0.054 (S_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: 369
Temperature: 1.150000
Total energy: -143.498363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.498363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.498363 (E_RNA)
where:
Base-Base interactions energy: -78.181
where: short stacking energy: -43.360
Base-Backbone interact. energy: -0.026
local terms energy: -65.291384
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -9.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -138.495389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.495389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.500788 (E_RNA)
where:
Base-Base interactions energy: -78.462
where: short stacking energy: -43.011
Base-Backbone interact. energy: -0.038
local terms energy: -60.000515
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -10.930
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -11.121
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -118.972244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.972244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.043839 (E_RNA)
where:
Base-Base interactions energy: -65.624
where: short stacking energy: -34.994
Base-Backbone interact. energy: -0.108
local terms energy: -53.311152
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -4.788
tors. eta vs tors. theta energy: -3.263
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -130.774667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.774667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.774667 (E_RNA)
where:
Base-Base interactions energy: -70.358
where: short stacking energy: -29.971
Base-Backbone interact. energy: -0.061
local terms energy: -60.356280
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -11.343
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -5.125
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -119.178151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.178151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.178151 (E_RNA)
where:
Base-Base interactions energy: -72.601
where: short stacking energy: -34.597
Base-Backbone interact. energy: -0.089
local terms energy: -46.488069
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -10.173
flat angles P-C4'-P energy: -6.709
tors. eta vs tors. theta energy: -3.045
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -209.435056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.435056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.772187 (E_RNA)
where:
Base-Base interactions energy: -127.434
where: short stacking energy: -70.105
Base-Backbone interact. energy: -0.287
local terms energy: -82.051314
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -19.331
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -13.449
tors. eta vs tors. theta energy: -18.951
Dist. restrs. and SS energy: 0.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -181.470710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.470710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.683116 (E_RNA)
where:
Base-Base interactions energy: -107.981
where: short stacking energy: -62.186
Base-Backbone interact. energy: -0.117
local terms energy: -73.585435
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -16.453
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -15.051
Dist. restrs. and SS energy: 0.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -197.704474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.704474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.834626 (E_RNA)
where:
Base-Base interactions energy: -114.370
where: short stacking energy: -66.234
Base-Backbone interact. energy: -0.258
local terms energy: -83.206697
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: -21.562
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. 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: -170.943216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.943216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.958542 (E_RNA)
where:
Base-Base interactions energy: -105.710
where: short stacking energy: -58.262
Base-Backbone interact. energy: -0.007
local terms energy: -65.241641
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -12.896
Dist. restrs. and SS energy: 0.015 (S_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: 370
Temperature: 1.100000
Total energy: -166.251156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.251156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.319291 (E_RNA)
where:
Base-Base interactions energy: -102.863
where: short stacking energy: -50.703
Base-Backbone interact. energy: 0.700
local terms energy: -64.156351
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -12.956
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -6.823
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -132.235830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.235830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.303417 (E_RNA)
where:
Base-Base interactions energy: -74.366
where: short stacking energy: -45.325
Base-Backbone interact. energy: -0.012
local terms energy: -57.925274
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -9.952
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -6.370
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -131.442467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.442467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.442467 (E_RNA)
where:
Base-Base interactions energy: -77.615
where: short stacking energy: -44.365
Base-Backbone interact. energy: -0.175
local terms energy: -53.652360
where:
bonds (distance) C4'-P energy: -16.514
bonds (distance) P-C4' energy: -12.664
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -3.791
tors. eta vs tors. theta energy: -5.825
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: 4
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -151.633423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.633423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.743250 (E_RNA)
where:
Base-Base interactions energy: -93.546
where: short stacking energy: -45.818
Base-Backbone interact. energy: -0.094
local terms energy: -58.103456
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -13.456
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -9.177
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -131.445716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.445716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.453268 (E_RNA)
where:
Base-Base interactions energy: -75.957
where: short stacking energy: -39.055
Base-Backbone interact. energy: -0.015
local terms energy: -55.481232
where:
bonds (distance) C4'-P energy: -7.985
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -6.915
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -119.279251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.279251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.279251 (E_RNA)
where:
Base-Base interactions energy: -70.634
where: short stacking energy: -36.020
Base-Backbone interact. energy: -0.247
local terms energy: -48.398832
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -10.103
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: 1.143
tors. eta vs tors. theta energy: -14.056
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -196.897640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.897640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.917716 (E_RNA)
where:
Base-Base interactions energy: -120.651
where: short stacking energy: -67.615
Base-Backbone interact. energy: -0.610
local terms energy: -75.657031
where:
bonds (distance) C4'-P energy: -17.749
bonds (distance) P-C4' energy: -13.137
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -19.065
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -181.998373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.998373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.027426 (E_RNA)
where:
Base-Base interactions energy: -108.855
where: short stacking energy: -59.973
Base-Backbone interact. energy: -0.098
local terms energy: -73.074435
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -5.937
tors. eta vs tors. theta energy: -18.445
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -170.432391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.432391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.444301 (E_RNA)
where:
Base-Base interactions energy: -101.865
where: short stacking energy: -64.893
Base-Backbone interact. energy: 1.199
local terms energy: -69.777985
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -8.916
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -173.695932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.695932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.874733 (E_RNA)
where:
Base-Base interactions energy: -103.920
where: short stacking energy: -51.731
Base-Backbone interact. energy: -1.375
local terms energy: -68.580259
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -12.521
Dist. restrs. and SS energy: 0.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -165.705346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.705346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.023410 (E_RNA)
where:
Base-Base interactions energy: -102.570
where: short stacking energy: -47.537
Base-Backbone interact. energy: -0.112
local terms energy: -63.341689
where:
bonds (distance) C4'-P energy: -15.781
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -9.652
Dist. restrs. and SS energy: 0.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -141.900568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.900568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.900568 (E_RNA)
where:
Base-Base interactions energy: -84.721
where: short stacking energy: -39.424
Base-Backbone interact. energy: -0.248
local terms energy: -56.931590
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -4.726
tors. eta vs tors. theta energy: -3.801
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -143.050398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.050398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.161073 (E_RNA)
where:
Base-Base interactions energy: -88.151
where: short stacking energy: -41.487
Base-Backbone interact. energy: -0.021
local terms energy: -54.988799
where:
bonds (distance) C4'-P energy: -16.361
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -4.831
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.111 (S_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: 371
Temperature: 1.250000
Total energy: -139.174590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.174590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.174590 (E_RNA)
where:
Base-Base interactions energy: -83.999
where: short stacking energy: -40.271
Base-Backbone interact. energy: -0.331
local terms energy: -54.844473
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -9.751
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -7.743
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -130.925273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.925273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.925273 (E_RNA)
where:
Base-Base interactions energy: -79.863
where: short stacking energy: -35.841
Base-Backbone interact. energy: -0.018
local terms energy: -51.044259
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -10.161
flat angles C4'-P-C4' energy: -10.342
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -5.633
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -122.947740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.947740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.956563 (E_RNA)
where:
Base-Base interactions energy: -77.844
where: short stacking energy: -34.066
Base-Backbone interact. energy: -0.099
local terms energy: -45.013934
where:
bonds (distance) C4'-P energy: -4.686
bonds (distance) P-C4' energy: -12.605
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -6.424
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -198.340779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.340779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.564273 (E_RNA)
where:
Base-Base interactions energy: -115.118
where: short stacking energy: -55.608
Base-Backbone interact. energy: -0.180
local terms energy: -83.265860
where:
bonds (distance) C4'-P energy: -17.790
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -20.911
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. 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: -194.946165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.946165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.054906 (E_RNA)
where:
Base-Base interactions energy: -120.220
where: short stacking energy: -61.808
Base-Backbone interact. energy: 1.031
local terms energy: -75.865651
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -13.785
tors. eta vs tors. theta energy: -14.199
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. 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: -179.496169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.496169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.496169 (E_RNA)
where:
Base-Base interactions energy: -102.109
where: short stacking energy: -60.576
Base-Backbone interact. energy: -0.151
local terms energy: -77.236029
where:
bonds (distance) C4'-P energy: -17.667
bonds (distance) P-C4' energy: -17.256
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -14.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -180.386317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.386317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.386317 (E_RNA)
where:
Base-Base interactions energy: -114.440
where: short stacking energy: -58.408
Base-Backbone interact. energy: -0.161
local terms energy: -65.785770
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -16.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -156.163306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.163306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.364247 (E_RNA)
where:
Base-Base interactions energy: -91.866
where: short stacking energy: -52.404
Base-Backbone interact. energy: -1.039
local terms energy: -63.459222
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -7.928
Dist. restrs. and SS energy: 0.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -148.936206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.936206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.936206 (E_RNA)
where:
Base-Base interactions energy: -87.193
where: short stacking energy: -48.343
Base-Backbone interact. energy: -0.228
local terms energy: -61.514748
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -10.299
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -152.766643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.766643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.766643 (E_RNA)
where:
Base-Base interactions energy: -88.754
where: short stacking energy: -44.698
Base-Backbone interact. energy: -0.033
local terms energy: -63.979697
where:
bonds (distance) C4'-P energy: -18.440
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -5.115
tors. eta vs tors. theta energy: -14.223
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -141.994946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.994946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.267106 (E_RNA)
where:
Base-Base interactions energy: -88.586
where: short stacking energy: -40.067
Base-Backbone interact. energy: -0.918
local terms energy: -52.763011
where:
bonds (distance) C4'-P energy: -17.525
bonds (distance) P-C4' energy: -8.896
flat angles C4'-P-C4' energy: -9.818
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -8.611
Dist. restrs. and SS energy: 0.272 (S_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: 372
Temperature: 1.300000
Total energy: -128.676304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.676304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.676304 (E_RNA)
where:
Base-Base interactions energy: -78.543
where: short stacking energy: -43.881
Base-Backbone interact. energy: 1.117
local terms energy: -51.250153
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -12.069
flat angles C4'-P-C4' energy: -9.770
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -6.746
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -111.841329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.841329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.923036 (E_RNA)
where:
Base-Base interactions energy: -64.760
where: short stacking energy: -36.417
Base-Backbone interact. energy: -0.088
local terms energy: -47.075439
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -10.362
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -4.109
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -210.290159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.290159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.303336 (E_RNA)
where:
Base-Base interactions energy: -133.487
where: short stacking energy: -70.466
Base-Backbone interact. energy: -0.130
local terms energy: -76.685587
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -19.201
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. 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: -183.428411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.428411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.606243 (E_RNA)
where:
Base-Base interactions energy: -111.917
where: short stacking energy: -56.610
Base-Backbone interact. energy: -0.277
local terms energy: -71.411370
where:
bonds (distance) C4'-P energy: -17.724
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -11.121
Dist. restrs. and SS energy: 0.178 (S_DIST_RNA)
chem. 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: -186.155736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.155736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.197018 (E_RNA)
where:
Base-Base interactions energy: -108.850
where: short stacking energy: -66.024
Base-Backbone interact. energy: -0.014
local terms energy: -77.333248
where:
bonds (distance) C4'-P energy: -10.378
bonds (distance) P-C4' energy: -18.362
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -17.817
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -166.187578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.187578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.464612 (E_RNA)
where:
Base-Base interactions energy: -98.260
where: short stacking energy: -59.624
Base-Backbone interact. energy: -0.116
local terms energy: -68.088448
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -12.522
Dist. restrs. and SS energy: 0.277 (S_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: 373
Temperature: 1.100000
Total energy: -178.672707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.672707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.711039 (E_RNA)
where:
Base-Base interactions energy: -103.609
where: short stacking energy: -67.011
Base-Backbone interact. energy: -0.001
local terms energy: -75.100717
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -17.638
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -145.492258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.492258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.621325 (E_RNA)
where:
Base-Base interactions energy: -81.910
where: short stacking energy: -52.486
Base-Backbone interact. energy: -0.062
local terms energy: -63.649658
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -13.604
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -8.188
Dist. restrs. and SS energy: 0.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -147.871912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.871912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.920433 (E_RNA)
where:
Base-Base interactions energy: -87.275
where: short stacking energy: -43.668
Base-Backbone interact. energy: 0.094
local terms energy: -60.739406
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -10.079
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -9.949
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -137.237062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.237062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.261877 (E_RNA)
where:
Base-Base interactions energy: -77.245
where: short stacking energy: -46.387
Base-Backbone interact. energy: 0.127
local terms energy: -60.143833
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -4.713
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -124.386628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.386628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.386628 (E_RNA)
where:
Base-Base interactions energy: -73.366
where: short stacking energy: -35.212
Base-Backbone interact. energy: -0.095
local terms energy: -50.925503
where:
bonds (distance) C4'-P energy: -17.509
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -3.215
tors. eta vs tors. theta energy: -3.795
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -116.623551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.623551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.623551 (E_RNA)
where:
Base-Base interactions energy: -68.851
where: short stacking energy: -35.554
Base-Backbone interact. energy: -0.177
local terms energy: -47.595794
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -14.027
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -2.330
tors. eta vs tors. theta energy: -5.158
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -206.821528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.821528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.821528 (E_RNA)
where:
Base-Base interactions energy: -126.014
where: short stacking energy: -69.088
Base-Backbone interact. energy: -0.077
local terms energy: -80.730292
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -18.374
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -19.633
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -182.743696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.743696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.743696 (E_RNA)
where:
Base-Base interactions energy: -104.668
where: short stacking energy: -60.990
Base-Backbone interact. energy: -0.233
local terms energy: -77.842645
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -16.765
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: 1
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -173.442644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.442644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.524000 (E_RNA)
where:
Base-Base interactions energy: -106.337
where: short stacking energy: -52.698
Base-Backbone interact. energy: -0.080
local terms energy: -67.107247
where:
bonds (distance) C4'-P energy: -9.582
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -13.426
tors. eta vs tors. theta energy: -15.408
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -171.114623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.114623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.366592 (E_RNA)
where:
Base-Base interactions energy: -107.155
where: short stacking energy: -60.509
Base-Backbone interact. energy: -0.030
local terms energy: -64.181576
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -13.311
Dist. restrs. and SS energy: 0.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -156.047892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.047892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.107133 (E_RNA)
where:
Base-Base interactions energy: -83.822
where: short stacking energy: -38.705
Base-Backbone interact. energy: -0.094
local terms energy: -72.191395
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -10.707
Dist. restrs. and SS energy: 0.059 (S_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: 374
Temperature: 1.150000
Total energy: -153.385258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.385258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.392237 (E_RNA)
where:
Base-Base interactions energy: -86.413
where: short stacking energy: -46.867
Base-Backbone interact. energy: -0.084
local terms energy: -66.895717
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -12.573
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -143.902342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.902342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.902342 (E_RNA)
where:
Base-Base interactions energy: -80.615
where: short stacking energy: -46.525
Base-Backbone interact. energy: -0.170
local terms energy: -63.117081
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -10.496
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -9.840
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: 8, replica: 4
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -143.687034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.687034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.429928 (E_RNA)
where:
Base-Base interactions energy: -84.283
where: short stacking energy: -36.677
Base-Backbone interact. energy: 1.780
local terms energy: -61.926477
where:
bonds (distance) C4'-P energy: -14.552
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: -6.753
Dist. restrs. and SS energy: 0.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -133.094249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.094249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.186370 (E_RNA)
where:
Base-Base interactions energy: -75.621
where: short stacking energy: -34.830
Base-Backbone interact. energy: -0.336
local terms energy: -57.229037
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -18.650
flat angles C4'-P-C4' energy: -9.829
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -4.439
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -111.126209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.126209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.167547 (E_RNA)
where:
Base-Base interactions energy: -54.182
where: short stacking energy: -30.336
Base-Backbone interact. energy: -0.110
local terms energy: -56.875203
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -5.483
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -200.940357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.940357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.944440 (E_RNA)
where:
Base-Base interactions energy: -125.241
where: short stacking energy: -65.500
Base-Backbone interact. energy: -0.029
local terms energy: -75.674329
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -18.086
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. 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: -192.936582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.936582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.042058 (E_RNA)
where:
Base-Base interactions energy: -114.640
where: short stacking energy: -66.055
Base-Backbone interact. energy: -0.024
local terms energy: -78.378170
where:
bonds (distance) C4'-P energy: -15.132
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -13.591
tors. eta vs tors. theta energy: -17.161
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -158.745879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.745879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.878189 (E_RNA)
where:
Base-Base interactions energy: -87.048
where: short stacking energy: -52.893
Base-Backbone interact. energy: -0.779
local terms energy: -71.051278
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -14.395
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -176.820708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.820708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.272416 (E_RNA)
where:
Base-Base interactions energy: -104.354
where: short stacking energy: -59.086
Base-Backbone interact. energy: -0.101
local terms energy: -72.818050
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -19.165
Dist. restrs. and SS energy: 0.452 (S_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: 375
Temperature: 1.100000
Total energy: -170.836328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.836328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.851795 (E_RNA)
where:
Base-Base interactions energy: -105.880
where: short stacking energy: -56.363
Base-Backbone interact. energy: -0.812
local terms energy: -64.159374
where:
bonds (distance) C4'-P energy: -9.763
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -11.278
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -13.331
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -152.057694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.057694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.515351 (E_RNA)
where:
Base-Base interactions energy: -85.824
where: short stacking energy: -46.187
Base-Backbone interact. energy: -0.109
local terms energy: -66.582654
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -10.535
Dist. restrs. and SS energy: 0.458 (S_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: 375
Temperature: 1.200000
Total energy: -131.478929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.478929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.478929 (E_RNA)
where:
Base-Base interactions energy: -68.262
where: short stacking energy: -40.916
Base-Backbone interact. energy: -0.204
local terms energy: -63.012746
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -10.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -150.958115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.958115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.969968 (E_RNA)
where:
Base-Base interactions energy: -91.434
where: short stacking energy: -55.251
Base-Backbone interact. energy: -0.003
local terms energy: -59.533302
where:
bonds (distance) C4'-P energy: -12.378
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -2.619
tors. eta vs tors. theta energy: -12.615
Dist. restrs. and SS energy: 0.012 (S_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: 375
Temperature: 1.300000
Total energy: -125.643029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.643029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.154203 (E_RNA)
where:
Base-Base interactions energy: -73.046
where: short stacking energy: -30.678
Base-Backbone interact. energy: -0.410
local terms energy: -52.698206
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -9.416
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -3.106
Dist. restrs. and SS energy: 0.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -122.380045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.380045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.380045 (E_RNA)
where:
Base-Base interactions energy: -73.199
where: short stacking energy: -33.111
Base-Backbone interact. energy: -0.351
local terms energy: -48.829964
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -10.133
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -3.154
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: 10
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -200.234995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.234995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.463397 (E_RNA)
where:
Base-Base interactions energy: -120.119
where: short stacking energy: -71.261
Base-Backbone interact. energy: -0.001
local terms energy: -80.343244
where:
bonds (distance) C4'-P energy: -14.432
bonds (distance) P-C4' energy: -16.941
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -13.695
tors. eta vs tors. theta energy: -17.531
Dist. restrs. and SS energy: 0.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -195.877201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.877201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.877201 (E_RNA)
where:
Base-Base interactions energy: -114.211
where: short stacking energy: -67.836
Base-Backbone interact. energy: -0.016
local terms energy: -81.650210
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -18.316
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -21.800
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -183.711087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.711087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.627145 (E_RNA)
where:
Base-Base interactions energy: -115.376
where: short stacking energy: -68.268
Base-Backbone interact. energy: 1.334
local terms energy: -70.584801
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -16.920
Dist. restrs. and SS energy: 0.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -146.358804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.358804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.358804 (E_RNA)
where:
Base-Base interactions energy: -78.842
where: short stacking energy: -44.344
Base-Backbone interact. energy: -0.443
local terms energy: -67.073472
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -10.878
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: 376
Temperature: 1.100000
Total energy: -178.936487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.936487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.324312 (E_RNA)
where:
Base-Base interactions energy: -101.544
where: short stacking energy: -58.586
Base-Backbone interact. energy: -0.183
local terms energy: -77.596950
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -19.374
Dist. restrs. and SS energy: 0.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -143.805070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.805070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.807855 (E_RNA)
where:
Base-Base interactions energy: -81.342
where: short stacking energy: -39.607
Base-Backbone interact. energy: -0.340
local terms energy: -62.125933
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -10.003
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -149.134596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.134596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.158078 (E_RNA)
where:
Base-Base interactions energy: -86.558
where: short stacking energy: -51.614
Base-Backbone interact. energy: -0.514
local terms energy: -62.086048
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -3.624
tors. eta vs tors. theta energy: -15.752
Dist. restrs. and SS energy: 0.023 (S_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: 376
Temperature: 1.250000
Total energy: -127.494284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.494284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.516191 (E_RNA)
where:
Base-Base interactions energy: -73.961
where: short stacking energy: -43.739
Base-Backbone interact. energy: -0.486
local terms energy: -53.068333
where:
bonds (distance) C4'-P energy: -9.887
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -3.251
Dist. restrs. and SS energy: 0.022 (S_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: -132.170111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.170111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.600758 (E_RNA)
where:
Base-Base interactions energy: -78.574
where: short stacking energy: -35.449
Base-Backbone interact. energy: -0.118
local terms energy: -53.908921
where:
bonds (distance) C4'-P energy: -14.270
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -10.778
flat angles P-C4'-P energy: -3.451
tors. eta vs tors. theta energy: -7.031
Dist. restrs. and SS energy: 0.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -137.497439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.497439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.497439 (E_RNA)
where:
Base-Base interactions energy: -81.960
where: short stacking energy: -50.275
Base-Backbone interact. energy: -0.127
local terms energy: -55.410781
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -7.042
tors. eta vs tors. theta energy: -9.094
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -196.609083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.609083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.919337 (E_RNA)
where:
Base-Base interactions energy: -124.661
where: short stacking energy: -71.790
Base-Backbone interact. energy: 0.378
local terms energy: -72.636561
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -17.731
Dist. restrs. and SS energy: 0.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -187.555591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.555591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.582842 (E_RNA)
where:
Base-Base interactions energy: -112.189
where: short stacking energy: -63.786
Base-Backbone interact. energy: -0.003
local terms energy: -75.390889
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -15.881
Dist. restrs. and SS energy: 0.027 (S_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: 377
Temperature: 1.000000
Total energy: -182.269838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.269838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.714377 (E_RNA)
where:
Base-Base interactions energy: -105.470
where: short stacking energy: -59.197
Base-Backbone interact. energy: -0.056
local terms energy: -77.188387
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -18.077
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -15.135
Dist. restrs. and SS energy: 0.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -178.540234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.540234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.540234 (E_RNA)
where:
Base-Base interactions energy: -108.457
where: short stacking energy: -68.186
Base-Backbone interact. energy: -0.002
local terms energy: -70.080702
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -14.928
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -19.587
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: 377
Temperature: 1.100000
Total energy: -151.478865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.478865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.498538 (E_RNA)
where:
Base-Base interactions energy: -88.865
where: short stacking energy: -48.059
Base-Backbone interact. energy: -0.329
local terms energy: -62.304537
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -15.109
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -10.491
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -154.121478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.121478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.481319 (E_RNA)
where:
Base-Base interactions energy: -84.518
where: short stacking energy: -46.612
Base-Backbone interact. energy: -0.007
local terms energy: -69.955709
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -15.125
Dist. restrs. and SS energy: 0.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -154.972620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.972620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.318268 (E_RNA)
where:
Base-Base interactions energy: -98.375
where: short stacking energy: -54.542
Base-Backbone interact. energy: -0.085
local terms energy: -56.858077
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -9.682
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -10.921
Dist. restrs. and SS energy: 0.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -133.325651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.325651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.383231 (E_RNA)
where:
Base-Base interactions energy: -78.666
where: short stacking energy: -46.365
Base-Backbone interact. energy: -0.467
local terms energy: -54.250344
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -8.829
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -4.583
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -119.167761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.167761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.184365 (E_RNA)
where:
Base-Base interactions energy: -65.575
where: short stacking energy: -29.809
Base-Backbone interact. energy: -0.015
local terms energy: -53.594487
where:
bonds (distance) C4'-P energy: -17.029
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -2.868
tors. eta vs tors. theta energy: -3.215
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -134.825060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.825060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.248334 (E_RNA)
where:
Base-Base interactions energy: -89.484
where: short stacking energy: -49.020
Base-Backbone interact. energy: 1.048
local terms energy: -46.811910
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -6.996
flat angles P-C4'-P energy: -5.775
tors. eta vs tors. theta energy: -6.370
Dist. restrs. and SS energy: 0.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -193.723955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.723955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.909202 (E_RNA)
where:
Base-Base interactions energy: -117.486
where: short stacking energy: -63.357
Base-Backbone interact. energy: -0.245
local terms energy: -76.178577
where:
bonds (distance) C4'-P energy: -18.158
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -18.571
Dist. restrs. and SS energy: 0.185 (S_DIST_RNA)
chem. 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: -194.085658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.085658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.353142 (E_RNA)
where:
Base-Base interactions energy: -119.174
where: short stacking energy: -68.630
Base-Backbone interact. energy: -0.132
local terms energy: -75.047423
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -17.761
Dist. restrs. and SS energy: 0.267 (S_DIST_RNA)
chem. 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: -172.895794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.895794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.960841 (E_RNA)
where:
Base-Base interactions energy: -102.770
where: short stacking energy: -52.774
Base-Backbone interact. energy: 0.013
local terms energy: -70.203685
where:
bonds (distance) C4'-P energy: -16.408
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -10.674
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -172.779998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.779998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.168225 (E_RNA)
where:
Base-Base interactions energy: -101.983
where: short stacking energy: -51.636
Base-Backbone interact. energy: -0.286
local terms energy: -70.898866
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -15.257
Dist. restrs. and SS energy: 0.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -166.651328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.651328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.651328 (E_RNA)
where:
Base-Base interactions energy: -96.211
where: short stacking energy: -51.990
Base-Backbone interact. energy: -0.125
local terms energy: -70.315164
where:
bonds (distance) C4'-P energy: -17.132
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -11.316
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -149.174744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.174744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.241845 (E_RNA)
where:
Base-Base interactions energy: -87.168
where: short stacking energy: -43.877
Base-Backbone interact. energy: -0.143
local terms energy: -61.931602
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -11.472
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -131.891637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.891637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.971752 (E_RNA)
where:
Base-Base interactions energy: -81.664
where: short stacking energy: -39.924
Base-Backbone interact. energy: 1.694
local terms energy: -52.001194
where:
bonds (distance) C4'-P energy: -9.411
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -5.153
Dist. restrs. and SS energy: 0.080 (S_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: 378
Temperature: 1.250000
Total energy: -138.149445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.149445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.516880 (E_RNA)
where:
Base-Base interactions energy: -80.652
where: short stacking energy: -40.157
Base-Backbone interact. energy: -0.427
local terms energy: -57.438507
where:
bonds (distance) C4'-P energy: -9.411
bonds (distance) P-C4' energy: -13.932
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -13.801
Dist. restrs. and SS energy: 0.367 (S_DIST_RNA)
chem. 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: -131.049451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.049451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.049451 (E_RNA)
where:
Base-Base interactions energy: -70.261
where: short stacking energy: -29.187
Base-Backbone interact. energy: -0.117
local terms energy: -60.671753
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -5.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -134.959114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.959114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.959114 (E_RNA)
where:
Base-Base interactions energy: -81.122
where: short stacking energy: -43.522
Base-Backbone interact. energy: -0.151
local terms energy: -53.685623
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -10.514
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -8.568
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -193.215432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.215432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.677896 (E_RNA)
where:
Base-Base interactions energy: -115.789
where: short stacking energy: -65.053
Base-Backbone interact. energy: -0.414
local terms energy: -77.474781
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -14.246
tors. eta vs tors. theta energy: -18.124
Dist. restrs. and SS energy: 0.462 (S_DIST_RNA)
chem. 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: -187.509511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.509511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.517420 (E_RNA)
where:
Base-Base interactions energy: -107.122
where: short stacking energy: -63.063
Base-Backbone interact. energy: 1.676
local terms energy: -82.071572
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -13.165
tors. eta vs tors. theta energy: -17.029
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. 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: -166.742433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.742433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.778807 (E_RNA)
where:
Base-Base interactions energy: -94.921
where: short stacking energy: -60.154
Base-Backbone interact. energy: -0.032
local terms energy: -71.826000
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -13.038
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -176.138617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.138617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.145179 (E_RNA)
where:
Base-Base interactions energy: -102.728
where: short stacking energy: -58.094
Base-Backbone interact. energy: 0.243
local terms energy: -73.659982
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -15.288
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -150.429363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.429363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.911282 (E_RNA)
where:
Base-Base interactions energy: -97.223
where: short stacking energy: -44.122
Base-Backbone interact. energy: 0.023
local terms energy: -53.710640
where:
bonds (distance) C4'-P energy: -5.134
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -5.249
Dist. restrs. and SS energy: 0.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -161.579232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.579232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.611699 (E_RNA)
where:
Base-Base interactions energy: -97.055
where: short stacking energy: -53.280
Base-Backbone interact. energy: -0.078
local terms energy: -64.478819
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -11.223
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -157.447263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.447263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.458711 (E_RNA)
where:
Base-Base interactions energy: -87.539
where: short stacking energy: -49.883
Base-Backbone interact. energy: -0.386
local terms energy: -69.534289
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -17.117
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -14.268
Dist. restrs. and SS energy: 0.011 (S_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: 379
Temperature: 1.250000
Total energy: -124.423347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.423347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.423347 (E_RNA)
where:
Base-Base interactions energy: -67.141
where: short stacking energy: -34.102
Base-Backbone interact. energy: -0.907
local terms energy: -56.376098
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -3.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -136.440070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.440070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.640129 (E_RNA)
where:
Base-Base interactions energy: -85.827
where: short stacking energy: -34.298
Base-Backbone interact. energy: -0.261
local terms energy: -50.551957
where:
bonds (distance) C4'-P energy: -10.920
bonds (distance) P-C4' energy: -11.308
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -4.529
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -111.837675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.837675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.837675 (E_RNA)
where:
Base-Base interactions energy: -72.513
where: short stacking energy: -40.390
Base-Backbone interact. energy: 0.209
local terms energy: -39.532787
where:
bonds (distance) C4'-P energy: -8.592
bonds (distance) P-C4' energy: -6.278
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -3.882
tors. eta vs tors. theta energy: -8.228
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: 1, replica: 8
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -198.949383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.949383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.949383 (E_RNA)
where:
Base-Base interactions energy: -120.285
where: short stacking energy: -60.833
Base-Backbone interact. energy: -0.127
local terms energy: -78.538355
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -18.008
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -172.528708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.528708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.767660 (E_RNA)
where:
Base-Base interactions energy: -103.707
where: short stacking energy: -60.141
Base-Backbone interact. energy: -0.054
local terms energy: -69.006335
where:
bonds (distance) C4'-P energy: -12.164
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -17.625
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -11.132
Dist. restrs. and SS energy: 0.239 (S_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: 380
Temperature: 1.000000
Total energy: -175.169026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.169026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.418069 (E_RNA)
where:
Base-Base interactions energy: -100.964
where: short stacking energy: -67.149
Base-Backbone interact. energy: -0.044
local terms energy: -74.409881
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -18.471
Dist. restrs. and SS energy: 0.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -171.171024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.171024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.361498 (E_RNA)
where:
Base-Base interactions energy: -99.756
where: short stacking energy: -59.490
Base-Backbone interact. energy: -0.107
local terms energy: -71.498648
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -15.505
Dist. restrs. and SS energy: 0.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -160.372034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.372034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.427557 (E_RNA)
where:
Base-Base interactions energy: -95.875
where: short stacking energy: -45.797
Base-Backbone interact. energy: -1.460
local terms energy: -63.092629
where:
bonds (distance) C4'-P energy: -13.546
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -11.285
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -149.553558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.553558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.562524 (E_RNA)
where:
Base-Base interactions energy: -84.257
where: short stacking energy: -46.161
Base-Backbone interact. energy: -0.108
local terms energy: -65.197672
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -11.396
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -166.669930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.669930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.669930 (E_RNA)
where:
Base-Base interactions energy: -103.715
where: short stacking energy: -47.706
Base-Backbone interact. energy: -0.233
local terms energy: -62.722244
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -6.951
tors. eta vs tors. theta energy: -16.461
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -120.572064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.572064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.645767 (E_RNA)
where:
Base-Base interactions energy: -61.699
where: short stacking energy: -32.984
Base-Backbone interact. energy: -0.110
local terms energy: -58.836513
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -5.928
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -134.777517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.777517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.986616 (E_RNA)
where:
Base-Base interactions energy: -80.627
where: short stacking energy: -35.566
Base-Backbone interact. energy: -0.268
local terms energy: -54.091959
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -14.813
flat angles C4'-P-C4' energy: -7.955
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -7.234
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -135.120092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.120092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.272358 (E_RNA)
where:
Base-Base interactions energy: -75.783
where: short stacking energy: -38.184
Base-Backbone interact. energy: -0.044
local terms energy: -59.445736
where:
bonds (distance) C4'-P energy: -18.208
bonds (distance) P-C4' energy: -12.502
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -6.808
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -199.924565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.924565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.009803 (E_RNA)
where:
Base-Base interactions energy: -127.795
where: short stacking energy: -65.886
Base-Backbone interact. energy: -0.169
local terms energy: -72.045460
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -17.021
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -179.260025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.260025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.505616 (E_RNA)
where:
Base-Base interactions energy: -113.357
where: short stacking energy: -59.088
Base-Backbone interact. energy: -0.010
local terms energy: -66.138695
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -12.591
Dist. restrs. and SS energy: 0.246 (S_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: 381
Temperature: 1.000000
Total energy: -183.018776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.018776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.263671 (E_RNA)
where:
Base-Base interactions energy: -111.141
where: short stacking energy: -57.436
Base-Backbone interact. energy: -0.444
local terms energy: -71.678597
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -10.870
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -19.777
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -182.850671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.850671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.883349 (E_RNA)
where:
Base-Base interactions energy: -111.698
where: short stacking energy: -67.659
Base-Backbone interact. energy: -0.007
local terms energy: -71.178076
where:
bonds (distance) C4'-P energy: -9.642
bonds (distance) P-C4' energy: -17.303
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -18.696
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -153.160679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.160679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.160679 (E_RNA)
where:
Base-Base interactions energy: -89.587
where: short stacking energy: -51.866
Base-Backbone interact. energy: -0.036
local terms energy: -63.537790
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -13.433
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -161.687466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.687466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.967753 (E_RNA)
where:
Base-Base interactions energy: -96.783
where: short stacking energy: -56.305
Base-Backbone interact. energy: 0.424
local terms energy: -65.609031
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -12.737
Dist. restrs. and SS energy: 0.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -162.604082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.604082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.799711 (E_RNA)
where:
Base-Base interactions energy: -95.525
where: short stacking energy: -61.244
Base-Backbone interact. energy: 0.712
local terms energy: -67.987278
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -16.438
Dist. restrs. and SS energy: 0.196 (S_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: 381
Temperature: 1.250000
Total energy: -142.605212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.605212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.608385 (E_RNA)
where:
Base-Base interactions energy: -83.928
where: short stacking energy: -38.572
Base-Backbone interact. energy: 0.867
local terms energy: -59.547522
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -15.876
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -7.255
tors. eta vs tors. theta energy: -9.400
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. 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: -134.833034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.833034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.300261 (E_RNA)
where:
Base-Base interactions energy: -80.451
where: short stacking energy: -36.317
Base-Backbone interact. energy: -0.324
local terms energy: -54.525350
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -6.053
Dist. restrs. and SS energy: 0.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -126.736341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.736341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.746424 (E_RNA)
where:
Base-Base interactions energy: -70.113
where: short stacking energy: -41.508
Base-Backbone interact. energy: -0.129
local terms energy: -56.504283
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -11.186
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -7.119
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -201.587024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.587024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.640734 (E_RNA)
where:
Base-Base interactions energy: -125.507
where: short stacking energy: -76.791
Base-Backbone interact. energy: -0.043
local terms energy: -76.091256
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -19.954
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -200.208380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.208380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.372486 (E_RNA)
where:
Base-Base interactions energy: -120.378
where: short stacking energy: -73.305
Base-Backbone interact. energy: 0.138
local terms energy: -80.132408
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -21.117
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. 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: -173.733833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.733833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.099445 (E_RNA)
where:
Base-Base interactions energy: -104.970
where: short stacking energy: -55.141
Base-Backbone interact. energy: 0.066
local terms energy: -69.194720
where:
bonds (distance) C4'-P energy: -16.626
bonds (distance) P-C4' energy: -17.291
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -13.238
Dist. restrs. and SS energy: 0.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -166.178786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.178786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.584935 (E_RNA)
where:
Base-Base interactions energy: -96.610
where: short stacking energy: -49.029
Base-Backbone interact. energy: -1.174
local terms energy: -68.800866
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -10.529
Dist. restrs. and SS energy: 0.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -161.317898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.317898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.401357 (E_RNA)
where:
Base-Base interactions energy: -103.194
where: short stacking energy: -52.314
Base-Backbone interact. energy: -0.116
local terms energy: -58.091581
where:
bonds (distance) C4'-P energy: -8.467
bonds (distance) P-C4' energy: -13.573
flat angles C4'-P-C4' energy: -10.878
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -13.668
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -156.062741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.062741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.251697 (E_RNA)
where:
Base-Base interactions energy: -93.993
where: short stacking energy: -58.860
Base-Backbone interact. energy: -0.077
local terms energy: -62.181976
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -5.761
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -127.019354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.019354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.311352 (E_RNA)
where:
Base-Base interactions energy: -72.067
where: short stacking energy: -35.121
Base-Backbone interact. energy: 0.506
local terms energy: -55.751100
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -10.671
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -4.499
tors. eta vs tors. theta energy: -8.162
Dist. restrs. and SS energy: 0.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -152.088284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.088284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.260187 (E_RNA)
where:
Base-Base interactions energy: -93.128
where: short stacking energy: -48.763
Base-Backbone interact. energy: -0.169
local terms energy: -58.962977
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -4.136
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -12.238
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. 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: -148.386110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.386110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.436124 (E_RNA)
where:
Base-Base interactions energy: -85.407
where: short stacking energy: -40.830
Base-Backbone interact. energy: -0.159
local terms energy: -62.870393
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -4.803
tors. eta vs tors. theta energy: -9.876
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -132.460929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.460929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.460929 (E_RNA)
where:
Base-Base interactions energy: -77.384
where: short stacking energy: -41.440
Base-Backbone interact. energy: -0.087
local terms energy: -54.989807
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -10.541
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -5.050
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -197.291224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.291224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.293132 (E_RNA)
where:
Base-Base interactions energy: -117.626
where: short stacking energy: -71.476
Base-Backbone interact. energy: -0.194
local terms energy: -79.473056
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -18.016
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -191.868415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.868415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.933833 (E_RNA)
where:
Base-Base interactions energy: -104.973
where: short stacking energy: -68.363
Base-Backbone interact. energy: -1.760
local terms energy: -85.200930
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -14.251
tors. eta vs tors. theta energy: -23.952
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. 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: -189.378465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.378465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.378465 (E_RNA)
where:
Base-Base interactions energy: -114.978
where: short stacking energy: -68.546
Base-Backbone interact. energy: -0.168
local terms energy: -74.232934
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -19.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -163.183314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.183314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.215986 (E_RNA)
where:
Base-Base interactions energy: -94.762
where: short stacking energy: -56.544
Base-Backbone interact. energy: -0.077
local terms energy: -68.377917
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -14.718
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -177.597697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.597697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.638162 (E_RNA)
where:
Base-Base interactions energy: -108.377
where: short stacking energy: -64.419
Base-Backbone interact. energy: 0.179
local terms energy: -69.440352
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -16.405
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. 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: -142.449135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.449135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.457976 (E_RNA)
where:
Base-Base interactions energy: -89.448
where: short stacking energy: -48.318
Base-Backbone interact. energy: 0.698
local terms energy: -53.708367
where:
bonds (distance) C4'-P energy: -17.135
bonds (distance) P-C4' energy: -11.810
flat angles C4'-P-C4' energy: -10.553
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -6.002
Dist. restrs. and SS energy: 0.009 (S_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: 383
Temperature: 1.200000
Total energy: -141.650824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.650824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.650824 (E_RNA)
where:
Base-Base interactions energy: -80.206
where: short stacking energy: -37.321
Base-Backbone interact. energy: -0.070
local terms energy: -61.375725
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -8.732
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: 2
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -145.782245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.782245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.791155 (E_RNA)
where:
Base-Base interactions energy: -85.305
where: short stacking energy: -43.288
Base-Backbone interact. energy: -0.116
local terms energy: -60.369697
where:
bonds (distance) C4'-P energy: -11.177
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -11.683
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -136.538100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.538100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.932676 (E_RNA)
where:
Base-Base interactions energy: -71.311
where: short stacking energy: -36.091
Base-Backbone interact. energy: -1.294
local terms energy: -64.327890
where:
bonds (distance) C4'-P energy: -16.254
bonds (distance) P-C4' energy: -13.524
flat angles C4'-P-C4' energy: -11.717
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -10.033
Dist. restrs. and SS energy: 0.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -124.535619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.535619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.574167 (E_RNA)
where:
Base-Base interactions energy: -71.943
where: short stacking energy: -33.681
Base-Backbone interact. energy: -0.185
local terms energy: -52.446441
where:
bonds (distance) C4'-P energy: -16.059
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -9.562
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -2.301
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -197.940861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.940861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.940861 (E_RNA)
where:
Base-Base interactions energy: -120.497
where: short stacking energy: -65.468
Base-Backbone interact. energy: -0.012
local terms energy: -77.431994
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -16.738
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: 2, replica: 8
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -192.940727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.940727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.940727 (E_RNA)
where:
Base-Base interactions energy: -119.243
where: short stacking energy: -70.507
Base-Backbone interact. energy: -0.022
local terms energy: -73.675864
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -18.082
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -179.907363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.907363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.382217 (E_RNA)
where:
Base-Base interactions energy: -101.404
where: short stacking energy: -65.821
Base-Backbone interact. energy: -0.079
local terms energy: -78.899218
where:
bonds (distance) C4'-P energy: -17.244
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -18.469
Dist. restrs. and SS energy: 0.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -150.713740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.713740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.822209 (E_RNA)
where:
Base-Base interactions energy: -88.276
where: short stacking energy: -49.103
Base-Backbone interact. energy: -0.052
local terms energy: -62.493318
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -12.493
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -11.241
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -156.012889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.012889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.012889 (E_RNA)
where:
Base-Base interactions energy: -96.306
where: short stacking energy: -53.281
Base-Backbone interact. energy: -0.055
local terms energy: -59.652031
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -4.012
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -12.285
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -153.750007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.750007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.116675 (E_RNA)
where:
Base-Base interactions energy: -86.027
where: short stacking energy: -52.285
Base-Backbone interact. energy: -0.150
local terms energy: -67.939509
where:
bonds (distance) C4'-P energy: -18.386
bonds (distance) P-C4' energy: -12.934
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -13.940
Dist. restrs. and SS energy: 0.367 (S_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: 384
Temperature: 1.200000
Total energy: -153.973530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.973530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.240688 (E_RNA)
where:
Base-Base interactions energy: -91.569
where: short stacking energy: -42.707
Base-Backbone interact. energy: -0.097
local terms energy: -62.574394
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -19.539
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -6.948
Dist. restrs. and SS energy: 0.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -139.591186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.591186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.107213 (E_RNA)
where:
Base-Base interactions energy: -81.578
where: short stacking energy: -41.670
Base-Backbone interact. energy: 0.300
local terms energy: -58.829410
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -6.492
Dist. restrs. and SS energy: 0.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -133.763604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.763604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.776692 (E_RNA)
where:
Base-Base interactions energy: -69.458
where: short stacking energy: -33.152
Base-Backbone interact. energy: -0.048
local terms energy: -64.270667
where:
bonds (distance) C4'-P energy: -17.761
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -5.897
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -127.347173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.347173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.347173 (E_RNA)
where:
Base-Base interactions energy: -63.679
where: short stacking energy: -37.016
Base-Backbone interact. energy: -0.076
local terms energy: -63.592753
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -6.889
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -197.786074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.786074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.786074 (E_RNA)
where:
Base-Base interactions energy: -123.348
where: short stacking energy: -66.514
Base-Backbone interact. energy: -0.101
local terms energy: -74.337767
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -18.306
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -193.421209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.421209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.452056 (E_RNA)
where:
Base-Base interactions energy: -112.885
where: short stacking energy: -76.654
Base-Backbone interact. energy: -0.043
local terms energy: -80.524126
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -20.818
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -179.720116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.720116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.911167 (E_RNA)
where:
Base-Base interactions energy: -106.590
where: short stacking energy: -56.199
Base-Backbone interact. energy: -0.026
local terms energy: -73.294804
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -16.092
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -167.984872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.984872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.070100 (E_RNA)
where:
Base-Base interactions energy: -105.252
where: short stacking energy: -48.173
Base-Backbone interact. energy: -0.555
local terms energy: -62.263091
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -8.625
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -156.455194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.455194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.697028 (E_RNA)
where:
Base-Base interactions energy: -87.671
where: short stacking energy: -60.630
Base-Backbone interact. energy: -0.097
local terms energy: -68.929758
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -15.040
Dist. restrs. and SS energy: 0.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -160.711902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.711902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.711902 (E_RNA)
where:
Base-Base interactions energy: -93.166
where: short stacking energy: -59.047
Base-Backbone interact. energy: -0.301
local terms energy: -67.244559
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -11.642
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -12.639
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: 2
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -159.256147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.256147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.256147 (E_RNA)
where:
Base-Base interactions energy: -83.863
where: short stacking energy: -48.696
Base-Backbone interact. energy: -0.268
local terms energy: -75.125659
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -11.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -146.519265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.519265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.568067 (E_RNA)
where:
Base-Base interactions energy: -86.166
where: short stacking energy: -51.220
Base-Backbone interact. energy: -0.009
local terms energy: -60.392874
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -10.901
Dist. restrs. and SS energy: 0.049 (S_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: 385
Temperature: 1.300000
Total energy: -95.253314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.253314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.327682 (E_RNA)
where:
Base-Base interactions energy: -53.689
where: short stacking energy: -30.698
Base-Backbone interact. energy: 0.616
local terms energy: -42.254452
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: 2.906
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -121.097573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.097573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.097573 (E_RNA)
where:
Base-Base interactions energy: -69.138
where: short stacking energy: -45.482
Base-Backbone interact. energy: -0.102
local terms energy: -51.856726
where:
bonds (distance) C4'-P energy: -6.936
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -9.113
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -10.442
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -185.964267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.964267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.254748 (E_RNA)
where:
Base-Base interactions energy: -109.649
where: short stacking energy: -65.226
Base-Backbone interact. energy: -0.062
local terms energy: -76.544436
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -13.902
tors. eta vs tors. theta energy: -15.471
Dist. restrs. and SS energy: 0.290 (S_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: 386
Temperature: 0.950000
Total energy: -187.722902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.722902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.722902 (E_RNA)
where:
Base-Base interactions energy: -109.990
where: short stacking energy: -70.695
Base-Backbone interact. energy: 0.683
local terms energy: -78.416115
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -18.696
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -18.791
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: 8
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -182.744457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.744457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.744457 (E_RNA)
where:
Base-Base interactions energy: -109.567
where: short stacking energy: -65.852
Base-Backbone interact. energy: -0.003
local terms energy: -73.175112
where:
bonds (distance) C4'-P energy: -15.815
bonds (distance) P-C4' energy: -17.527
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -16.833
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: 10
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -165.415630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.415630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.187488 (E_RNA)
where:
Base-Base interactions energy: -100.172
where: short stacking energy: -57.537
Base-Backbone interact. energy: -0.122
local terms energy: -65.893105
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -14.155
Dist. restrs. and SS energy: 0.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -155.414123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.414123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.414123 (E_RNA)
where:
Base-Base interactions energy: -89.536
where: short stacking energy: -48.287
Base-Backbone interact. energy: 0.305
local terms energy: -66.182833
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -6.046
tors. eta vs tors. theta energy: -15.610
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -158.740059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.740059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.740059 (E_RNA)
where:
Base-Base interactions energy: -91.932
where: short stacking energy: -49.404
Base-Backbone interact. energy: -0.017
local terms energy: -66.791812
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -14.024
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -11.142
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -147.574890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.574890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.619677 (E_RNA)
where:
Base-Base interactions energy: -101.171
where: short stacking energy: -45.889
Base-Backbone interact. energy: 0.469
local terms energy: -46.917724
where:
bonds (distance) C4'-P energy: -1.384
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -5.527
Dist. restrs. and SS energy: 0.045 (S_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: 386
Temperature: 1.250000
Total energy: -139.465564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.465564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.465564 (E_RNA)
where:
Base-Base interactions energy: -78.462
where: short stacking energy: -42.156
Base-Backbone interact. energy: -0.172
local terms energy: -60.831267
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -12.752
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: 6
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -138.812503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.812503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.812503 (E_RNA)
where:
Base-Base interactions energy: -84.837
where: short stacking energy: -40.782
Base-Backbone interact. energy: -0.335
local terms energy: -53.640747
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: 0.415
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -88.249714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.249714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.575591 (E_RNA)
where:
Base-Base interactions energy: -41.962
where: short stacking energy: -20.325
Base-Backbone interact. energy: -0.298
local terms energy: -46.315728
where:
bonds (distance) C4'-P energy: -11.037
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -6.683
tors. eta vs tors. theta energy: 0.855
Dist. restrs. and SS energy: 0.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -189.496632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.496632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.505423 (E_RNA)
where:
Base-Base interactions energy: -118.577
where: short stacking energy: -70.583
Base-Backbone interact. energy: -0.009
local terms energy: -70.919923
where:
bonds (distance) C4'-P energy: -8.861
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -14.482
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -174.418611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.418611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.418611 (E_RNA)
where:
Base-Base interactions energy: -103.597
where: short stacking energy: -57.475
Base-Backbone interact. energy: -0.065
local terms energy: -70.757253
where:
bonds (distance) C4'-P energy: -10.368
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -18.728
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: 3
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -175.506972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.506972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.506972 (E_RNA)
where:
Base-Base interactions energy: -105.263
where: short stacking energy: -58.079
Base-Backbone interact. energy: -0.036
local terms energy: -70.208699
where:
bonds (distance) C4'-P energy: -16.551
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -16.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -175.960684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.960684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.960684 (E_RNA)
where:
Base-Base interactions energy: -102.915
where: short stacking energy: -54.746
Base-Backbone interact. energy: -0.003
local terms energy: -73.042659
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -12.647
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: 5, replica: 10
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -154.869281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.869281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.928258 (E_RNA)
where:
Base-Base interactions energy: -92.029
where: short stacking energy: -51.878
Base-Backbone interact. energy: -0.193
local terms energy: -62.705751
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -6.300
tors. eta vs tors. theta energy: -9.583
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -144.134434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.134434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.170313 (E_RNA)
where:
Base-Base interactions energy: -81.961
where: short stacking energy: -43.091
Base-Backbone interact. energy: -0.000
local terms energy: -62.208667
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -13.082
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -149.206325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.206325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.214196 (E_RNA)
where:
Base-Base interactions energy: -89.075
where: short stacking energy: -48.264
Base-Backbone interact. energy: -0.160
local terms energy: -59.979149
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -9.397
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -10.039
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -125.855981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.855981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.920023 (E_RNA)
where:
Base-Base interactions energy: -66.110
where: short stacking energy: -38.374
Base-Backbone interact. energy: -0.427
local terms energy: -59.382887
where:
bonds (distance) C4'-P energy: -10.398
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -10.454
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. 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: -120.964416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.964416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.964416 (E_RNA)
where:
Base-Base interactions energy: -76.328
where: short stacking energy: -38.573
Base-Backbone interact. energy: -0.218
local terms energy: -44.418576
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -2.884
tors. eta vs tors. theta energy: -0.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -110.977486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.977486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.977486 (E_RNA)
where:
Base-Base interactions energy: -63.856
where: short stacking energy: -36.654
Base-Backbone interact. energy: -0.512
local terms energy: -46.610079
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: 0.268
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -196.528285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.528285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.848886 (E_RNA)
where:
Base-Base interactions energy: -116.988
where: short stacking energy: -65.068
Base-Backbone interact. energy: 0.040
local terms energy: -79.900572
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -18.757
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -18.150
Dist. restrs. and SS energy: 0.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -187.604103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.604103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.963068 (E_RNA)
where:
Base-Base interactions energy: -115.094
where: short stacking energy: -68.459
Base-Backbone interact. energy: -0.110
local terms energy: -72.758705
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -16.798
Dist. restrs. and SS energy: 0.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -186.524254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.524254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.599134 (E_RNA)
where:
Base-Base interactions energy: -107.970
where: short stacking energy: -65.775
Base-Backbone interact. energy: -0.407
local terms energy: -78.222746
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -18.379
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -164.465332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.465332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.465332 (E_RNA)
where:
Base-Base interactions energy: -94.445
where: short stacking energy: -56.982
Base-Backbone interact. energy: -1.192
local terms energy: -68.827505
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -11.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -158.364225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.364225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.364225 (E_RNA)
where:
Base-Base interactions energy: -89.368
where: short stacking energy: -43.102
Base-Backbone interact. energy: -0.326
local terms energy: -68.669718
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -18.071
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -8.957
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: 10
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -156.943085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.943085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.194807 (E_RNA)
where:
Base-Base interactions energy: -95.748
where: short stacking energy: -53.376
Base-Backbone interact. energy: -0.316
local terms energy: -61.130456
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -17.864
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -3.709
tors. eta vs tors. theta energy: -13.914
Dist. restrs. and SS energy: 0.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -122.684759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.684759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.703052 (E_RNA)
where:
Base-Base interactions energy: -71.376
where: short stacking energy: -33.351
Base-Backbone interact. energy: -0.409
local terms energy: -50.917655
where:
bonds (distance) C4'-P energy: -14.490
bonds (distance) P-C4' energy: -11.432
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -5.278
tors. eta vs tors. theta energy: -2.800
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -133.360926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.360926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.551883 (E_RNA)
where:
Base-Base interactions energy: -82.555
where: short stacking energy: -29.564
Base-Backbone interact. energy: -0.611
local terms energy: -50.385983
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -11.494
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -7.224
tors. eta vs tors. theta energy: -6.912
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. 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: -127.402480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.402480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.402480 (E_RNA)
where:
Base-Base interactions energy: -70.123
where: short stacking energy: -30.195
Base-Backbone interact. energy: 0.684
local terms energy: -57.963412
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -8.875
flat angles P-C4'-P energy: -12.015
tors. eta vs tors. theta energy: -8.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -127.749509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.749509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.749509 (E_RNA)
where:
Base-Base interactions energy: -78.141
where: short stacking energy: -41.404
Base-Backbone interact. energy: -0.139
local terms energy: -49.470150
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -8.006
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -4.161
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -206.983940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.983940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.220531 (E_RNA)
where:
Base-Base interactions energy: -126.468
where: short stacking energy: -75.047
Base-Backbone interact. energy: -0.163
local terms energy: -80.589029
where:
bonds (distance) C4'-P energy: -17.401
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -24.675
Dist. restrs. and SS energy: 0.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -194.483333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.483333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.869222 (E_RNA)
where:
Base-Base interactions energy: -115.423
where: short stacking energy: -69.478
Base-Backbone interact. energy: -0.025
local terms energy: -79.421475
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -21.541
Dist. restrs. and SS energy: 0.386 (S_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: 389
Temperature: 1.000000
Total energy: -189.929796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.929796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.081175 (E_RNA)
where:
Base-Base interactions energy: -111.854
where: short stacking energy: -59.774
Base-Backbone interact. energy: -1.678
local terms energy: -76.549390
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -14.604
tors. eta vs tors. theta energy: -14.991
Dist. restrs. and SS energy: 0.151 (S_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: 389
Temperature: 1.050000
Total energy: -181.556817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.556817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.713788 (E_RNA)
where:
Base-Base interactions energy: -113.051
where: short stacking energy: -64.068
Base-Backbone interact. energy: -0.029
local terms energy: -68.633466
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -6.476
tors. eta vs tors. theta energy: -16.987
Dist. restrs. and SS energy: 0.157 (S_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: 389
Temperature: 1.100000
Total energy: -151.316231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.316231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.316231 (E_RNA)
where:
Base-Base interactions energy: -87.705
where: short stacking energy: -52.391
Base-Backbone interact. energy: -0.235
local terms energy: -63.375880
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -8.778
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -9.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -148.079357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.079357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.420412 (E_RNA)
where:
Base-Base interactions energy: -88.796
where: short stacking energy: -42.644
Base-Backbone interact. energy: -1.618
local terms energy: -58.006893
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -9.963
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -8.797
Dist. restrs. and SS energy: 0.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -138.113781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.113781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.141100 (E_RNA)
where:
Base-Base interactions energy: -74.357
where: short stacking energy: -42.493
Base-Backbone interact. energy: -0.037
local terms energy: -63.746346
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -5.275
tors. eta vs tors. theta energy: -11.013
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -141.975755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.975755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.980743 (E_RNA)
where:
Base-Base interactions energy: -85.055
where: short stacking energy: -40.337
Base-Backbone interact. energy: 0.115
local terms energy: -57.040767
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -11.027
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -4.920
tors. eta vs tors. theta energy: -6.950
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. 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: -126.776154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.776154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.776154 (E_RNA)
where:
Base-Base interactions energy: -71.031
where: short stacking energy: -38.734
Base-Backbone interact. energy: -0.647
local terms energy: -55.098153
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -10.104
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -7.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -123.629838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.629838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.629838 (E_RNA)
where:
Base-Base interactions energy: -71.797
where: short stacking energy: -39.625
Base-Backbone interact. energy: -0.197
local terms energy: -51.635597
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -2.928
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -193.039682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.039682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.039682 (E_RNA)
where:
Base-Base interactions energy: -117.959
where: short stacking energy: -74.450
Base-Backbone interact. energy: -0.872
local terms energy: -74.208776
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -9.194
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: 2, replica: 8
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -198.684543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.684543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.694095 (E_RNA)
where:
Base-Base interactions energy: -121.762
where: short stacking energy: -68.572
Base-Backbone interact. energy: -0.034
local terms energy: -76.897934
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -19.979
Dist. restrs. and SS energy: 0.010 (S_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: 390
Temperature: 1.000000
Total energy: -184.188330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.188330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.450360 (E_RNA)
where:
Base-Base interactions energy: -114.972
where: short stacking energy: -62.829
Base-Backbone interact. energy: -0.017
local terms energy: -69.461050
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -15.241
Dist. restrs. and SS energy: 0.262 (S_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: 390
Temperature: 1.050000
Total energy: -186.736907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.736907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.841531 (E_RNA)
where:
Base-Base interactions energy: -108.657
where: short stacking energy: -61.536
Base-Backbone interact. energy: -0.003
local terms energy: -78.181621
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -17.735
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -18.906
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. 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: -156.480535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.480535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.941958 (E_RNA)
where:
Base-Base interactions energy: -92.533
where: short stacking energy: -45.368
Base-Backbone interact. energy: -0.082
local terms energy: -64.326884
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -13.996
tors. eta vs tors. theta energy: -5.799
Dist. restrs. and SS energy: 0.461 (S_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: 390
Temperature: 1.150000
Total energy: -141.470368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.470368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.560538 (E_RNA)
where:
Base-Base interactions energy: -79.487
where: short stacking energy: -43.645
Base-Backbone interact. energy: -0.048
local terms energy: -62.025165
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -17.961
flat angles C4'-P-C4' energy: -9.078
flat angles P-C4'-P energy: -13.374
tors. eta vs tors. theta energy: -8.714
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -150.983121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.983121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.124840 (E_RNA)
where:
Base-Base interactions energy: -94.520
where: short stacking energy: -53.439
Base-Backbone interact. energy: -1.569
local terms energy: -55.035605
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -9.636
Dist. restrs. and SS energy: 0.142 (S_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: 390
Temperature: 1.250000
Total energy: -142.170700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.170700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.172802 (E_RNA)
where:
Base-Base interactions energy: -85.292
where: short stacking energy: -45.976
Base-Backbone interact. energy: -0.032
local terms energy: -56.848291
where:
bonds (distance) C4'-P energy: -8.860
bonds (distance) P-C4' energy: -12.104
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -11.189
Dist. restrs. and SS energy: 0.002 (S_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: 390
Temperature: 1.300000
Total energy: -124.742698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.742698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.742698 (E_RNA)
where:
Base-Base interactions energy: -63.759
where: short stacking energy: -35.570
Base-Backbone interact. energy: -0.227
local terms energy: -60.756941
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -8.295
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -130.412489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.412489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.413930 (E_RNA)
where:
Base-Base interactions energy: -77.000
where: short stacking energy: -48.862
Base-Backbone interact. energy: -0.058
local terms energy: -53.355496
where:
bonds (distance) C4'-P energy: -8.011
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -10.718
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -7.366
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -201.533480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.533480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.651475 (E_RNA)
where:
Base-Base interactions energy: -118.085
where: short stacking energy: -72.393
Base-Backbone interact. energy: 0.374
local terms energy: -83.940218
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -14.096
tors. eta vs tors. theta energy: -18.584
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -165.614069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.614069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.618068 (E_RNA)
where:
Base-Base interactions energy: -96.913
where: short stacking energy: -56.299
Base-Backbone interact. energy: -0.104
local terms energy: -68.601730
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -15.074
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -10.647
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -175.291978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.291978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.609964 (E_RNA)
where:
Base-Base interactions energy: -107.156
where: short stacking energy: -52.803
Base-Backbone interact. energy: -0.027
local terms energy: -68.426676
where:
bonds (distance) C4'-P energy: -6.016
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -12.612
tors. eta vs tors. theta energy: -17.302
Dist. restrs. and SS energy: 0.318 (S_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: 391
Temperature: 1.050000
Total energy: -182.626723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.626723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.644732 (E_RNA)
where:
Base-Base interactions energy: -110.528
where: short stacking energy: -56.879
Base-Backbone interact. energy: -0.004
local terms energy: -72.113016
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -15.524
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. 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: -162.216099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.216099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.216099 (E_RNA)
where:
Base-Base interactions energy: -95.763
where: short stacking energy: -49.701
Base-Backbone interact. energy: -0.138
local terms energy: -66.315696
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -12.387
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -137.811648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.811648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.811648 (E_RNA)
where:
Base-Base interactions energy: -73.126
where: short stacking energy: -39.127
Base-Backbone interact. energy: -0.279
local terms energy: -64.406733
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -14.405
tors. eta vs tors. theta energy: -4.965
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: 7, replica: 1
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -144.072405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.072405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.257254 (E_RNA)
where:
Base-Base interactions energy: -89.193
where: short stacking energy: -41.618
Base-Backbone interact. energy: -0.052
local terms energy: -55.011689
where:
bonds (distance) C4'-P energy: -9.388
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -8.814
Dist. restrs. and SS energy: 0.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -116.221347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.221347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.221347 (E_RNA)
where:
Base-Base interactions energy: -59.443
where: short stacking energy: -29.725
Base-Backbone interact. energy: -0.391
local terms energy: -56.386819
where:
bonds (distance) C4'-P energy: -7.134
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -5.988
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -121.008579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.008579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.275220 (E_RNA)
where:
Base-Base interactions energy: -63.915
where: short stacking energy: -26.529
Base-Backbone interact. energy: -0.270
local terms energy: -57.090199
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: 0.001
Dist. restrs. and SS energy: 0.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -117.339350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.339350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.358273 (E_RNA)
where:
Base-Base interactions energy: -73.567
where: short stacking energy: -43.415
Base-Backbone interact. energy: 0.493
local terms energy: -44.284464
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -10.060
flat angles P-C4'-P energy: -3.596
tors. eta vs tors. theta energy: -6.496
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -203.599275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.599275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.786989 (E_RNA)
where:
Base-Base interactions energy: -121.323
where: short stacking energy: -76.548
Base-Backbone interact. energy: -0.233
local terms energy: -82.230906
where:
bonds (distance) C4'-P energy: -17.049
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -20.132
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -173.511058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.511058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.786682 (E_RNA)
where:
Base-Base interactions energy: -104.522
where: short stacking energy: -54.869
Base-Backbone interact. energy: -0.010
local terms energy: -69.254470
where:
bonds (distance) C4'-P energy: -18.022
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -10.458
Dist. restrs. and SS energy: 0.276 (S_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: 392
Temperature: 1.000000
Total energy: -181.810418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.810418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.149356 (E_RNA)
where:
Base-Base interactions energy: -103.591
where: short stacking energy: -53.586
Base-Backbone interact. energy: -0.053
local terms energy: -78.505649
where:
bonds (distance) C4'-P energy: -18.362
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -15.361
Dist. restrs. and SS energy: 0.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -170.244572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.244572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.264910 (E_RNA)
where:
Base-Base interactions energy: -98.329
where: short stacking energy: -63.262
Base-Backbone interact. energy: -0.015
local terms energy: -71.920560
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -13.694
Dist. restrs. and SS energy: 0.020 (S_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: 392
Temperature: 1.100000
Total energy: -154.581437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.581437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.581437 (E_RNA)
where:
Base-Base interactions energy: -88.543
where: short stacking energy: -44.457
Base-Backbone interact. energy: -0.071
local terms energy: -65.967345
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -4.243
tors. eta vs tors. theta energy: -12.557
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: 392
Temperature: 1.150000
Total energy: -171.762318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.762318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.762318 (E_RNA)
where:
Base-Base interactions energy: -103.116
where: short stacking energy: -62.324
Base-Backbone interact. energy: 0.447
local terms energy: -69.093488
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -11.356
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: 7, replica: 4
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -104.256863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.256863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.691084 (E_RNA)
where:
Base-Base interactions energy: -56.040
where: short stacking energy: -26.202
Base-Backbone interact. energy: -0.087
local terms energy: -49.564582
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -9.848
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -2.692
Dist. restrs. and SS energy: 1.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -122.719662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.719662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.921418 (E_RNA)
where:
Base-Base interactions energy: -73.985
where: short stacking energy: -27.673
Base-Backbone interact. energy: 0.294
local terms energy: -49.230945
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -9.107
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -3.835
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. 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: -132.350966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.350966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.354545 (E_RNA)
where:
Base-Base interactions energy: -73.934
where: short stacking energy: -45.194
Base-Backbone interact. energy: -0.129
local terms energy: -58.291555
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -13.639
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -6.508
tors. eta vs tors. theta energy: -10.351
Dist. restrs. and SS energy: 0.004 (S_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: 392
Temperature: 1.350000
Total energy: -119.606152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.606152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.685104 (E_RNA)
where:
Base-Base interactions energy: -75.824
where: short stacking energy: -37.677
Base-Backbone interact. energy: -0.294
local terms energy: -43.566606
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -9.229
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -4.993
tors. eta vs tors. theta energy: -0.931
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -199.434037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.434037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.477602 (E_RNA)
where:
Base-Base interactions energy: -114.629
where: short stacking energy: -74.385
Base-Backbone interact. energy: -0.039
local terms energy: -84.809775
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -14.176
tors. eta vs tors. theta energy: -22.589
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -190.681336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.681336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.995029 (E_RNA)
where:
Base-Base interactions energy: -117.996
where: short stacking energy: -70.175
Base-Backbone interact. energy: -0.023
local terms energy: -72.976823
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -15.954
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -16.121
Dist. restrs. and SS energy: 0.314 (S_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: 393
Temperature: 1.000000
Total energy: -181.925297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.925297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.987550 (E_RNA)
where:
Base-Base interactions energy: -109.468
where: short stacking energy: -60.841
Base-Backbone interact. energy: -0.624
local terms energy: -71.895916
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -15.547
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -170.198934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.198934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.198934 (E_RNA)
where:
Base-Base interactions energy: -100.011
where: short stacking energy: -55.359
Base-Backbone interact. energy: -0.781
local terms energy: -69.407305
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -15.120
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -163.545950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.545950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.545950 (E_RNA)
where:
Base-Base interactions energy: -92.726
where: short stacking energy: -53.816
Base-Backbone interact. energy: -0.276
local terms energy: -70.543444
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -14.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -138.563485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.563485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.669576 (E_RNA)
where:
Base-Base interactions energy: -85.743
where: short stacking energy: -43.377
Base-Backbone interact. energy: -0.177
local terms energy: -52.749095
where:
bonds (distance) C4'-P energy: -11.915
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -6.707
Dist. restrs. and SS energy: 0.106 (S_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: 393
Temperature: 1.200000
Total energy: -101.809123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.809123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.544376 (E_RNA)
where:
Base-Base interactions energy: -50.960
where: short stacking energy: -34.301
Base-Backbone interact. energy: -0.647
local terms energy: -51.937669
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -8.898
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -7.869
Dist. restrs. and SS energy: 1.735 (S_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: 393
Temperature: 1.250000
Total energy: -132.080928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.080928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.080928 (E_RNA)
where:
Base-Base interactions energy: -69.750
where: short stacking energy: -41.158
Base-Backbone interact. energy: -0.062
local terms energy: -62.268235
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -13.558
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -9.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -134.184119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.184119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.184119 (E_RNA)
where:
Base-Base interactions energy: -76.194
where: short stacking energy: -43.703
Base-Backbone interact. energy: -1.153
local terms energy: -56.836723
where:
bonds (distance) C4'-P energy: -10.437
bonds (distance) P-C4' energy: -11.165
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -8.367
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -119.506506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.506506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.507307 (E_RNA)
where:
Base-Base interactions energy: -69.282
where: short stacking energy: -32.970
Base-Backbone interact. energy: -0.272
local terms energy: -49.952415
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -10.121
flat angles P-C4'-P energy: -4.736
tors. eta vs tors. theta energy: -2.868
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -183.679617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.679617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.684876 (E_RNA)
where:
Base-Base interactions energy: -108.372
where: short stacking energy: -59.918
Base-Backbone interact. energy: -0.014
local terms energy: -75.298734
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -17.334
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -13.533
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -204.487479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.487479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.487479 (E_RNA)
where:
Base-Base interactions energy: -123.805
where: short stacking energy: -76.820
Base-Backbone interact. energy: -0.006
local terms energy: -80.676461
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -13.308
tors. eta vs tors. theta energy: -22.945
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -180.798391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.798391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.984195 (E_RNA)
where:
Base-Base interactions energy: -104.249
where: short stacking energy: -56.821
Base-Backbone interact. energy: -0.006
local terms energy: -76.729180
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -18.277
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -158.627531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.627531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.673427 (E_RNA)
where:
Base-Base interactions energy: -98.157
where: short stacking energy: -49.846
Base-Backbone interact. energy: -0.177
local terms energy: -60.340247
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -16.552
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -11.361
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. 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: -163.014737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.014737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.014737 (E_RNA)
where:
Base-Base interactions energy: -97.470
where: short stacking energy: -52.586
Base-Backbone interact. energy: -0.021
local terms energy: -65.523716
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -10.560
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: 3
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -144.346495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.346495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.346495 (E_RNA)
where:
Base-Base interactions energy: -89.845
where: short stacking energy: -48.837
Base-Backbone interact. energy: -0.018
local terms energy: -54.483472
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -7.267
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -12.392
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: 2
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -144.344634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.344634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.599622 (E_RNA)
where:
Base-Base interactions energy: -85.255
where: short stacking energy: -44.980
Base-Backbone interact. energy: 0.907
local terms energy: -60.251944
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -10.854
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: -14.926
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -139.462294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.462294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.553146 (E_RNA)
where:
Base-Base interactions energy: -81.288
where: short stacking energy: -52.223
Base-Backbone interact. energy: -0.556
local terms energy: -57.708739
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -5.966
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -12.850
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -124.013672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.013672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.050811 (E_RNA)
where:
Base-Base interactions energy: -68.632
where: short stacking energy: -34.536
Base-Backbone interact. energy: -0.193
local terms energy: -55.226454
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -10.102
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -5.269
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -126.047495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.047495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.047669 (E_RNA)
where:
Base-Base interactions energy: -74.769
where: short stacking energy: -31.123
Base-Backbone interact. energy: -0.252
local terms energy: -51.026927
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -3.576
tors. eta vs tors. theta energy: -4.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -195.220606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.220606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.346612 (E_RNA)
where:
Base-Base interactions energy: -117.316
where: short stacking energy: -65.611
Base-Backbone interact. energy: -0.051
local terms energy: -77.979123
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -18.711
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -17.000
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -182.554188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.554188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.604702 (E_RNA)
where:
Base-Base interactions energy: -113.956
where: short stacking energy: -65.353
Base-Backbone interact. energy: -0.927
local terms energy: -67.721882
where:
bonds (distance) C4'-P energy: -9.697
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -16.640
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -181.868283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.868283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.932949 (E_RNA)
where:
Base-Base interactions energy: -106.809
where: short stacking energy: -62.630
Base-Backbone interact. energy: -1.296
local terms energy: -73.827808
where:
bonds (distance) C4'-P energy: -14.254
bonds (distance) P-C4' energy: -18.109
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -18.039
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -150.962936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.962936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.962936 (E_RNA)
where:
Base-Base interactions energy: -93.839
where: short stacking energy: -50.384
Base-Backbone interact. energy: 0.157
local terms energy: -57.280770
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -11.248
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -9.667
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -163.125146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.125146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.178917 (E_RNA)
where:
Base-Base interactions energy: -94.645
where: short stacking energy: -49.001
Base-Backbone interact. energy: -0.145
local terms energy: -68.389301
where:
bonds (distance) C4'-P energy: -18.059
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -11.352
Dist. restrs. and SS energy: 0.054 (S_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: 395
Temperature: 1.150000
Total energy: -141.203425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.203425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.300328 (E_RNA)
where:
Base-Base interactions energy: -92.383
where: short stacking energy: -45.507
Base-Backbone interact. energy: -0.035
local terms energy: -48.882715
where:
bonds (distance) C4'-P energy: -9.714
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -5.325
tors. eta vs tors. theta energy: -4.987
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -150.981128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.981128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.990882 (E_RNA)
where:
Base-Base interactions energy: -83.795
where: short stacking energy: -49.179
Base-Backbone interact. energy: -0.080
local terms energy: -67.115970
where:
bonds (distance) C4'-P energy: -18.416
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -9.229
Dist. restrs. and SS energy: 0.010 (S_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: 395
Temperature: 1.250000
Total energy: -141.567562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.567562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.567562 (E_RNA)
where:
Base-Base interactions energy: -83.975
where: short stacking energy: -44.985
Base-Backbone interact. energy: -0.016
local terms energy: -57.575982
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -10.160
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -141.575029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.575029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.891262 (E_RNA)
where:
Base-Base interactions energy: -82.983
where: short stacking energy: -40.756
Base-Backbone interact. energy: -0.245
local terms energy: -58.662846
where:
bonds (distance) C4'-P energy: -12.142
bonds (distance) P-C4' energy: -17.369
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -7.370
Dist. restrs. and SS energy: 0.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -118.041302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.041302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.330332 (E_RNA)
where:
Base-Base interactions energy: -74.579
where: short stacking energy: -31.396
Base-Backbone interact. energy: -0.844
local terms energy: -42.907062
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -9.681
flat angles P-C4'-P energy: -7.058
tors. eta vs tors. theta energy: -0.805
Dist. restrs. and SS energy: 0.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -180.329743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.329743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.612739 (E_RNA)
where:
Base-Base interactions energy: -108.919
where: short stacking energy: -52.680
Base-Backbone interact. energy: -0.201
local terms energy: -71.492572
where:
bonds (distance) C4'-P energy: -17.455
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -17.537
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -9.346
Dist. restrs. and SS energy: 0.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -179.816080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.816080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.136539 (E_RNA)
where:
Base-Base interactions energy: -107.423
where: short stacking energy: -58.794
Base-Backbone interact. energy: -0.653
local terms energy: -72.060744
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -17.301
Dist. restrs. and SS energy: 0.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -174.940788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.940788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.940788 (E_RNA)
where:
Base-Base interactions energy: -101.798
where: short stacking energy: -63.409
Base-Backbone interact. energy: 1.916
local terms energy: -75.058312
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -12.949
tors. eta vs tors. theta energy: -16.845
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: 4, replica: 6
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -152.771439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.771439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.856122 (E_RNA)
where:
Base-Base interactions energy: -86.866
where: short stacking energy: -43.037
Base-Backbone interact. energy: -0.122
local terms energy: -65.867818
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -10.274
Dist. restrs. and SS energy: 0.085 (S_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: 396
Temperature: 1.100000
Total energy: -169.591581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.591581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.639553 (E_RNA)
where:
Base-Base interactions energy: -104.706
where: short stacking energy: -62.128
Base-Backbone interact. energy: -0.003
local terms energy: -64.930453
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -11.235
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -157.340591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.340591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.340591 (E_RNA)
where:
Base-Base interactions energy: -88.690
where: short stacking energy: -48.425
Base-Backbone interact. energy: -0.539
local terms energy: -68.111773
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -12.955
tors. eta vs tors. theta energy: -11.257
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -152.542800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.542800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.665237 (E_RNA)
where:
Base-Base interactions energy: -87.465
where: short stacking energy: -39.238
Base-Backbone interact. energy: -0.097
local terms energy: -65.102926
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -14.255
tors. eta vs tors. theta energy: -9.619
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -157.017305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.017305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.464804 (E_RNA)
where:
Base-Base interactions energy: -90.387
where: short stacking energy: -52.090
Base-Backbone interact. energy: -0.200
local terms energy: -66.877855
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -15.739
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: -14.570
Dist. restrs. and SS energy: 0.447 (S_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: 396
Temperature: 1.300000
Total energy: -131.684427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.684427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.227762 (E_RNA)
where:
Base-Base interactions energy: -79.951
where: short stacking energy: -33.298
Base-Backbone interact. energy: -1.603
local terms energy: -50.674021
where:
bonds (distance) C4'-P energy: -16.788
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -10.822
flat angles P-C4'-P energy: -5.438
tors. eta vs tors. theta energy: -5.119
Dist. restrs. and SS energy: 0.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -109.769913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.769913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.002196 (E_RNA)
where:
Base-Base interactions energy: -58.593
where: short stacking energy: -34.120
Base-Backbone interact. energy: -0.055
local terms energy: -51.354031
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -6.901
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -6.819
Dist. restrs. and SS energy: 0.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -184.891414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.891414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.018312 (E_RNA)
where:
Base-Base interactions energy: -116.828
where: short stacking energy: -63.203
Base-Backbone interact. energy: -0.323
local terms energy: -67.867903
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -15.806
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -185.537927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.537927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.548851 (E_RNA)
where:
Base-Base interactions energy: -108.983
where: short stacking energy: -56.109
Base-Backbone interact. energy: -0.060
local terms energy: -76.505389
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -14.359
tors. eta vs tors. theta energy: -14.743
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -170.300739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.300739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.300739 (E_RNA)
where:
Base-Base interactions energy: -109.493
where: short stacking energy: -66.478
Base-Backbone interact. energy: -0.028
local terms energy: -60.780211
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -8.020
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: 4, replica: 2
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -162.981961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.981961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.297852 (E_RNA)
where:
Base-Base interactions energy: -99.622
where: short stacking energy: -59.176
Base-Backbone interact. energy: -0.013
local terms energy: -63.662684
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -11.238
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -11.436
Dist. restrs. and SS energy: 0.316 (S_DIST_RNA)
chem. 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: -155.950553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.950553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.402126 (E_RNA)
where:
Base-Base interactions energy: -97.668
where: short stacking energy: -50.404
Base-Backbone interact. energy: 1.295
local terms energy: -60.029274
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -16.867
flat angles C4'-P-C4' energy: -10.381
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: -10.212
Dist. restrs. and SS energy: 0.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -157.535652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.535652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.804825 (E_RNA)
where:
Base-Base interactions energy: -99.922
where: short stacking energy: -52.850
Base-Backbone interact. energy: -0.234
local terms energy: -57.648634
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -8.123
Dist. restrs. and SS energy: 0.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -133.473447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.473447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.473447 (E_RNA)
where:
Base-Base interactions energy: -90.863
where: short stacking energy: -46.169
Base-Backbone interact. energy: 1.216
local terms energy: -43.826547
where:
bonds (distance) C4'-P energy: -12.768
bonds (distance) P-C4' energy: -16.807
flat angles C4'-P-C4' energy: -5.421
flat angles P-C4'-P energy: -1.798
tors. eta vs tors. theta energy: -7.033
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: 4
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -155.140652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.140652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.304483 (E_RNA)
where:
Base-Base interactions energy: -92.862
where: short stacking energy: -48.535
Base-Backbone interact. energy: -0.043
local terms energy: -62.399499
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -11.109
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -11.561
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -133.875908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.875908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.905365 (E_RNA)
where:
Base-Base interactions energy: -72.625
where: short stacking energy: -37.402
Base-Backbone interact. energy: 2.222
local terms energy: -63.502692
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -9.870
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -117.845926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.845926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.848683 (E_RNA)
where:
Base-Base interactions energy: -70.200
where: short stacking energy: -47.381
Base-Backbone interact. energy: -0.090
local terms energy: -47.558592
where:
bonds (distance) C4'-P energy: -10.316
bonds (distance) P-C4' energy: -6.345
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -7.964
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -194.417650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.417650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.540030 (E_RNA)
where:
Base-Base interactions energy: -110.554
where: short stacking energy: -64.449
Base-Backbone interact. energy: -0.094
local terms energy: -83.892462
where:
bonds (distance) C4'-P energy: -14.561
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -14.663
tors. eta vs tors. theta energy: -19.355
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -190.282758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.282758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.674920 (E_RNA)
where:
Base-Base interactions energy: -113.137
where: short stacking energy: -64.770
Base-Backbone interact. energy: -0.140
local terms energy: -77.397533
where:
bonds (distance) C4'-P energy: -15.140
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -18.850
Dist. restrs. and SS energy: 0.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -190.675159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.675159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.718512 (E_RNA)
where:
Base-Base interactions energy: -115.763
where: short stacking energy: -67.195
Base-Backbone interact. energy: -0.002
local terms energy: -74.954147
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -12.076
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -20.332
Dist. restrs. and SS energy: 0.043 (S_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: 398
Temperature: 1.050000
Total energy: -161.553650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.553650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.561695 (E_RNA)
where:
Base-Base interactions energy: -95.473
where: short stacking energy: -52.989
Base-Backbone interact. energy: 1.367
local terms energy: -67.456055
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -12.692
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -173.418371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.418371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.432726 (E_RNA)
where:
Base-Base interactions energy: -108.019
where: short stacking energy: -63.703
Base-Backbone interact. energy: -0.154
local terms energy: -65.259565
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -15.701
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -146.436672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.436672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.463287 (E_RNA)
where:
Base-Base interactions energy: -81.937
where: short stacking energy: -43.110
Base-Backbone interact. energy: -0.096
local terms energy: -64.430505
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -10.707
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -11.571
Dist. restrs. and SS energy: 0.027 (S_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: 398
Temperature: 1.200000
Total energy: -152.832515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.832515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.392086 (E_RNA)
where:
Base-Base interactions energy: -83.991
where: short stacking energy: -47.649
Base-Backbone interact. energy: -0.089
local terms energy: -69.312524
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -6.381
tors. eta vs tors. theta energy: -16.846
Dist. restrs. and SS energy: 0.560 (S_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: 398
Temperature: 1.250000
Total energy: -144.633993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.633993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.713312 (E_RNA)
where:
Base-Base interactions energy: -85.486
where: short stacking energy: -42.071
Base-Backbone interact. energy: -0.285
local terms energy: -58.942569
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -11.825
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -9.505
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -114.389102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.389102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.710460 (E_RNA)
where:
Base-Base interactions energy: -67.367
where: short stacking energy: -38.720
Base-Backbone interact. energy: -0.050
local terms energy: -47.293624
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -8.510
flat angles P-C4'-P energy: -2.502
tors. eta vs tors. theta energy: -8.425
Dist. restrs. and SS energy: 0.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -124.480350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.480350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.528571 (E_RNA)
where:
Base-Base interactions energy: -74.669
where: short stacking energy: -34.195
Base-Backbone interact. energy: -0.102
local terms energy: -49.757163
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -12.794
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -5.425
tors. eta vs tors. theta energy: -4.617
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -187.712997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.712997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.451764 (E_RNA)
where:
Base-Base interactions energy: -114.684
where: short stacking energy: -63.732
Base-Backbone interact. energy: -0.357
local terms energy: -73.410678
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -15.573
Dist. restrs. and SS energy: 0.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -196.296827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.296827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.617978 (E_RNA)
where:
Base-Base interactions energy: -118.208
where: short stacking energy: -63.183
Base-Backbone interact. energy: -0.006
local terms energy: -78.404405
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -19.479
Dist. restrs. and SS energy: 0.321 (S_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: 399
Temperature: 1.000000
Total energy: -190.505763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.505763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.604223 (E_RNA)
where:
Base-Base interactions energy: -112.428
where: short stacking energy: -67.446
Base-Backbone interact. energy: -0.124
local terms energy: -78.052036
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -18.285
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -166.439592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.439592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.516753 (E_RNA)
where:
Base-Base interactions energy: -92.704
where: short stacking energy: -43.034
Base-Backbone interact. energy: -0.105
local terms energy: -73.707573
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -12.506
Dist. restrs. and SS energy: 0.077 (S_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: 399
Temperature: 1.100000
Total energy: -177.608101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.608101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.608101 (E_RNA)
where:
Base-Base interactions energy: -106.463
where: short stacking energy: -67.532
Base-Backbone interact. energy: -0.024
local terms energy: -71.120504
where:
bonds (distance) C4'-P energy: -9.332
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -19.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -155.716265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.716265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.833623 (E_RNA)
where:
Base-Base interactions energy: -90.982
where: short stacking energy: -45.087
Base-Backbone interact. energy: -0.089
local terms energy: -64.761805
where:
bonds (distance) C4'-P energy: -14.833
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -6.536
tors. eta vs tors. theta energy: -10.690
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -156.542113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.542113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.717841 (E_RNA)
where:
Base-Base interactions energy: -94.391
where: short stacking energy: -50.086
Base-Backbone interact. energy: -0.002
local terms energy: -62.324756
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -9.082
Dist. restrs. and SS energy: 0.176 (S_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: 399
Temperature: 1.250000
Total energy: -151.078053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.078053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.078053 (E_RNA)
where:
Base-Base interactions energy: -82.674
where: short stacking energy: -50.565
Base-Backbone interact. energy: -0.007
local terms energy: -68.397012
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -19.346
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -9.929
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: 1
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -142.451643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.451643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.454880 (E_RNA)
where:
Base-Base interactions energy: -83.825
where: short stacking energy: -37.655
Base-Backbone interact. energy: -0.068
local terms energy: -58.562114
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -9.694
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -6.413
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -129.689404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.689404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.702514 (E_RNA)
where:
Base-Base interactions energy: -79.759
where: short stacking energy: -41.157
Base-Backbone interact. energy: -0.339
local terms energy: -49.604129
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -5.491
tors. eta vs tors. theta energy: -6.240
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -200.256133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.256133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.404051 (E_RNA)
where:
Base-Base interactions energy: -122.099
where: short stacking energy: -72.174
Base-Backbone interact. energy: -0.009
local terms energy: -78.296303
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -17.363
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -20.899
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. 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: -183.025977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.025977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.104176 (E_RNA)
where:
Base-Base interactions energy: -113.027
where: short stacking energy: -62.443
Base-Backbone interact. energy: -0.307
local terms energy: -69.770911
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -16.412
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -179.926517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.926517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.998013 (E_RNA)
where:
Base-Base interactions energy: -108.451
where: short stacking energy: -53.413
Base-Backbone interact. energy: 0.657
local terms energy: -72.204563
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -16.202
Dist. restrs. and SS energy: 0.071 (S_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: 400
Temperature: 1.050000
Total energy: -166.967238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.967238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.956099 (E_RNA)
where:
Base-Base interactions energy: -99.472
where: short stacking energy: -58.019
Base-Backbone interact. energy: -0.150
local terms energy: -68.334235
where:
bonds (distance) C4'-P energy: -13.025
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -11.999
Dist. restrs. and SS energy: 0.989 (S_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: 400
Temperature: 1.100000
Total energy: -179.277060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.277060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.277060 (E_RNA)
where:
Base-Base interactions energy: -108.017
where: short stacking energy: -64.140
Base-Backbone interact. energy: -0.857
local terms energy: -70.402460
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -9.674
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -18.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -155.737813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.737813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.737813 (E_RNA)
where:
Base-Base interactions energy: -96.642
where: short stacking energy: -50.919
Base-Backbone interact. energy: -0.018
local terms energy: -59.077954
where:
bonds (distance) C4'-P energy: -9.825
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -6.952
tors. eta vs tors. theta energy: -14.593
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -150.353348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.353348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.364498 (E_RNA)
where:
Base-Base interactions energy: -94.798
where: short stacking energy: -53.235
Base-Backbone interact. energy: 0.113
local terms energy: -55.679535
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -8.242
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -12.263
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -127.777283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.777283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.777283 (E_RNA)
where:
Base-Base interactions energy: -78.303
where: short stacking energy: -41.056
Base-Backbone interact. energy: 0.048
local terms energy: -49.521976
where:
bonds (distance) C4'-P energy: -13.318
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -9.826
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: -6.839
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -132.853514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.853514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.888910 (E_RNA)
where:
Base-Base interactions energy: -79.120
where: short stacking energy: -43.438
Base-Backbone interact. energy: 7.526
local terms energy: -61.295479
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -6.192
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -128.416304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.416304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.461115 (E_RNA)
where:
Base-Base interactions energy: -66.395
where: short stacking energy: -35.353
Base-Backbone interact. energy: -0.131
local terms energy: -61.934260
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -8.192
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -184.207823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.207823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.244630 (E_RNA)
where:
Base-Base interactions energy: -108.522
where: short stacking energy: -55.806
Base-Backbone interact. energy: 0.367
local terms energy: -76.089781
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -17.281
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. 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: -185.441219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.441219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.849745 (E_RNA)
where:
Base-Base interactions energy: -117.111
where: short stacking energy: -64.861
Base-Backbone interact. energy: -0.114
local terms energy: -68.624211
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -15.387
Dist. restrs. and SS energy: 0.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -180.269650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.269650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.468808 (E_RNA)
where:
Base-Base interactions energy: -113.491
where: short stacking energy: -55.275
Base-Backbone interact. energy: -0.001
local terms energy: -66.976970
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -6.109
tors. eta vs tors. theta energy: -16.934
Dist. restrs. and SS energy: 0.199 (S_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: 401
Temperature: 1.050000
Total energy: -173.013337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.013337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.053348 (E_RNA)
where:
Base-Base interactions energy: -102.251
where: short stacking energy: -56.970
Base-Backbone interact. energy: -0.002
local terms energy: -70.800529
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -15.208
Dist. restrs. and SS energy: 0.040 (S_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: 401
Temperature: 1.100000
Total energy: -177.940633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.940633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.324597 (E_RNA)
where:
Base-Base interactions energy: -109.234
where: short stacking energy: -56.999
Base-Backbone interact. energy: -0.072
local terms energy: -69.018681
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -14.960
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -12.673
Dist. restrs. and SS energy: 0.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -165.848801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.848801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.848801 (E_RNA)
where:
Base-Base interactions energy: -103.029
where: short stacking energy: -61.805
Base-Backbone interact. energy: 2.814
local terms energy: -65.633863
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -14.973
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -158.046841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.046841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.083652 (E_RNA)
where:
Base-Base interactions energy: -87.829
where: short stacking energy: -50.192
Base-Backbone interact. energy: -0.325
local terms energy: -69.929070
where:
bonds (distance) C4'-P energy: -17.739
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -10.601
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -134.280046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.280046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.280046 (E_RNA)
where:
Base-Base interactions energy: -70.136
where: short stacking energy: -40.619
Base-Backbone interact. energy: -0.158
local terms energy: -63.985730
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -8.990
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: 6
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -122.066956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.066956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.090550 (E_RNA)
where:
Base-Base interactions energy: -63.296
where: short stacking energy: -28.320
Base-Backbone interact. energy: 1.596
local terms energy: -60.390397
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -17.317
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: -8.600
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -119.237496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.237496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.237496 (E_RNA)
where:
Base-Base interactions energy: -66.078
where: short stacking energy: -36.612
Base-Backbone interact. energy: -0.300
local terms energy: -52.858824
where:
bonds (distance) C4'-P energy: -7.694
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -4.379
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: 9
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -189.244526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.244526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.291741 (E_RNA)
where:
Base-Base interactions energy: -112.592
where: short stacking energy: -59.319
Base-Backbone interact. energy: -0.093
local terms energy: -76.606354
where:
bonds (distance) C4'-P energy: -17.238
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -13.455
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. 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: -189.319365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.319365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.508438 (E_RNA)
where:
Base-Base interactions energy: -120.578
where: short stacking energy: -68.491
Base-Backbone interact. energy: -0.102
local terms energy: -68.828404
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -14.149
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -190.447099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.447099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.447099 (E_RNA)
where:
Base-Base interactions energy: -114.645
where: short stacking energy: -59.481
Base-Backbone interact. energy: -0.005
local terms energy: -75.797779
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -18.265
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -165.728057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.728057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.754634 (E_RNA)
where:
Base-Base interactions energy: -97.792
where: short stacking energy: -47.808
Base-Backbone interact. energy: -0.503
local terms energy: -67.459842
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -13.417
tors. eta vs tors. theta energy: -9.116
Dist. restrs. and SS energy: 0.027 (S_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: 402
Temperature: 1.100000
Total energy: -168.808854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.808854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.941042 (E_RNA)
where:
Base-Base interactions energy: -102.637
where: short stacking energy: -49.779
Base-Backbone interact. energy: -0.016
local terms energy: -66.288244
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -11.625
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -156.544023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.544023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.570748 (E_RNA)
where:
Base-Base interactions energy: -89.724
where: short stacking energy: -44.786
Base-Backbone interact. energy: 0.617
local terms energy: -67.463185
where:
bonds (distance) C4'-P energy: -10.033
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -9.987
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -133.747341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.747341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.747341 (E_RNA)
where:
Base-Base interactions energy: -77.535
where: short stacking energy: -48.391
Base-Backbone interact. energy: -0.244
local terms energy: -55.967717
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -5.832
tors. eta vs tors. theta energy: -7.798
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: 8, replica: 4
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -138.537142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.537142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.549301 (E_RNA)
where:
Base-Base interactions energy: -78.170
where: short stacking energy: -41.734
Base-Backbone interact. energy: -0.301
local terms energy: -60.078344
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -6.416
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -144.997414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.997414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.093871 (E_RNA)
where:
Base-Base interactions energy: -86.223
where: short stacking energy: -39.471
Base-Backbone interact. energy: -0.101
local terms energy: -58.769832
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -7.451
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -126.583913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.583913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.841861 (E_RNA)
where:
Base-Base interactions energy: -78.617
where: short stacking energy: -39.237
Base-Backbone interact. energy: -0.163
local terms energy: -48.062534
where:
bonds (distance) C4'-P energy: -8.392
bonds (distance) P-C4' energy: -9.782
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -4.571
tors. eta vs tors. theta energy: -10.005
Dist. restrs. and SS energy: 0.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -205.052307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.052307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.172083 (E_RNA)
where:
Base-Base interactions energy: -124.209
where: short stacking energy: -70.199
Base-Backbone interact. energy: -0.043
local terms energy: -80.919560
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -20.971
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -188.772111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.772111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.877652 (E_RNA)
where:
Base-Base interactions energy: -114.528
where: short stacking energy: -64.813
Base-Backbone interact. energy: -0.010
local terms energy: -74.340430
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -19.089
Dist. restrs. and SS energy: 0.106 (S_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: 403
Temperature: 1.000000
Total energy: -184.079797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.079797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.087330 (E_RNA)
where:
Base-Base interactions energy: -112.980
where: short stacking energy: -68.145
Base-Backbone interact. energy: -0.217
local terms energy: -70.890450
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -17.690
Dist. restrs. and SS energy: 0.008 (S_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: 403
Temperature: 1.050000
Total energy: -170.617342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.617342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.796907 (E_RNA)
where:
Base-Base interactions energy: -97.776
where: short stacking energy: -52.645
Base-Backbone interact. energy: -0.055
local terms energy: -72.965991
where:
bonds (distance) C4'-P energy: -15.405
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -16.929
Dist. restrs. and SS energy: 0.180 (S_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: 403
Temperature: 1.100000
Total energy: -160.121922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.121922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.121922 (E_RNA)
where:
Base-Base interactions energy: -90.224
where: short stacking energy: -48.076
Base-Backbone interact. energy: -0.448
local terms energy: -69.449738
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -14.652
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -169.896715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.896715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.916517 (E_RNA)
where:
Base-Base interactions energy: -99.424
where: short stacking energy: -52.519
Base-Backbone interact. energy: -0.008
local terms energy: -70.484650
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -13.726
tors. eta vs tors. theta energy: -12.976
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -142.668659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.668659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.695858 (E_RNA)
where:
Base-Base interactions energy: -83.808
where: short stacking energy: -45.410
Base-Backbone interact. energy: -0.130
local terms energy: -58.757976
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -12.533
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -8.696
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -121.958302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.958302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.981131 (E_RNA)
where:
Base-Base interactions energy: -66.176
where: short stacking energy: -29.741
Base-Backbone interact. energy: -0.111
local terms energy: -55.694041
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -1.056
Dist. restrs. and SS energy: 0.023 (S_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: 403
Temperature: 1.300000
Total energy: -135.359494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.359494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.557274 (E_RNA)
where:
Base-Base interactions energy: -81.801
where: short stacking energy: -36.830
Base-Backbone interact. energy: -0.246
local terms energy: -53.510625
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -10.024
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -6.979
Dist. restrs. and SS energy: 0.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -116.040008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.040008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.344824 (E_RNA)
where:
Base-Base interactions energy: -58.473
where: short stacking energy: -38.562
Base-Backbone interact. energy: -0.120
local terms energy: -57.751714
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -8.420
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -9.692
Dist. restrs. and SS energy: 0.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -195.921783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.921783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.279637 (E_RNA)
where:
Base-Base interactions energy: -118.783
where: short stacking energy: -65.786
Base-Backbone interact. energy: 0.172
local terms energy: -77.668993
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -16.649
Dist. restrs. and SS energy: 0.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -191.907004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.907004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.907004 (E_RNA)
where:
Base-Base interactions energy: -118.330
where: short stacking energy: -54.454
Base-Backbone interact. energy: -0.012
local terms energy: -73.564879
where:
bonds (distance) C4'-P energy: -9.278
bonds (distance) P-C4' energy: -19.522
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -20.027
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: 3, replica: 7
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -175.735458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.735458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.979099 (E_RNA)
where:
Base-Base interactions energy: -102.423
where: short stacking energy: -54.656
Base-Backbone interact. energy: -0.003
local terms energy: -73.552989
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -10.861
Dist. restrs. and SS energy: 0.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -175.724345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.724345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.802092 (E_RNA)
where:
Base-Base interactions energy: -102.770
where: short stacking energy: -60.713
Base-Backbone interact. energy: -0.014
local terms energy: -73.017929
where:
bonds (distance) C4'-P energy: -11.099
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -16.604
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -165.532573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.532573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.703914 (E_RNA)
where:
Base-Base interactions energy: -104.504
where: short stacking energy: -56.066
Base-Backbone interact. energy: 2.053
local terms energy: -63.252507
where:
bonds (distance) C4'-P energy: -13.124
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -10.613
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -16.662
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -145.733184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.733184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.733184 (E_RNA)
where:
Base-Base interactions energy: -90.799
where: short stacking energy: -56.702
Base-Backbone interact. energy: -0.280
local terms energy: -54.654072
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -11.131
flat angles P-C4'-P energy: -1.735
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: 7, replica: 6
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -128.041598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.041598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.041598 (E_RNA)
where:
Base-Base interactions energy: -67.131
where: short stacking energy: -40.793
Base-Backbone interact. energy: -0.103
local terms energy: -60.807636
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -5.523
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -124.128495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.128495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.170403 (E_RNA)
where:
Base-Base interactions energy: -69.697
where: short stacking energy: -35.561
Base-Backbone interact. energy: -0.140
local terms energy: -54.332614
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -3.860
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -127.210608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.210608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.244325 (E_RNA)
where:
Base-Base interactions energy: -71.684
where: short stacking energy: -34.683
Base-Backbone interact. energy: -0.076
local terms energy: -55.484721
where:
bonds (distance) C4'-P energy: -9.200
bonds (distance) P-C4' energy: -17.565
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -5.736
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. 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: -126.254685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.254685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.271646 (E_RNA)
where:
Base-Base interactions energy: -72.518
where: short stacking energy: -44.720
Base-Backbone interact. energy: -0.186
local terms energy: -53.567741
where:
bonds (distance) C4'-P energy: -7.449
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -4.666
tors. eta vs tors. theta energy: -10.813
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -195.541019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.541019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.560152 (E_RNA)
where:
Base-Base interactions energy: -112.849
where: short stacking energy: -64.470
Base-Backbone interact. energy: -0.003
local terms energy: -82.708462
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -18.117
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -18.188
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -174.886058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.886058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.555477 (E_RNA)
where:
Base-Base interactions energy: -107.004
where: short stacking energy: -64.377
Base-Backbone interact. energy: -0.031
local terms energy: -68.520545
where:
bonds (distance) C4'-P energy: -16.258
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -4.345
tors. eta vs tors. theta energy: -18.576
Dist. restrs. and SS energy: 0.669 (S_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: 405
Temperature: 1.000000
Total energy: -171.760254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.760254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.044299 (E_RNA)
where:
Base-Base interactions energy: -99.356
where: short stacking energy: -58.251
Base-Backbone interact. energy: -0.005
local terms energy: -72.683768
where:
bonds (distance) C4'-P energy: -10.789
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -15.218
tors. eta vs tors. theta energy: -14.201
Dist. restrs. and SS energy: 0.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -167.164664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.164664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.190826 (E_RNA)
where:
Base-Base interactions energy: -98.264
where: short stacking energy: -62.524
Base-Backbone interact. energy: -0.533
local terms energy: -68.393923
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -13.836
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -157.794719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.794719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.884775 (E_RNA)
where:
Base-Base interactions energy: -90.461
where: short stacking energy: -49.815
Base-Backbone interact. energy: -0.266
local terms energy: -67.157309
where:
bonds (distance) C4'-P energy: -11.629
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -12.525
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -153.514588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.514588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.538688 (E_RNA)
where:
Base-Base interactions energy: -76.695
where: short stacking energy: -43.851
Base-Backbone interact. energy: -0.090
local terms energy: -76.752854
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -15.292
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. 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: -160.763057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.763057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.763057 (E_RNA)
where:
Base-Base interactions energy: -97.697
where: short stacking energy: -48.184
Base-Backbone interact. energy: -0.389
local terms energy: -62.676834
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -9.911
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -14.115
tors. eta vs tors. theta energy: -11.065
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: 3
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -141.576505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.576505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.617395 (E_RNA)
where:
Base-Base interactions energy: -84.182
where: short stacking energy: -40.750
Base-Backbone interact. energy: 0.462
local terms energy: -57.897291
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -12.027
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -6.981
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -137.892527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.892527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.989539 (E_RNA)
where:
Base-Base interactions energy: -73.840
where: short stacking energy: -45.009
Base-Backbone interact. energy: -0.107
local terms energy: -64.042549
where:
bonds (distance) C4'-P energy: -18.130
bonds (distance) P-C4' energy: -17.620
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -4.839
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. 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: -139.819989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.819989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.824982 (E_RNA)
where:
Base-Base interactions energy: -81.844
where: short stacking energy: -50.794
Base-Backbone interact. energy: -0.067
local terms energy: -57.913057
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -10.159
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -196.404962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.404962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.404962 (E_RNA)
where:
Base-Base interactions energy: -125.804
where: short stacking energy: -66.148
Base-Backbone interact. energy: -0.077
local terms energy: -70.523570
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -11.960
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -13.518
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -192.043025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.043025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.059141 (E_RNA)
where:
Base-Base interactions energy: -117.755
where: short stacking energy: -72.614
Base-Backbone interact. energy: -0.003
local terms energy: -74.301043
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -19.962
Dist. restrs. and SS energy: 0.016 (S_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: 406
Temperature: 1.000000
Total energy: -172.573397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.573397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.573397 (E_RNA)
where:
Base-Base interactions energy: -98.904
where: short stacking energy: -53.252
Base-Backbone interact. energy: -0.068
local terms energy: -73.601784
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -16.510
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: 2
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -171.946626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.946626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.179415 (E_RNA)
where:
Base-Base interactions energy: -108.696
where: short stacking energy: -50.694
Base-Backbone interact. energy: -0.177
local terms energy: -63.306620
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -14.993
Dist. restrs. and SS energy: 0.233 (S_DIST_RNA)
chem. 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: -167.706123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.706123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.307598 (E_RNA)
where:
Base-Base interactions energy: -104.754
where: short stacking energy: -52.459
Base-Backbone interact. energy: -0.231
local terms energy: -63.323073
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -10.494
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -11.117
Dist. restrs. and SS energy: 0.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -147.778243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.778243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.808158 (E_RNA)
where:
Base-Base interactions energy: -88.820
where: short stacking energy: -50.739
Base-Backbone interact. energy: 2.050
local terms energy: -61.038019
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -10.620
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -11.600
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. 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: -138.551614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.551614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.978393 (E_RNA)
where:
Base-Base interactions energy: -85.095
where: short stacking energy: -44.173
Base-Backbone interact. energy: -0.180
local terms energy: -53.702611
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -9.329
flat angles C4'-P-C4' energy: -12.448
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -10.273
Dist. restrs. and SS energy: 0.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -131.013847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.013847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.072546 (E_RNA)
where:
Base-Base interactions energy: -78.102
where: short stacking energy: -36.143
Base-Backbone interact. energy: -0.168
local terms energy: -52.802576
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -9.119
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -4.728
Dist. restrs. and SS energy: 0.059 (S_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: 406
Temperature: 1.300000
Total energy: -146.995067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.995067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.038911 (E_RNA)
where:
Base-Base interactions energy: -87.803
where: short stacking energy: -53.875
Base-Backbone interact. energy: -0.764
local terms energy: -58.472609
where:
bonds (distance) C4'-P energy: -7.022
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -12.800
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -119.500438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.500438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.521216 (E_RNA)
where:
Base-Base interactions energy: -59.573
where: short stacking energy: -27.909
Base-Backbone interact. energy: -0.453
local terms energy: -59.494951
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -5.992
tors. eta vs tors. theta energy: -5.980
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -206.845200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.845200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.845200 (E_RNA)
where:
Base-Base interactions energy: -128.065
where: short stacking energy: -70.660
Base-Backbone interact. energy: -0.025
local terms energy: -78.754800
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -19.336
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: 9
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -182.108715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.108715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.128698 (E_RNA)
where:
Base-Base interactions energy: -106.380
where: short stacking energy: -67.696
Base-Backbone interact. energy: -0.213
local terms energy: -75.536043
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -15.386
Dist. restrs. and SS energy: 0.020 (S_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: 407
Temperature: 1.000000
Total energy: -171.804133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.804133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.820991 (E_RNA)
where:
Base-Base interactions energy: -101.097
where: short stacking energy: -57.384
Base-Backbone interact. energy: -0.001
local terms energy: -70.723298
where:
bonds (distance) C4'-P energy: -17.996
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -12.296
Dist. restrs. and SS energy: 0.017 (S_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: 407
Temperature: 1.050000
Total energy: -183.307678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.307678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.307678 (E_RNA)
where:
Base-Base interactions energy: -110.855
where: short stacking energy: -66.768
Base-Backbone interact. energy: -0.048
local terms energy: -72.405067
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -21.647
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: 5, replica: 6
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -156.894798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.894798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.961267 (E_RNA)
where:
Base-Base interactions energy: -91.756
where: short stacking energy: -52.861
Base-Backbone interact. energy: -0.279
local terms energy: -64.926312
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -12.458
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -145.489647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.489647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.665547 (E_RNA)
where:
Base-Base interactions energy: -84.242
where: short stacking energy: -46.380
Base-Backbone interact. energy: -0.024
local terms energy: -61.399555
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -13.709
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. 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: -149.540257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.540257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.561960 (E_RNA)
where:
Base-Base interactions energy: -81.343
where: short stacking energy: -42.708
Base-Backbone interact. energy: -0.484
local terms energy: -67.735445
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -17.487
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -8.819
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -145.452736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.452736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.056540 (E_RNA)
where:
Base-Base interactions energy: -86.587
where: short stacking energy: -49.490
Base-Backbone interact. energy: -0.054
local terms energy: -59.415608
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -7.001
tors. eta vs tors. theta energy: -8.626
Dist. restrs. and SS energy: 0.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -144.713505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.713505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.716622 (E_RNA)
where:
Base-Base interactions energy: -80.773
where: short stacking energy: -42.888
Base-Backbone interact. energy: 0.209
local terms energy: -64.152535
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -11.258
flat angles P-C4'-P energy: -6.459
tors. eta vs tors. theta energy: -12.939
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -131.159106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.159106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.172310 (E_RNA)
where:
Base-Base interactions energy: -76.982
where: short stacking energy: -41.214
Base-Backbone interact. energy: -0.188
local terms energy: -54.002280
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -10.151
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -5.680
tors. eta vs tors. theta energy: -13.499
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -195.043866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.043866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.229508 (E_RNA)
where:
Base-Base interactions energy: -120.656
where: short stacking energy: -69.605
Base-Backbone interact. energy: -0.200
local terms energy: -74.374035
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -11.287
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -21.323
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -197.320997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.320997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.320997 (E_RNA)
where:
Base-Base interactions energy: -116.810
where: short stacking energy: -69.767
Base-Backbone interact. energy: -0.379
local terms energy: -80.132407
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -20.241
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -179.275866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.275866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.345423 (E_RNA)
where:
Base-Base interactions energy: -102.461
where: short stacking energy: -59.269
Base-Backbone interact. energy: -0.544
local terms energy: -76.340123
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -17.971
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -17.335
Dist. restrs. and SS energy: 0.070 (S_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: 408
Temperature: 1.050000
Total energy: -174.103341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.103341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.116763 (E_RNA)
where:
Base-Base interactions energy: -100.025
where: short stacking energy: -60.363
Base-Backbone interact. energy: -0.000
local terms energy: -74.091723
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -17.563
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -165.401570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.401570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.401570 (E_RNA)
where:
Base-Base interactions energy: -103.983
where: short stacking energy: -52.258
Base-Backbone interact. energy: -0.110
local terms energy: -61.308277
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -10.981
flat angles P-C4'-P energy: -12.811
tors. eta vs tors. theta energy: -8.355
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -153.733766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.733766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.378727 (E_RNA)
where:
Base-Base interactions energy: -89.819
where: short stacking energy: -49.677
Base-Backbone interact. energy: -0.076
local terms energy: -64.483906
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -7.113
Dist. restrs. and SS energy: 0.645 (S_DIST_RNA)
chem. 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: -134.994406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.994406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.106767 (E_RNA)
where:
Base-Base interactions energy: -81.557
where: short stacking energy: -39.802
Base-Backbone interact. energy: -0.318
local terms energy: -53.231022
where:
bonds (distance) C4'-P energy: -9.701
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -6.621
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -7.455
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -137.018656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.018656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.018656 (E_RNA)
where:
Base-Base interactions energy: -80.229
where: short stacking energy: -51.987
Base-Backbone interact. energy: -0.503
local terms energy: -56.287135
where:
bonds (distance) C4'-P energy: -18.631
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -11.326
flat angles P-C4'-P energy: -4.495
tors. eta vs tors. theta energy: -10.588
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -137.260674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.260674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.260674 (E_RNA)
where:
Base-Base interactions energy: -86.386
where: short stacking energy: -34.391
Base-Backbone interact. energy: -0.182
local terms energy: -50.692180
where:
bonds (distance) C4'-P energy: -7.580
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -4.164
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -119.358396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.358396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.358396 (E_RNA)
where:
Base-Base interactions energy: -68.428
where: short stacking energy: -33.723
Base-Backbone interact. energy: -0.150
local terms energy: -50.780934
where:
bonds (distance) C4'-P energy: -16.112
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -10.680
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -2.635
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: 1, replica: 9
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -198.134844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.134844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.134844 (E_RNA)
where:
Base-Base interactions energy: -118.585
where: short stacking energy: -71.420
Base-Backbone interact. energy: -0.000
local terms energy: -79.549768
where:
bonds (distance) C4'-P energy: -17.078
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -17.808
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -19.457
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: 8
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -185.001547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.001547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.211966 (E_RNA)
where:
Base-Base interactions energy: -106.105
where: short stacking energy: -52.556
Base-Backbone interact. energy: -0.000
local terms energy: -79.106255
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -14.394
tors. eta vs tors. theta energy: -18.295
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -175.609110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.609110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.637185 (E_RNA)
where:
Base-Base interactions energy: -108.421
where: short stacking energy: -58.489
Base-Backbone interact. energy: -0.522
local terms energy: -66.694121
where:
bonds (distance) C4'-P energy: -9.593
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -18.843
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -14.820
Dist. restrs. and SS energy: 0.028 (S_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: 409
Temperature: 1.050000
Total energy: -170.171741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.171741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.171741 (E_RNA)
where:
Base-Base interactions energy: -101.836
where: short stacking energy: -62.893
Base-Backbone interact. energy: -0.099
local terms energy: -68.235806
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -9.925
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -15.106
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: 10
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -162.807424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.807424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.825633 (E_RNA)
where:
Base-Base interactions energy: -98.066
where: short stacking energy: -47.451
Base-Backbone interact. energy: -0.018
local terms energy: -64.742081
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -6.851
tors. eta vs tors. theta energy: -14.581
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -144.455259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.455259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.455305 (E_RNA)
where:
Base-Base interactions energy: -81.872
where: short stacking energy: -39.643
Base-Backbone interact. energy: -0.106
local terms energy: -62.476832
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -8.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -122.556336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.556336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.556336 (E_RNA)
where:
Base-Base interactions energy: -70.911
where: short stacking energy: -34.528
Base-Backbone interact. energy: -0.078
local terms energy: -51.567275
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -11.494
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: 8, replica: 1
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -139.236132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.236132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.292892 (E_RNA)
where:
Base-Base interactions energy: -86.507
where: short stacking energy: -37.718
Base-Backbone interact. energy: -0.558
local terms energy: -52.228280
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -10.308
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -5.826
tors. eta vs tors. theta energy: -7.838
Dist. restrs. and SS energy: 0.057 (S_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: -135.974968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.974968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.974968 (E_RNA)
where:
Base-Base interactions energy: -76.440
where: short stacking energy: -36.454
Base-Backbone interact. energy: -0.089
local terms energy: -59.445952
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -8.468
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -136.230579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.230579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.412839 (E_RNA)
where:
Base-Base interactions energy: -84.412
where: short stacking energy: -41.878
Base-Backbone interact. energy: 2.154
local terms energy: -54.155261
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -6.347
tors. eta vs tors. theta energy: -9.421
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -187.139264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.139264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.167359 (E_RNA)
where:
Base-Base interactions energy: -117.061
where: short stacking energy: -62.993
Base-Backbone interact. energy: -0.012
local terms energy: -70.093972
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -16.559
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -188.702842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.702842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.702842 (E_RNA)
where:
Base-Base interactions energy: -107.223
where: short stacking energy: -62.104
Base-Backbone interact. energy: -0.013
local terms energy: -81.466394
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -16.472
flat angles C4'-P-C4' energy: -19.134
flat angles P-C4'-P energy: -12.745
tors. eta vs tors. theta energy: -17.010
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -171.939093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.939093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.939093 (E_RNA)
where:
Base-Base interactions energy: -101.413
where: short stacking energy: -53.800
Base-Backbone interact. energy: -0.233
local terms energy: -70.293227
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -11.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -172.855512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.855512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.929004 (E_RNA)
where:
Base-Base interactions energy: -97.253
where: short stacking energy: -58.369
Base-Backbone interact. energy: -0.066
local terms energy: -75.609908
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -15.695
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -151.905831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.905831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.905831 (E_RNA)
where:
Base-Base interactions energy: -84.239
where: short stacking energy: -52.842
Base-Backbone interact. energy: -1.417
local terms energy: -66.249305
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -13.966
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -146.373624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.373624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.373624 (E_RNA)
where:
Base-Base interactions energy: -80.720
where: short stacking energy: -48.625
Base-Backbone interact. energy: -0.124
local terms energy: -65.529597
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -8.118
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -154.954668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.954668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.227010 (E_RNA)
where:
Base-Base interactions energy: -97.177
where: short stacking energy: -50.788
Base-Backbone interact. energy: -0.192
local terms energy: -57.857644
where:
bonds (distance) C4'-P energy: -10.259
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -11.205
Dist. restrs. and SS energy: 0.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -127.947894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.947894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.989176 (E_RNA)
where:
Base-Base interactions energy: -73.965
where: short stacking energy: -40.726
Base-Backbone interact. energy: -0.446
local terms energy: -53.578343
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -9.857
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: -8.722
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -146.233346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.233346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.233346 (E_RNA)
where:
Base-Base interactions energy: -86.562
where: short stacking energy: -44.638
Base-Backbone interact. energy: -0.032
local terms energy: -59.638700
where:
bonds (distance) C4'-P energy: -10.802
bonds (distance) P-C4' energy: -11.365
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -10.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -118.722677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.722677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.983645 (E_RNA)
where:
Base-Base interactions energy: -69.654
where: short stacking energy: -28.060
Base-Backbone interact. energy: -0.332
local terms energy: -48.997074
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -5.197
tors. eta vs tors. theta energy: -3.125
Dist. restrs. and SS energy: 0.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -190.053106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.053106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.111218 (E_RNA)
where:
Base-Base interactions energy: -115.792
where: short stacking energy: -65.276
Base-Backbone interact. energy: 0.298
local terms energy: -74.617537
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -16.152
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -178.499534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.499534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.536353 (E_RNA)
where:
Base-Base interactions energy: -105.002
where: short stacking energy: -59.621
Base-Backbone interact. energy: -0.346
local terms energy: -73.189144
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -17.804
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -14.658
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -166.623285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.623285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.674349 (E_RNA)
where:
Base-Base interactions energy: -96.392
where: short stacking energy: -47.236
Base-Backbone interact. energy: -0.285
local terms energy: -69.997004
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -6.009
tors. eta vs tors. theta energy: -15.510
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -171.350453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.350453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.641591 (E_RNA)
where:
Base-Base interactions energy: -102.726
where: short stacking energy: -52.190
Base-Backbone interact. energy: -0.619
local terms energy: -68.296874
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -12.808
Dist. restrs. and SS energy: 0.291 (S_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: 411
Temperature: 1.100000
Total energy: -157.202431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.202431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.202431 (E_RNA)
where:
Base-Base interactions energy: -94.050
where: short stacking energy: -56.508
Base-Backbone interact. energy: 1.450
local terms energy: -64.602147
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -15.969
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -11.060
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: 411
Temperature: 1.150000
Total energy: -149.133602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.133602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.177608 (E_RNA)
where:
Base-Base interactions energy: -91.812
where: short stacking energy: -54.687
Base-Backbone interact. energy: -0.010
local terms energy: -57.355811
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -14.118
flat angles C4'-P-C4' energy: -7.910
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -10.537
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -155.218110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.218110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.218110 (E_RNA)
where:
Base-Base interactions energy: -85.874
where: short stacking energy: -47.114
Base-Backbone interact. energy: -0.565
local terms energy: -68.779447
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -19.126
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -11.983
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -137.378717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.378717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.754275 (E_RNA)
where:
Base-Base interactions energy: -88.355
where: short stacking energy: -43.406
Base-Backbone interact. energy: -0.099
local terms energy: -49.300245
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -5.785
tors. eta vs tors. theta energy: -3.004
Dist. restrs. and SS energy: 0.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -123.991768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.991768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.313710 (E_RNA)
where:
Base-Base interactions energy: -70.692
where: short stacking energy: -39.104
Base-Backbone interact. energy: -0.133
local terms energy: -53.488916
where:
bonds (distance) C4'-P energy: -13.322
bonds (distance) P-C4' energy: -9.840
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -6.918
tors. eta vs tors. theta energy: -8.625
Dist. restrs. and SS energy: 0.322 (S_DIST_RNA)
chem. 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: -114.405004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.405004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.589669 (E_RNA)
where:
Base-Base interactions energy: -66.152
where: short stacking energy: -34.853
Base-Backbone interact. energy: -0.400
local terms energy: -48.038077
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -9.407
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -1.383
Dist. restrs. and SS energy: 0.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -193.057679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.057679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.057679 (E_RNA)
where:
Base-Base interactions energy: -118.753
where: short stacking energy: -66.526
Base-Backbone interact. energy: -0.002
local terms energy: -74.302908
where:
bonds (distance) C4'-P energy: -17.020
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -5.449
tors. eta vs tors. theta energy: -21.042
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: 9
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -184.577954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.577954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.781291 (E_RNA)
where:
Base-Base interactions energy: -104.211
where: short stacking energy: -59.839
Base-Backbone interact. energy: -0.054
local terms energy: -80.516267
where:
bonds (distance) C4'-P energy: -15.662
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -18.591
flat angles P-C4'-P energy: -13.901
tors. eta vs tors. theta energy: -16.643
Dist. restrs. and SS energy: 0.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -191.644912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.644912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.898112 (E_RNA)
where:
Base-Base interactions energy: -114.719
where: short stacking energy: -65.974
Base-Backbone interact. energy: -0.004
local terms energy: -77.174421
where:
bonds (distance) C4'-P energy: -18.874
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -16.013
Dist. restrs. and SS energy: 0.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -163.508985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.508985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.545654 (E_RNA)
where:
Base-Base interactions energy: -92.179
where: short stacking energy: -48.385
Base-Backbone interact. energy: -0.189
local terms energy: -71.177703
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -13.440
Dist. restrs. and SS energy: 0.037 (S_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: 412
Temperature: 1.100000
Total energy: -175.922283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.922283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.925861 (E_RNA)
where:
Base-Base interactions energy: -101.052
where: short stacking energy: -65.642
Base-Backbone interact. energy: -0.141
local terms energy: -74.732405
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -17.427
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -143.626887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.626887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.626887 (E_RNA)
where:
Base-Base interactions energy: -79.681
where: short stacking energy: -45.977
Base-Backbone interact. energy: -0.617
local terms energy: -63.328863
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -10.846
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -13.716
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -132.900803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.900803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.900803 (E_RNA)
where:
Base-Base interactions energy: -81.393
where: short stacking energy: -43.663
Base-Backbone interact. energy: -0.180
local terms energy: -51.328340
where:
bonds (distance) C4'-P energy: -8.397
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -18.830
flat angles P-C4'-P energy: -5.341
tors. eta vs tors. theta energy: -1.670
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -134.440493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.440493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.440493 (E_RNA)
where:
Base-Base interactions energy: -80.797
where: short stacking energy: -34.912
Base-Backbone interact. energy: -0.687
local terms energy: -52.956701
where:
bonds (distance) C4'-P energy: -18.556
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -9.914
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: 0.199
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -121.370680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.370680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.619994 (E_RNA)
where:
Base-Base interactions energy: -62.291
where: short stacking energy: -33.766
Base-Backbone interact. energy: -0.162
local terms energy: -59.166938
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -4.575
Dist. restrs. and SS energy: 0.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -111.534544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.534544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.534544 (E_RNA)
where:
Base-Base interactions energy: -56.323
where: short stacking energy: -30.881
Base-Backbone interact. energy: -0.257
local terms energy: -54.955394
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -12.774
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -3.778
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: 8
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -189.218768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.218768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.298812 (E_RNA)
where:
Base-Base interactions energy: -118.626
where: short stacking energy: -68.612
Base-Backbone interact. energy: 0.040
local terms energy: -70.712446
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -11.771
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -19.662
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -186.888749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.888749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.178206 (E_RNA)
where:
Base-Base interactions energy: -115.344
where: short stacking energy: -62.744
Base-Backbone interact. energy: -0.237
local terms energy: -71.597637
where:
bonds (distance) C4'-P energy: -14.150
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -16.211
Dist. restrs. and SS energy: 0.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -194.148782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.148782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.148782 (E_RNA)
where:
Base-Base interactions energy: -122.647
where: short stacking energy: -69.503
Base-Backbone interact. energy: -0.002
local terms energy: -71.499673
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -16.807
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -186.936963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.936963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.936963 (E_RNA)
where:
Base-Base interactions energy: -110.272
where: short stacking energy: -71.559
Base-Backbone interact. energy: -0.157
local terms energy: -76.508073
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -22.000
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: 10
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -146.856951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.856951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.856951 (E_RNA)
where:
Base-Base interactions energy: -82.765
where: short stacking energy: -39.914
Base-Backbone interact. energy: 0.221
local terms energy: -64.312887
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -7.048
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -157.330299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.330299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.441074 (E_RNA)
where:
Base-Base interactions energy: -93.570
where: short stacking energy: -47.833
Base-Backbone interact. energy: -0.231
local terms energy: -63.640123
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -6.582
tors. eta vs tors. theta energy: -13.602
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. 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: -143.421471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.421471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.696198 (E_RNA)
where:
Base-Base interactions energy: -89.497
where: short stacking energy: -46.650
Base-Backbone interact. energy: -0.169
local terms energy: -54.029440
where:
bonds (distance) C4'-P energy: -11.322
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -3.222
tors. eta vs tors. theta energy: -7.677
Dist. restrs. and SS energy: 0.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -148.805324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.805324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.837351 (E_RNA)
where:
Base-Base interactions energy: -83.397
where: short stacking energy: -36.008
Base-Backbone interact. energy: -0.028
local terms energy: -65.413234
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -12.975
Dist. restrs. and SS energy: 0.032 (S_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: 413
Temperature: 1.300000
Total energy: -132.896484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.896484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.962366 (E_RNA)
where:
Base-Base interactions energy: -79.547
where: short stacking energy: -41.790
Base-Backbone interact. energy: 0.528
local terms energy: -53.944267
where:
bonds (distance) C4'-P energy: -10.105
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -11.579
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -8.091
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -133.472155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.472155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.551928 (E_RNA)
where:
Base-Base interactions energy: -71.881
where: short stacking energy: -34.810
Base-Backbone interact. energy: -0.233
local terms energy: -61.437561
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -5.166
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -211.631940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.631940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.777569 (E_RNA)
where:
Base-Base interactions energy: -130.669
where: short stacking energy: -76.711
Base-Backbone interact. energy: -0.037
local terms energy: -81.071044
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -20.086
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -197.342576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.342576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.342576 (E_RNA)
where:
Base-Base interactions energy: -111.850
where: short stacking energy: -67.259
Base-Backbone interact. energy: -0.005
local terms energy: -85.487406
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -16.313
flat angles C4'-P-C4' energy: -18.757
flat angles P-C4'-P energy: -13.918
tors. eta vs tors. theta energy: -21.413
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -163.415976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.415976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.415976 (E_RNA)
where:
Base-Base interactions energy: -89.728
where: short stacking energy: -54.747
Base-Backbone interact. energy: -0.142
local terms energy: -73.546045
where:
bonds (distance) C4'-P energy: -12.540
bonds (distance) P-C4' energy: -18.014
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -14.097
tors. eta vs tors. theta energy: -14.640
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -176.740748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.740748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.746708 (E_RNA)
where:
Base-Base interactions energy: -107.458
where: short stacking energy: -57.294
Base-Backbone interact. energy: -0.002
local terms energy: -69.286102
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -5.852
tors. eta vs tors. theta energy: -18.215
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. 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: -155.027264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.027264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.027264 (E_RNA)
where:
Base-Base interactions energy: -80.810
where: short stacking energy: -48.042
Base-Backbone interact. energy: -0.016
local terms energy: -74.200628
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -14.967
tors. eta vs tors. theta energy: -13.901
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: 10
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -151.088476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.088476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.088476 (E_RNA)
where:
Base-Base interactions energy: -83.938
where: short stacking energy: -48.351
Base-Backbone interact. energy: -0.852
local terms energy: -66.298958
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -6.096
tors. eta vs tors. theta energy: -9.627
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: 1
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -145.335929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.335929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.337325 (E_RNA)
where:
Base-Base interactions energy: -85.240
where: short stacking energy: -52.809
Base-Backbone interact. energy: -0.213
local terms energy: -59.884132
where:
bonds (distance) C4'-P energy: -14.415
bonds (distance) P-C4' energy: -13.794
flat angles C4'-P-C4' energy: -11.097
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -9.323
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -141.284519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.284519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.382678 (E_RNA)
where:
Base-Base interactions energy: -83.011
where: short stacking energy: -46.834
Base-Backbone interact. energy: -0.085
local terms energy: -58.286312
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -4.187
tors. eta vs tors. theta energy: -13.150
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -122.103788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.103788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.386419 (E_RNA)
where:
Base-Base interactions energy: -77.365
where: short stacking energy: -39.042
Base-Backbone interact. energy: -0.168
local terms energy: -44.853151
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -5.069
tors. eta vs tors. theta energy: -2.956
Dist. restrs. and SS energy: 0.283 (S_DIST_RNA)
chem. 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: -122.220382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.220382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.261078 (E_RNA)
where:
Base-Base interactions energy: -73.229
where: short stacking energy: -42.322
Base-Backbone interact. energy: -0.062
local terms energy: -48.969466
where:
bonds (distance) C4'-P energy: -8.251
bonds (distance) P-C4' energy: -7.813
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -8.364
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -203.873404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.873404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.182236 (E_RNA)
where:
Base-Base interactions energy: -120.503
where: short stacking energy: -69.544
Base-Backbone interact. energy: -0.049
local terms energy: -83.630622
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -15.816
flat angles C4'-P-C4' energy: -18.736
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -20.759
Dist. restrs. and SS energy: 0.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -181.047128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.047128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.053633 (E_RNA)
where:
Base-Base interactions energy: -102.046
where: short stacking energy: -62.728
Base-Backbone interact. energy: -0.726
local terms energy: -78.281382
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -14.704
tors. eta vs tors. theta energy: -15.560
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -176.896230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.896230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.970274 (E_RNA)
where:
Base-Base interactions energy: -105.165
where: short stacking energy: -58.450
Base-Backbone interact. energy: -0.149
local terms energy: -71.655622
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -14.359
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -163.894951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.894951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.894951 (E_RNA)
where:
Base-Base interactions energy: -95.690
where: short stacking energy: -55.228
Base-Backbone interact. energy: -0.033
local terms energy: -68.172286
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -10.301
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: 5, replica: 9
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -157.359278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.359278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.362197 (E_RNA)
where:
Base-Base interactions energy: -89.752
where: short stacking energy: -51.983
Base-Backbone interact. energy: -0.134
local terms energy: -67.476069
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -12.488
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -136.719286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.719286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.727547 (E_RNA)
where:
Base-Base interactions energy: -77.666
where: short stacking energy: -37.722
Base-Backbone interact. energy: -0.208
local terms energy: -58.853954
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -17.667
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -1.998
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -164.549427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.549427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.561583 (E_RNA)
where:
Base-Base interactions energy: -101.928
where: short stacking energy: -51.056
Base-Backbone interact. energy: -0.311
local terms energy: -62.322666
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -8.287
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -128.920220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.920220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.943158 (E_RNA)
where:
Base-Base interactions energy: -67.626
where: short stacking energy: -42.122
Base-Backbone interact. energy: -0.251
local terms energy: -61.065858
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -10.539
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -10.807
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -146.509934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.509934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.177742 (E_RNA)
where:
Base-Base interactions energy: -85.069
where: short stacking energy: -39.662
Base-Backbone interact. energy: -0.002
local terms energy: -62.106869
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -10.306
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -11.784
Dist. restrs. and SS energy: 0.668 (S_DIST_RNA)
chem. 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: -123.284391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.284391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.593321 (E_RNA)
where:
Base-Base interactions energy: -75.283
where: short stacking energy: -41.686
Base-Backbone interact. energy: -0.417
local terms energy: -47.893562
where:
bonds (distance) C4'-P energy: -10.499
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -7.933
flat angles P-C4'-P energy: -6.017
tors. eta vs tors. theta energy: -10.835
Dist. restrs. and SS energy: 0.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -195.104420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.104420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.490892 (E_RNA)
where:
Base-Base interactions energy: -119.446
where: short stacking energy: -59.187
Base-Backbone interact. energy: 0.351
local terms energy: -76.395781
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -13.059
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -18.163
Dist. restrs. and SS energy: 0.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -189.054764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.054764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.321595 (E_RNA)
where:
Base-Base interactions energy: -117.155
where: short stacking energy: -56.812
Base-Backbone interact. energy: -0.490
local terms energy: -71.677324
where:
bonds (distance) C4'-P energy: -10.520
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -16.093
Dist. restrs. and SS energy: 0.267 (S_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: 416
Temperature: 1.000000
Total energy: -174.448817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.448817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.630973 (E_RNA)
where:
Base-Base interactions energy: -101.096
where: short stacking energy: -58.227
Base-Backbone interact. energy: -0.008
local terms energy: -73.526180
where:
bonds (distance) C4'-P energy: -14.445
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -13.193
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -172.546767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.546767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.549461 (E_RNA)
where:
Base-Base interactions energy: -100.124
where: short stacking energy: -60.145
Base-Backbone interact. energy: -0.000
local terms energy: -72.425104
where:
bonds (distance) C4'-P energy: -15.405
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -15.467
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -149.765666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.765666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.039963 (E_RNA)
where:
Base-Base interactions energy: -97.839
where: short stacking energy: -48.275
Base-Backbone interact. energy: -0.018
local terms energy: -52.182764
where:
bonds (distance) C4'-P energy: -9.804
bonds (distance) P-C4' energy: -10.447
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -5.189
tors. eta vs tors. theta energy: -12.266
Dist. restrs. and SS energy: 0.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -136.184484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.184484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.186467 (E_RNA)
where:
Base-Base interactions energy: -78.111
where: short stacking energy: -43.922
Base-Backbone interact. energy: -0.560
local terms energy: -57.515715
where:
bonds (distance) C4'-P energy: -10.549
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -11.120
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -9.605
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -145.491632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.491632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.491632 (E_RNA)
where:
Base-Base interactions energy: -79.668
where: short stacking energy: -46.970
Base-Backbone interact. energy: -0.734
local terms energy: -65.089954
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -14.839
tors. eta vs tors. theta energy: -11.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -154.164368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.164368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.048492 (E_RNA)
where:
Base-Base interactions energy: -92.210
where: short stacking energy: -43.301
Base-Backbone interact. energy: -0.193
local terms energy: -63.645693
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -10.118
Dist. restrs. and SS energy: 1.884 (S_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: 416
Temperature: 1.300000
Total energy: -115.366928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.366928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.366928 (E_RNA)
where:
Base-Base interactions energy: -69.278
where: short stacking energy: -41.056
Base-Backbone interact. energy: -0.029
local terms energy: -46.060194
where:
bonds (distance) C4'-P energy: -9.356
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -2.941
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -9.446
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -107.354521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.354521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.690485 (E_RNA)
where:
Base-Base interactions energy: -56.649
where: short stacking energy: -26.811
Base-Backbone interact. energy: -0.114
local terms energy: -50.927842
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -0.466
Dist. restrs. and SS energy: 0.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -202.002376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.002376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.099515 (E_RNA)
where:
Base-Base interactions energy: -125.106
where: short stacking energy: -72.368
Base-Backbone interact. energy: -0.001
local terms energy: -76.992066
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -22.273
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -193.573605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.573605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.805993 (E_RNA)
where:
Base-Base interactions energy: -124.201
where: short stacking energy: -59.926
Base-Backbone interact. energy: -0.336
local terms energy: -69.269040
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -15.932
Dist. restrs. and SS energy: 0.232 (S_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: 417
Temperature: 1.000000
Total energy: -171.387527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.387527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.387527 (E_RNA)
where:
Base-Base interactions energy: -103.185
where: short stacking energy: -56.435
Base-Backbone interact. energy: -0.051
local terms energy: -68.152387
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -14.665
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -165.115689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.115689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.115689 (E_RNA)
where:
Base-Base interactions energy: -97.553
where: short stacking energy: -49.389
Base-Backbone interact. energy: 1.425
local terms energy: -68.987810
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -9.884
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: 8
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -169.156861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.156861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.168541 (E_RNA)
where:
Base-Base interactions energy: -95.141
where: short stacking energy: -60.170
Base-Backbone interact. energy: -0.002
local terms energy: -74.024999
where:
bonds (distance) C4'-P energy: -18.333
bonds (distance) P-C4' energy: -16.438
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -12.596
Dist. restrs. and SS energy: 0.012 (S_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: 417
Temperature: 1.150000
Total energy: -139.669850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.669850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.681141 (E_RNA)
where:
Base-Base interactions energy: -74.470
where: short stacking energy: -42.517
Base-Backbone interact. energy: -0.085
local terms energy: -65.126208
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -16.674
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -12.903
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -140.515682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.515682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.366929 (E_RNA)
where:
Base-Base interactions energy: -87.420
where: short stacking energy: -47.072
Base-Backbone interact. energy: -0.480
local terms energy: -53.467223
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -11.638
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -7.889
Dist. restrs. and SS energy: 0.851 (S_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: 417
Temperature: 1.250000
Total energy: -137.860392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.860392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.923614 (E_RNA)
where:
Base-Base interactions energy: -80.953
where: short stacking energy: -44.554
Base-Backbone interact. energy: -0.198
local terms energy: -56.773144
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -9.416
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -8.597
Dist. restrs. and SS energy: 0.063 (S_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: 417
Temperature: 1.300000
Total energy: -137.952212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.952212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.178606 (E_RNA)
where:
Base-Base interactions energy: -85.342
where: short stacking energy: -38.670
Base-Backbone interact. energy: -0.085
local terms energy: -52.751482
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -4.287
Dist. restrs. and SS energy: 0.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -133.729851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.729851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.767031 (E_RNA)
where:
Base-Base interactions energy: -73.101
where: short stacking energy: -44.261
Base-Backbone interact. energy: -0.014
local terms energy: -60.652888
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -16.270
flat angles C4'-P-C4' energy: -9.087
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -10.142
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. 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: -196.606075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.606075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.954783 (E_RNA)
where:
Base-Base interactions energy: -120.966
where: short stacking energy: -64.356
Base-Backbone interact. energy: -0.191
local terms energy: -75.797485
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -15.992
Dist. restrs. and SS energy: 0.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -186.232549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.232549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.639192 (E_RNA)
where:
Base-Base interactions energy: -113.453
where: short stacking energy: -72.733
Base-Backbone interact. energy: -0.018
local terms energy: -73.168100
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -20.226
Dist. restrs. and SS energy: 0.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -182.260684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.260684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.324295 (E_RNA)
where:
Base-Base interactions energy: -104.640
where: short stacking energy: -62.675
Base-Backbone interact. energy: -0.639
local terms energy: -77.044777
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -16.838
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -164.073229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.073229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.073229 (E_RNA)
where:
Base-Base interactions energy: -103.478
where: short stacking energy: -58.405
Base-Backbone interact. energy: -0.062
local terms energy: -60.533148
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -5.737
tors. eta vs tors. theta energy: -10.939
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: 3
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -165.629040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.629040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.794539 (E_RNA)
where:
Base-Base interactions energy: -99.604
where: short stacking energy: -48.904
Base-Backbone interact. energy: 0.185
local terms energy: -66.375710
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -11.587
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -160.627055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.627055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.926163 (E_RNA)
where:
Base-Base interactions energy: -94.351
where: short stacking energy: -56.812
Base-Backbone interact. energy: -0.120
local terms energy: -66.455245
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -13.157
Dist. restrs. and SS energy: 0.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -146.472469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.472469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.745547 (E_RNA)
where:
Base-Base interactions energy: -87.706
where: short stacking energy: -47.946
Base-Backbone interact. energy: -0.027
local terms energy: -59.012518
where:
bonds (distance) C4'-P energy: -9.452
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -9.531
Dist. restrs. and SS energy: 0.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -138.168217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.168217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.191271 (E_RNA)
where:
Base-Base interactions energy: -77.760
where: short stacking energy: -43.441
Base-Backbone interact. energy: -0.198
local terms energy: -60.233087
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -11.975
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -10.352
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -134.489156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.489156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.630448 (E_RNA)
where:
Base-Base interactions energy: -69.011
where: short stacking energy: -36.352
Base-Backbone interact. energy: -0.046
local terms energy: -65.573406
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -9.554
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -9.057
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. 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: -119.628835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.628835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.681083 (E_RNA)
where:
Base-Base interactions energy: -64.993
where: short stacking energy: -31.353
Base-Backbone interact. energy: -0.255
local terms energy: -54.432986
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -12.788
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -1.199
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. 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: -205.010582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.010582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.946359 (E_RNA)
where:
Base-Base interactions energy: -126.804
where: short stacking energy: -67.864
Base-Backbone interact. energy: -0.151
local terms energy: -78.991786
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -17.487
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -20.580
Dist. restrs. and SS energy: 0.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -185.464595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.464595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.777765 (E_RNA)
where:
Base-Base interactions energy: -111.615
where: short stacking energy: -65.754
Base-Backbone interact. energy: -0.013
local terms energy: -74.150121
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -17.546
Dist. restrs. and SS energy: 0.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -172.915206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.915206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.938165 (E_RNA)
where:
Base-Base interactions energy: -103.945
where: short stacking energy: -60.452
Base-Backbone interact. energy: -0.195
local terms energy: -68.798965
where:
bonds (distance) C4'-P energy: -11.828
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -12.887
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -175.461897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.461897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.799802 (E_RNA)
where:
Base-Base interactions energy: -102.823
where: short stacking energy: -61.559
Base-Backbone interact. energy: -0.676
local terms energy: -72.301486
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -17.490
Dist. restrs. and SS energy: 0.338 (S_DIST_RNA)
chem. 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: -169.639242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.639242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.919444 (E_RNA)
where:
Base-Base interactions energy: -103.945
where: short stacking energy: -48.215
Base-Backbone interact. energy: -0.224
local terms energy: -65.749916
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -13.821
tors. eta vs tors. theta energy: -10.869
Dist. restrs. and SS energy: 0.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -144.741248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.741248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.924718 (E_RNA)
where:
Base-Base interactions energy: -92.460
where: short stacking energy: -43.135
Base-Backbone interact. energy: -0.068
local terms energy: -52.396504
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -7.591
flat angles P-C4'-P energy: -5.431
tors. eta vs tors. theta energy: -10.119
Dist. restrs. and SS energy: 0.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -147.196192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.196192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.836439 (E_RNA)
where:
Base-Base interactions energy: -89.378
where: short stacking energy: -49.133
Base-Backbone interact. energy: -0.518
local terms energy: -57.940536
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -12.107
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -5.820
Dist. restrs. and SS energy: 0.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -140.767453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.767453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.853170 (E_RNA)
where:
Base-Base interactions energy: -75.411
where: short stacking energy: -43.702
Base-Backbone interact. energy: -0.203
local terms energy: -65.239571
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -6.193
tors. eta vs tors. theta energy: -13.968
Dist. restrs. and SS energy: 0.086 (S_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: 419
Temperature: 1.300000
Total energy: -138.799832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.799832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.307870 (E_RNA)
where:
Base-Base interactions energy: -79.647
where: short stacking energy: -37.639
Base-Backbone interact. energy: 1.381
local terms energy: -61.041532
where:
bonds (distance) C4'-P energy: -11.322
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -7.584
Dist. restrs. and SS energy: 0.508 (S_DIST_RNA)
chem. 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: -132.651836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.651836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.681930 (E_RNA)
where:
Base-Base interactions energy: -77.489
where: short stacking energy: -44.585
Base-Backbone interact. energy: -0.109
local terms energy: -55.083999
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -8.523
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. 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: -199.531849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.531849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.531849 (E_RNA)
where:
Base-Base interactions energy: -124.614
where: short stacking energy: -73.686
Base-Backbone interact. energy: 0.195
local terms energy: -75.112806
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -14.846
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: 2, replica: 9
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -177.574689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.574689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.715155 (E_RNA)
where:
Base-Base interactions energy: -109.921
where: short stacking energy: -48.779
Base-Backbone interact. energy: -0.272
local terms energy: -67.522166
where:
bonds (distance) C4'-P energy: -18.680
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -11.238
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -11.171
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. 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: -172.664712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.664712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.725690 (E_RNA)
where:
Base-Base interactions energy: -105.909
where: short stacking energy: -67.588
Base-Backbone interact. energy: -0.025
local terms energy: -66.791534
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -18.716
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -173.105860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.105860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.336958 (E_RNA)
where:
Base-Base interactions energy: -100.058
where: short stacking energy: -52.693
Base-Backbone interact. energy: -0.002
local terms energy: -73.276186
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -17.031
Dist. restrs. and SS energy: 0.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -144.992982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.992982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.367432 (E_RNA)
where:
Base-Base interactions energy: -87.153
where: short stacking energy: -42.028
Base-Backbone interact. energy: -0.447
local terms energy: -57.767593
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -5.855
tors. eta vs tors. theta energy: -11.677
Dist. restrs. and SS energy: 0.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -168.287638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.287638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.623894 (E_RNA)
where:
Base-Base interactions energy: -110.301
where: short stacking energy: -47.137
Base-Backbone interact. energy: -0.972
local terms energy: -57.350860
where:
bonds (distance) C4'-P energy: -10.025
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -10.816
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -12.595
Dist. restrs. and SS energy: 0.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -157.090646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.090646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.368902 (E_RNA)
where:
Base-Base interactions energy: -92.999
where: short stacking energy: -52.476
Base-Backbone interact. energy: 0.506
local terms energy: -64.875861
where:
bonds (distance) C4'-P energy: -10.734
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -17.712
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -14.082
Dist. restrs. and SS energy: 0.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -144.972986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.972986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.972986 (E_RNA)
where:
Base-Base interactions energy: -84.479
where: short stacking energy: -47.639
Base-Backbone interact. energy: -0.813
local terms energy: -59.680461
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -11.788
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -12.022
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -131.552775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.552775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.856515 (E_RNA)
where:
Base-Base interactions energy: -78.162
where: short stacking energy: -38.967
Base-Backbone interact. energy: -1.082
local terms energy: -52.611685
where:
bonds (distance) C4'-P energy: -7.693
bonds (distance) P-C4' energy: -14.214
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -8.711
Dist. restrs. and SS energy: 0.304 (S_DIST_RNA)
chem. 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: -129.547069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.547069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.554999 (E_RNA)
where:
Base-Base interactions energy: -71.663
where: short stacking energy: -33.971
Base-Backbone interact. energy: -0.272
local terms energy: -57.619609
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -3.373
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. 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: -198.529232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.529232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.588716 (E_RNA)
where:
Base-Base interactions energy: -123.176
where: short stacking energy: -61.252
Base-Backbone interact. energy: -1.078
local terms energy: -74.334672
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -15.803
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -16.110
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -177.516547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.516547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.606511 (E_RNA)
where:
Base-Base interactions energy: -103.708
where: short stacking energy: -58.588
Base-Backbone interact. energy: -0.344
local terms energy: -73.554325
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -13.462
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. 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: -173.750958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.750958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.021302 (E_RNA)
where:
Base-Base interactions energy: -105.091
where: short stacking energy: -59.157
Base-Backbone interact. energy: -0.155
local terms energy: -68.774531
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -9.591
Dist. restrs. and SS energy: 0.270 (S_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: 421
Temperature: 1.050000
Total energy: -181.452529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.452529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.862189 (E_RNA)
where:
Base-Base interactions energy: -104.937
where: short stacking energy: -60.126
Base-Backbone interact. energy: -0.004
local terms energy: -76.921421
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -19.245
Dist. restrs. and SS energy: 0.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -169.099713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.099713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.099713 (E_RNA)
where:
Base-Base interactions energy: -97.839
where: short stacking energy: -52.061
Base-Backbone interact. energy: 1.440
local terms energy: -72.700169
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -17.299
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -148.502757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.502757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.518214 (E_RNA)
where:
Base-Base interactions energy: -85.922
where: short stacking energy: -47.411
Base-Backbone interact. energy: -0.070
local terms energy: -62.526134
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -7.656
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -150.505597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.505597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.851478 (E_RNA)
where:
Base-Base interactions energy: -89.148
where: short stacking energy: -48.775
Base-Backbone interact. energy: -0.014
local terms energy: -61.689564
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -8.861
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -13.703
Dist. restrs. and SS energy: 0.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -148.718833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.718833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.877352 (E_RNA)
where:
Base-Base interactions energy: -84.052
where: short stacking energy: -45.693
Base-Backbone interact. energy: -0.137
local terms energy: -64.689069
where:
bonds (distance) C4'-P energy: -16.005
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -10.562
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -139.885296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.885296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.886151 (E_RNA)
where:
Base-Base interactions energy: -80.326
where: short stacking energy: -44.614
Base-Backbone interact. energy: -0.352
local terms energy: -59.208298
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -13.585
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. 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: -127.577939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.577939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.577939 (E_RNA)
where:
Base-Base interactions energy: -69.183
where: short stacking energy: -31.855
Base-Backbone interact. energy: -0.692
local terms energy: -57.702316
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -15.760
tors. eta vs tors. theta energy: -1.876
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -203.830269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.830269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.954140 (E_RNA)
where:
Base-Base interactions energy: -127.763
where: short stacking energy: -66.384
Base-Backbone interact. energy: -0.300
local terms energy: -75.891792
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -15.593
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -184.024863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.024863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.040461 (E_RNA)
where:
Base-Base interactions energy: -103.142
where: short stacking energy: -61.554
Base-Backbone interact. energy: -0.044
local terms energy: -80.855231
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -18.032
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -170.217930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.217930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.431116 (E_RNA)
where:
Base-Base interactions energy: -102.209
where: short stacking energy: -56.589
Base-Backbone interact. energy: -0.004
local terms energy: -68.218243
where:
bonds (distance) C4'-P energy: -7.402
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -16.421
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -168.248352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.248352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.469724 (E_RNA)
where:
Base-Base interactions energy: -93.145
where: short stacking energy: -48.012
Base-Backbone interact. energy: -0.360
local terms energy: -74.965303
where:
bonds (distance) C4'-P energy: -16.688
bonds (distance) P-C4' energy: -12.111
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -17.277
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -160.057492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.057492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.436129 (E_RNA)
where:
Base-Base interactions energy: -106.915
where: short stacking energy: -54.330
Base-Backbone interact. energy: -0.267
local terms energy: -53.254151
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -10.272
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -9.024
Dist. restrs. and SS energy: 0.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -160.121707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.121707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.158779 (E_RNA)
where:
Base-Base interactions energy: -93.146
where: short stacking energy: -53.622
Base-Backbone interact. energy: -0.016
local terms energy: -66.996737
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -14.280
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -158.930022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.930022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.594890 (E_RNA)
where:
Base-Base interactions energy: -87.487
where: short stacking energy: -51.012
Base-Backbone interact. energy: -0.073
local terms energy: -72.035329
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -15.115
Dist. restrs. and SS energy: 0.665 (S_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: 422
Temperature: 1.250000
Total energy: -115.864759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.864759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.887662 (E_RNA)
where:
Base-Base interactions energy: -58.206
where: short stacking energy: -28.562
Base-Backbone interact. energy: -0.286
local terms energy: -57.395654
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -5.248
Dist. restrs. and SS energy: 0.023 (S_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: 422
Temperature: 1.300000
Total energy: -120.194368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.194368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.243311 (E_RNA)
where:
Base-Base interactions energy: -67.868
where: short stacking energy: -37.497
Base-Backbone interact. energy: -0.453
local terms energy: -51.922079
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -16.802
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -3.886
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -118.715512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.715512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.794168 (E_RNA)
where:
Base-Base interactions energy: -65.194
where: short stacking energy: -39.685
Base-Backbone interact. energy: -0.175
local terms energy: -53.424825
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -9.142
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -1.419
tors. eta vs tors. theta energy: -11.851
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. 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: -196.339964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.339964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.403453 (E_RNA)
where:
Base-Base interactions energy: -119.591
where: short stacking energy: -64.748
Base-Backbone interact. energy: -0.595
local terms energy: -76.217850
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -18.074
flat angles P-C4'-P energy: -13.178
tors. eta vs tors. theta energy: -17.435
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -186.589201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.589201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.701682 (E_RNA)
where:
Base-Base interactions energy: -123.595
where: short stacking energy: -64.771
Base-Backbone interact. energy: -0.168
local terms energy: -62.939050
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -14.549
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -187.787717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.787717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.943989 (E_RNA)
where:
Base-Base interactions energy: -108.596
where: short stacking energy: -59.792
Base-Backbone interact. energy: -0.163
local terms energy: -79.184332
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -18.711
Dist. restrs. and SS energy: 0.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -172.342949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.342949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.527201 (E_RNA)
where:
Base-Base interactions energy: -104.615
where: short stacking energy: -50.768
Base-Backbone interact. energy: -0.344
local terms energy: -67.567988
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -18.638
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -8.784
Dist. restrs. and SS energy: 0.184 (S_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: 423
Temperature: 1.100000
Total energy: -166.671256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.671256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.671256 (E_RNA)
where:
Base-Base interactions energy: -101.069
where: short stacking energy: -50.678
Base-Backbone interact. energy: -0.164
local terms energy: -65.438470
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -14.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -164.853747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.853747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.866349 (E_RNA)
where:
Base-Base interactions energy: -99.037
where: short stacking energy: -57.439
Base-Backbone interact. energy: -0.045
local terms energy: -65.784498
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -10.314
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -6.210
tors. eta vs tors. theta energy: -17.924
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -146.993993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.993993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.996235 (E_RNA)
where:
Base-Base interactions energy: -81.630
where: short stacking energy: -41.213
Base-Backbone interact. energy: -0.429
local terms energy: -64.936843
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -10.752
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -146.626230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.626230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.008290 (E_RNA)
where:
Base-Base interactions energy: -83.441
where: short stacking energy: -38.092
Base-Backbone interact. energy: -0.691
local terms energy: -62.876179
where:
bonds (distance) C4'-P energy: -12.043
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -12.874
Dist. restrs. and SS energy: 0.382 (S_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: 423
Temperature: 1.300000
Total energy: -135.486484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.486484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.774619 (E_RNA)
where:
Base-Base interactions energy: -79.472
where: short stacking energy: -56.815
Base-Backbone interact. energy: -0.096
local terms energy: -56.207175
where:
bonds (distance) C4'-P energy: -6.893
bonds (distance) P-C4' energy: -14.341
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -14.187
Dist. restrs. and SS energy: 0.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -120.330391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.330391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.330391 (E_RNA)
where:
Base-Base interactions energy: -72.138
where: short stacking energy: -37.992
Base-Backbone interact. energy: 0.386
local terms energy: -48.578193
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -11.305
flat angles P-C4'-P energy: -5.031
tors. eta vs tors. theta energy: -3.945
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: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -201.998232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.998232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.239435 (E_RNA)
where:
Base-Base interactions energy: -123.282
where: short stacking energy: -68.678
Base-Backbone interact. energy: -0.111
local terms energy: -78.846802
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -16.791
Dist. restrs. and SS energy: 0.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -195.898229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.898229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.122375 (E_RNA)
where:
Base-Base interactions energy: -116.201
where: short stacking energy: -64.574
Base-Backbone interact. energy: -0.034
local terms energy: -79.887391
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -15.788
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -22.377
Dist. restrs. and SS energy: 0.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -184.242109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.242109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.512589 (E_RNA)
where:
Base-Base interactions energy: -105.295
where: short stacking energy: -55.708
Base-Backbone interact. energy: -0.192
local terms energy: -79.025555
where:
bonds (distance) C4'-P energy: -17.694
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -19.594
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -186.883955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.883955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.215462 (E_RNA)
where:
Base-Base interactions energy: -114.986
where: short stacking energy: -66.906
Base-Backbone interact. energy: -0.042
local terms energy: -72.187178
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -17.386
Dist. restrs. and SS energy: 0.332 (S_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: 424
Temperature: 1.100000
Total energy: -174.271164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.271164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.383729 (E_RNA)
where:
Base-Base interactions energy: -97.077
where: short stacking energy: -53.539
Base-Backbone interact. energy: -0.203
local terms energy: -77.103779
where:
bonds (distance) C4'-P energy: -16.121
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -19.053
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -165.647555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.647555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.774417 (E_RNA)
where:
Base-Base interactions energy: -95.351
where: short stacking energy: -55.235
Base-Backbone interact. energy: -0.006
local terms energy: -70.417801
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -16.379
Dist. restrs. and SS energy: 0.127 (S_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: 424
Temperature: 1.200000
Total energy: -159.977089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.977089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.977089 (E_RNA)
where:
Base-Base interactions energy: -89.894
where: short stacking energy: -55.880
Base-Backbone interact. energy: -0.109
local terms energy: -69.974577
where:
bonds (distance) C4'-P energy: -13.886
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -15.646
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -142.853907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.853907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.123699 (E_RNA)
where:
Base-Base interactions energy: -80.081
where: short stacking energy: -32.405
Base-Backbone interact. energy: -0.145
local terms energy: -62.897386
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -11.924
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -8.931
Dist. restrs. and SS energy: 0.270 (S_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: 424
Temperature: 1.300000
Total energy: -139.772326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.772326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.772326 (E_RNA)
where:
Base-Base interactions energy: -81.943
where: short stacking energy: -39.482
Base-Backbone interact. energy: -0.192
local terms energy: -57.637975
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -15.098
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -3.775
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: 5
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -136.958238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.958238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.958238 (E_RNA)
where:
Base-Base interactions energy: -82.587
where: short stacking energy: -40.148
Base-Backbone interact. energy: -0.055
local terms energy: -54.315791
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -9.922
flat angles C4'-P-C4' energy: -7.706
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -14.718
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -194.442112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.442112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.589020 (E_RNA)
where:
Base-Base interactions energy: -121.403
where: short stacking energy: -68.510
Base-Backbone interact. energy: -0.085
local terms energy: -73.100961
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -6.595
tors. eta vs tors. theta energy: -19.551
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -198.854798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.854798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.854798 (E_RNA)
where:
Base-Base interactions energy: -115.330
where: short stacking energy: -72.293
Base-Backbone interact. energy: -0.029
local terms energy: -83.496157
where:
bonds (distance) C4'-P energy: -18.692
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -21.675
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: 9
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -176.690380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.690380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.857564 (E_RNA)
where:
Base-Base interactions energy: -100.385
where: short stacking energy: -57.246
Base-Backbone interact. energy: -0.027
local terms energy: -76.445424
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -13.063
tors. eta vs tors. theta energy: -14.522
Dist. restrs. and SS energy: 0.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -177.364854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.364854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.399061 (E_RNA)
where:
Base-Base interactions energy: -103.404
where: short stacking energy: -52.888
Base-Backbone interact. energy: -0.336
local terms energy: -73.658369
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -14.044
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -170.508504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.508504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.508504 (E_RNA)
where:
Base-Base interactions energy: -103.463
where: short stacking energy: -55.395
Base-Backbone interact. energy: -0.252
local terms energy: -66.792836
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -10.403
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -11.916
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: 6, replica: 6
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -178.046194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.046194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.086866 (E_RNA)
where:
Base-Base interactions energy: -111.222
where: short stacking energy: -60.781
Base-Backbone interact. energy: -0.113
local terms energy: -66.751973
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -18.701
Dist. restrs. and SS energy: 0.041 (S_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: 425
Temperature: 1.200000
Total energy: -149.141461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.141461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.141461 (E_RNA)
where:
Base-Base interactions energy: -90.265
where: short stacking energy: -49.578
Base-Backbone interact. energy: 0.012
local terms energy: -58.888556
where:
bonds (distance) C4'-P energy: -9.535
bonds (distance) P-C4' energy: -12.636
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -13.609
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -142.736445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.736445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.786420 (E_RNA)
where:
Base-Base interactions energy: -85.953
where: short stacking energy: -54.540
Base-Backbone interact. energy: -0.583
local terms energy: -56.250613
where:
bonds (distance) C4'-P energy: -6.843
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -11.218
Dist. restrs. and SS energy: 0.050 (S_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: 425
Temperature: 1.300000
Total energy: -142.861531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.861531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.897286 (E_RNA)
where:
Base-Base interactions energy: -85.004
where: short stacking energy: -45.794
Base-Backbone interact. energy: -0.135
local terms energy: -57.758360
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -11.287
flat angles P-C4'-P energy: -8.935
tors. eta vs tors. theta energy: -9.354
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -112.169804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.169804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.334988 (E_RNA)
where:
Base-Base interactions energy: -62.454
where: short stacking energy: -29.874
Base-Backbone interact. energy: -0.099
local terms energy: -49.781873
where:
bonds (distance) C4'-P energy: -14.445
bonds (distance) P-C4' energy: -10.686
flat angles C4'-P-C4' energy: -11.445
flat angles P-C4'-P energy: -6.114
tors. eta vs tors. theta energy: -7.093
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. 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: -200.694131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.694131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.954621 (E_RNA)
where:
Base-Base interactions energy: -123.721
where: short stacking energy: -74.792
Base-Backbone interact. energy: -0.076
local terms energy: -77.156897
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -17.334
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: -19.539
Dist. restrs. and SS energy: 0.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -197.833315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.833315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.833315 (E_RNA)
where:
Base-Base interactions energy: -116.431
where: short stacking energy: -72.165
Base-Backbone interact. energy: -2.053
local terms energy: -79.348807
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -13.616
tors. eta vs tors. theta energy: -18.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -173.366728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.366728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.402413 (E_RNA)
where:
Base-Base interactions energy: -106.198
where: short stacking energy: -62.318
Base-Backbone interact. energy: 0.643
local terms energy: -67.847840
where:
bonds (distance) C4'-P energy: -18.424
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -4.781
tors. eta vs tors. theta energy: -11.820
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -173.770242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.770242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.847269 (E_RNA)
where:
Base-Base interactions energy: -111.967
where: short stacking energy: -61.537
Base-Backbone interact. energy: -0.001
local terms energy: -61.879223
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: -13.878
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. 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: -161.181319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.181319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.297697 (E_RNA)
where:
Base-Base interactions energy: -94.565
where: short stacking energy: -46.656
Base-Backbone interact. energy: -0.073
local terms energy: -66.660055
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -9.908
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -156.336001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.336001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.336001 (E_RNA)
where:
Base-Base interactions energy: -93.557
where: short stacking energy: -41.893
Base-Backbone interact. energy: -0.075
local terms energy: -62.703661
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -7.767
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -152.661063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.661063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.661063 (E_RNA)
where:
Base-Base interactions energy: -91.441
where: short stacking energy: -46.735
Base-Backbone interact. energy: -0.122
local terms energy: -61.098068
where:
bonds (distance) C4'-P energy: -17.670
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -6.957
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -13.463
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -124.784877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.784877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.784877 (E_RNA)
where:
Base-Base interactions energy: -70.057
where: short stacking energy: -36.616
Base-Backbone interact. energy: -0.070
local terms energy: -54.657839
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -6.603
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -93.635403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.635403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.082612 (E_RNA)
where:
Base-Base interactions energy: -54.525
where: short stacking energy: -47.243
Base-Backbone interact. energy: -0.169
local terms energy: -40.388550
where:
bonds (distance) C4'-P energy: -11.025
bonds (distance) P-C4' energy: -7.403
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -5.407
tors. eta vs tors. theta energy: -3.239
Dist. restrs. and SS energy: 1.447 (S_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: 426
Temperature: 1.350000
Total energy: -121.749955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.749955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.771019 (E_RNA)
where:
Base-Base interactions energy: -78.170
where: short stacking energy: -29.734
Base-Backbone interact. energy: -0.156
local terms energy: -43.445439
where:
bonds (distance) C4'-P energy: -7.738
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -1.209
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. 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: -194.679687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.679687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.944762 (E_RNA)
where:
Base-Base interactions energy: -119.336
where: short stacking energy: -57.382
Base-Backbone interact. energy: -0.014
local terms energy: -75.594666
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -19.274
flat angles P-C4'-P energy: -5.664
tors. eta vs tors. theta energy: -16.544
Dist. restrs. and SS energy: 0.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -194.409975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.409975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.409975 (E_RNA)
where:
Base-Base interactions energy: -120.835
where: short stacking energy: -64.881
Base-Backbone interact. energy: -0.052
local terms energy: -73.523205
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -18.566
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -14.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -165.322245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.322245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.322245 (E_RNA)
where:
Base-Base interactions energy: -91.269
where: short stacking energy: -55.448
Base-Backbone interact. energy: -0.213
local terms energy: -73.840910
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -15.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -168.472762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.472762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.684632 (E_RNA)
where:
Base-Base interactions energy: -100.996
where: short stacking energy: -51.368
Base-Backbone interact. energy: -0.114
local terms energy: -67.574699
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -10.632
Dist. restrs. and SS energy: 0.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -173.043443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.043443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.043443 (E_RNA)
where:
Base-Base interactions energy: -100.357
where: short stacking energy: -61.068
Base-Backbone interact. energy: -0.077
local terms energy: -72.608552
where:
bonds (distance) C4'-P energy: -15.827
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -13.599
tors. eta vs tors. theta energy: -15.948
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -168.634174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.634174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.501370 (E_RNA)
where:
Base-Base interactions energy: -99.605
where: short stacking energy: -58.480
Base-Backbone interact. energy: -0.128
local terms energy: -69.768547
where:
bonds (distance) C4'-P energy: -8.993
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -18.619
Dist. restrs. and SS energy: 0.867 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -155.043886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.043886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.168335 (E_RNA)
where:
Base-Base interactions energy: -93.902
where: short stacking energy: -49.538
Base-Backbone interact. energy: -0.241
local terms energy: -61.024963
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -11.634
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -12.887
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -132.877947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.877947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.877947 (E_RNA)
where:
Base-Base interactions energy: -74.014
where: short stacking energy: -41.934
Base-Backbone interact. energy: 0.296
local terms energy: -59.160084
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -7.374
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -121.838793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.838793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.838793 (E_RNA)
where:
Base-Base interactions energy: -66.469
where: short stacking energy: -25.853
Base-Backbone interact. energy: -0.257
local terms energy: -55.113526
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -1.442
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -128.789826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.789826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.789826 (E_RNA)
where:
Base-Base interactions energy: -70.113
where: short stacking energy: -38.853
Base-Backbone interact. energy: -0.100
local terms energy: -58.575922
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -10.819
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -11.443
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: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -191.854687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.854687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.970168 (E_RNA)
where:
Base-Base interactions energy: -114.102
where: short stacking energy: -66.562
Base-Backbone interact. energy: -0.137
local terms energy: -77.730613
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -15.186
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -14.946
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -187.849515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.849515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.959323 (E_RNA)
where:
Base-Base interactions energy: -111.456
where: short stacking energy: -68.388
Base-Backbone interact. energy: -0.149
local terms energy: -76.354625
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -17.153
Dist. restrs. and SS energy: 0.110 (S_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: 428
Temperature: 1.000000
Total energy: -180.848929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.848929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.903245 (E_RNA)
where:
Base-Base interactions energy: -107.279
where: short stacking energy: -61.624
Base-Backbone interact. energy: -0.126
local terms energy: -73.497496
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -12.195
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -13.690
tors. eta vs tors. theta energy: -15.835
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -178.533080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.533080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.533080 (E_RNA)
where:
Base-Base interactions energy: -107.971
where: short stacking energy: -57.648
Base-Backbone interact. energy: -0.105
local terms energy: -70.456874
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: -14.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -164.166687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.166687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.578804 (E_RNA)
where:
Base-Base interactions energy: -93.944
where: short stacking energy: -42.160
Base-Backbone interact. energy: -0.175
local terms energy: -70.459933
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -10.822
Dist. restrs. and SS energy: 0.412 (S_DIST_RNA)
chem. 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: -153.584121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.584121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.584121 (E_RNA)
where:
Base-Base interactions energy: -92.790
where: short stacking energy: -48.623
Base-Backbone interact. energy: -0.016
local terms energy: -60.777659
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -10.559
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -153.441686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.441686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.885693 (E_RNA)
where:
Base-Base interactions energy: -91.538
where: short stacking energy: -46.804
Base-Backbone interact. energy: -0.718
local terms energy: -61.629563
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -5.611
tors. eta vs tors. theta energy: -8.563
Dist. restrs. and SS energy: 0.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -128.843644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.843644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.140189 (E_RNA)
where:
Base-Base interactions energy: -67.070
where: short stacking energy: -40.461
Base-Backbone interact. energy: -0.473
local terms energy: -61.596520
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -7.404
Dist. restrs. and SS energy: 0.297 (S_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: 428
Temperature: 1.300000
Total energy: -120.799439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.799439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.799439 (E_RNA)
where:
Base-Base interactions energy: -69.163
where: short stacking energy: -40.190
Base-Backbone interact. energy: -0.025
local terms energy: -51.611091
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -7.714
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -4.814
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -126.830174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.830174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.830174 (E_RNA)
where:
Base-Base interactions energy: -73.425
where: short stacking energy: -35.088
Base-Backbone interact. energy: -0.206
local terms energy: -53.199334
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -11.141
flat angles P-C4'-P energy: -6.150
tors. eta vs tors. theta energy: -8.796
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -199.553043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.553043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.553043 (E_RNA)
where:
Base-Base interactions energy: -119.477
where: short stacking energy: -69.339
Base-Backbone interact. energy: -0.174
local terms energy: -79.901121
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -19.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -193.016118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.016118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.016118 (E_RNA)
where:
Base-Base interactions energy: -114.682
where: short stacking energy: -76.741
Base-Backbone interact. energy: -0.092
local terms energy: -78.242759
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -15.309
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -22.195
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: 7
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -184.017902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.017902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.242665 (E_RNA)
where:
Base-Base interactions energy: -113.288
where: short stacking energy: -57.603
Base-Backbone interact. energy: -0.375
local terms energy: -70.579300
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -17.735
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -14.524
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -165.657005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.657005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.657005 (E_RNA)
where:
Base-Base interactions energy: -94.100
where: short stacking energy: -54.165
Base-Backbone interact. energy: 0.451
local terms energy: -72.007848
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -12.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -160.745044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.745044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.147259 (E_RNA)
where:
Base-Base interactions energy: -91.580
where: short stacking energy: -49.686
Base-Backbone interact. energy: -0.169
local terms energy: -69.398172
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -6.992
tors. eta vs tors. theta energy: -15.549
Dist. restrs. and SS energy: 0.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -151.722547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.722547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.722547 (E_RNA)
where:
Base-Base interactions energy: -94.010
where: short stacking energy: -42.834
Base-Backbone interact. energy: -0.743
local terms energy: -56.969474
where:
bonds (distance) C4'-P energy: -10.815
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -9.011
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: 9
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -126.507613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.507613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.573082 (E_RNA)
where:
Base-Base interactions energy: -68.823
where: short stacking energy: -43.257
Base-Backbone interact. energy: -0.254
local terms energy: -57.496011
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -3.603
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -138.631267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.631267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.631267 (E_RNA)
where:
Base-Base interactions energy: -76.163
where: short stacking energy: -41.594
Base-Backbone interact. energy: -0.232
local terms energy: -62.235979
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -9.242
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -128.125318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.125318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.369835 (E_RNA)
where:
Base-Base interactions energy: -73.483
where: short stacking energy: -39.888
Base-Backbone interact. energy: -0.131
local terms energy: -54.754970
where:
bonds (distance) C4'-P energy: -16.499
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -5.768
Dist. restrs. and SS energy: 0.245 (S_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: 429
Temperature: 1.350000
Total energy: -130.967395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.967395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.066290 (E_RNA)
where:
Base-Base interactions energy: -79.922
where: short stacking energy: -35.322
Base-Backbone interact. energy: -0.661
local terms energy: -50.483590
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -10.407
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -1.088
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -196.117600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.117600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.450863 (E_RNA)
where:
Base-Base interactions energy: -121.894
where: short stacking energy: -71.539
Base-Backbone interact. energy: -0.003
local terms energy: -74.553811
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -17.804
Dist. restrs. and SS energy: 0.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -192.916211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.916211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.118622 (E_RNA)
where:
Base-Base interactions energy: -115.207
where: short stacking energy: -64.209
Base-Backbone interact. energy: -0.024
local terms energy: -77.887953
where:
bonds (distance) C4'-P energy: -17.729
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -17.333
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. 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: -187.128963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.128963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.130930 (E_RNA)
where:
Base-Base interactions energy: -114.835
where: short stacking energy: -61.975
Base-Backbone interact. energy: -0.156
local terms energy: -72.139229
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -18.072
Dist. restrs. and SS energy: 0.002 (S_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: 430
Temperature: 1.050000
Total energy: -182.650357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.650357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.706394 (E_RNA)
where:
Base-Base interactions energy: -116.799
where: short stacking energy: -69.207
Base-Backbone interact. energy: -0.003
local terms energy: -65.903584
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -4.562
tors. eta vs tors. theta energy: -16.367
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -173.669454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.669454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.695908 (E_RNA)
where:
Base-Base interactions energy: -108.574
where: short stacking energy: -65.902
Base-Backbone interact. energy: -1.064
local terms energy: -64.058011
where:
bonds (distance) C4'-P energy: -9.695
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -16.704
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -159.239903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.239903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.239903 (E_RNA)
where:
Base-Base interactions energy: -96.773
where: short stacking energy: -51.954
Base-Backbone interact. energy: -0.187
local terms energy: -62.279834
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -13.181
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: 4
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -130.588837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.588837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.604069 (E_RNA)
where:
Base-Base interactions energy: -75.071
where: short stacking energy: -43.756
Base-Backbone interact. energy: -0.206
local terms energy: -55.327147
where:
bonds (distance) C4'-P energy: -9.937
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -8.094
Dist. restrs. and SS energy: 0.015 (S_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: 430
Temperature: 1.250000
Total energy: -128.710021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.710021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.710021 (E_RNA)
where:
Base-Base interactions energy: -78.115
where: short stacking energy: -48.729
Base-Backbone interact. energy: 2.924
local terms energy: -53.519470
where:
bonds (distance) C4'-P energy: -9.115
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -6.287
tors. eta vs tors. theta energy: -9.675
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -123.374075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.374075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.374075 (E_RNA)
where:
Base-Base interactions energy: -73.188
where: short stacking energy: -32.468
Base-Backbone interact. energy: 0.481
local terms energy: -50.666868
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -6.867
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: 10, replica: 5
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -110.292464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.292464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.294049 (E_RNA)
where:
Base-Base interactions energy: -60.825
where: short stacking energy: -26.806
Base-Backbone interact. energy: 2.362
local terms energy: -51.831268
where:
bonds (distance) C4'-P energy: -12.661
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -3.928
tors. eta vs tors. theta energy: -4.709
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -184.227670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.227670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.290601 (E_RNA)
where:
Base-Base interactions energy: -114.958
where: short stacking energy: -62.199
Base-Backbone interact. energy: -0.299
local terms energy: -69.033539
where:
bonds (distance) C4'-P energy: -8.381
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -14.530
Dist. restrs. and SS energy: 0.063 (S_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: 431
Temperature: 0.950000
Total energy: -182.540450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.540450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.848018 (E_RNA)
where:
Base-Base interactions energy: -108.959
where: short stacking energy: -59.094
Base-Backbone interact. energy: -0.100
local terms energy: -73.789745
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -14.711
Dist. restrs. and SS energy: 0.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -190.277622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.277622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.280477 (E_RNA)
where:
Base-Base interactions energy: -116.977
where: short stacking energy: -69.078
Base-Backbone interact. energy: -0.029
local terms energy: -73.275266
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -20.239
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. 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: -169.227111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.227111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.282336 (E_RNA)
where:
Base-Base interactions energy: -98.738
where: short stacking energy: -56.666
Base-Backbone interact. energy: -0.099
local terms energy: -70.444899
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -15.950
Dist. restrs. and SS energy: 0.055 (S_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: 431
Temperature: 1.100000
Total energy: -158.248240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.248240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.248240 (E_RNA)
where:
Base-Base interactions energy: -93.163
where: short stacking energy: -54.041
Base-Backbone interact. energy: -0.056
local terms energy: -65.028775
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -11.800
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -143.618441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.618441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.657211 (E_RNA)
where:
Base-Base interactions energy: -80.619
where: short stacking energy: -43.862
Base-Backbone interact. energy: -0.217
local terms energy: -62.821444
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -11.000
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -143.702857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.702857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.791722 (E_RNA)
where:
Base-Base interactions energy: -86.714
where: short stacking energy: -45.076
Base-Backbone interact. energy: -0.183
local terms energy: -56.894629
where:
bonds (distance) C4'-P energy: -6.997
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -11.308
Dist. restrs. and SS energy: 0.089 (S_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: 431
Temperature: 1.250000
Total energy: -144.576632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.576632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.726654 (E_RNA)
where:
Base-Base interactions energy: -93.666
where: short stacking energy: -51.161
Base-Backbone interact. energy: -0.145
local terms energy: -50.915656
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -10.628
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -4.023
tors. eta vs tors. theta energy: -13.183
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -127.092439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.092439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.092439 (E_RNA)
where:
Base-Base interactions energy: -73.897
where: short stacking energy: -37.537
Base-Backbone interact. energy: -0.275
local terms energy: -52.920159
where:
bonds (distance) C4'-P energy: -9.622
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -7.003
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -10.687
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -124.412713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.412713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.412713 (E_RNA)
where:
Base-Base interactions energy: -69.697
where: short stacking energy: -39.439
Base-Backbone interact. energy: -0.183
local terms energy: -54.532526
where:
bonds (distance) C4'-P energy: -8.410
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -6.124
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: 3
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -208.160867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.160867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.601706 (E_RNA)
where:
Base-Base interactions energy: -129.045
where: short stacking energy: -72.160
Base-Backbone interact. energy: -0.191
local terms energy: -79.364891
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -20.407
Dist. restrs. and SS energy: 0.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -185.413367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.413367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.432627 (E_RNA)
where:
Base-Base interactions energy: -112.621
where: short stacking energy: -63.322
Base-Backbone interact. energy: -0.006
local terms energy: -72.805872
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -18.070
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -16.434
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -180.669796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.669796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.679205 (E_RNA)
where:
Base-Base interactions energy: -102.195
where: short stacking energy: -64.278
Base-Backbone interact. energy: -0.924
local terms energy: -77.560020
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -13.666
tors. eta vs tors. theta energy: -17.594
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. 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: -177.940370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.940370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.060420 (E_RNA)
where:
Base-Base interactions energy: -107.359
where: short stacking energy: -62.013
Base-Backbone interact. energy: -0.139
local terms energy: -70.561700
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -5.288
tors. eta vs tors. theta energy: -17.655
Dist. restrs. and SS energy: 0.120 (S_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: 432
Temperature: 1.100000
Total energy: -170.538659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.538659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.554353 (E_RNA)
where:
Base-Base interactions energy: -110.843
where: short stacking energy: -57.298
Base-Backbone interact. energy: -0.059
local terms energy: -59.652769
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -11.317
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -11.422
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -160.080110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.080110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.081803 (E_RNA)
where:
Base-Base interactions energy: -94.129
where: short stacking energy: -49.687
Base-Backbone interact. energy: -0.169
local terms energy: -65.783641
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -12.128
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -148.599880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.599880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.889833 (E_RNA)
where:
Base-Base interactions energy: -85.895
where: short stacking energy: -36.205
Base-Backbone interact. energy: -0.224
local terms energy: -62.770494
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -9.720
Dist. restrs. and SS energy: 0.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -152.202086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.202086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.360346 (E_RNA)
where:
Base-Base interactions energy: -91.107
where: short stacking energy: -46.464
Base-Backbone interact. energy: -0.839
local terms energy: -60.414623
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -8.971
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -10.626
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -134.460623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.460623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.464930 (E_RNA)
where:
Base-Base interactions energy: -80.202
where: short stacking energy: -46.755
Base-Backbone interact. energy: -0.087
local terms energy: -54.175949
where:
bonds (distance) C4'-P energy: -10.974
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -10.975
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -8.191
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -123.468915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.468915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.548696 (E_RNA)
where:
Base-Base interactions energy: -64.011
where: short stacking energy: -33.706
Base-Backbone interact. energy: -0.889
local terms energy: -58.648398
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -14.901
flat angles C4'-P-C4' energy: -8.733
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -13.306
Dist. restrs. and SS energy: 0.080 (S_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: 433
Temperature: 0.900000
Total energy: -214.352118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.352118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.378083 (E_RNA)
where:
Base-Base interactions energy: -133.226
where: short stacking energy: -78.494
Base-Backbone interact. energy: -0.001
local terms energy: -81.150811
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -22.093
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -185.037661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.037661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.119273 (E_RNA)
where:
Base-Base interactions energy: -112.825
where: short stacking energy: -66.221
Base-Backbone interact. energy: -0.086
local terms energy: -72.209122
where:
bonds (distance) C4'-P energy: -11.168
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -19.860
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -201.335179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.335179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.335179 (E_RNA)
where:
Base-Base interactions energy: -131.460
where: short stacking energy: -72.375
Base-Backbone interact. energy: -0.367
local terms energy: -69.507974
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -16.769
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -174.100235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.100235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.254624 (E_RNA)
where:
Base-Base interactions energy: -97.699
where: short stacking energy: -54.420
Base-Backbone interact. energy: -0.464
local terms energy: -76.091535
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -16.686
flat angles C4'-P-C4' energy: -17.964
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -16.044
Dist. restrs. and SS energy: 0.154 (S_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: 433
Temperature: 1.100000
Total energy: -173.720419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.720419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.720419 (E_RNA)
where:
Base-Base interactions energy: -101.167
where: short stacking energy: -52.874
Base-Backbone interact. energy: -0.165
local terms energy: -72.388039
where:
bonds (distance) C4'-P energy: -18.767
bonds (distance) P-C4' energy: -14.512
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -9.994
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -165.116572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.116572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.116572 (E_RNA)
where:
Base-Base interactions energy: -98.857
where: short stacking energy: -43.576
Base-Backbone interact. energy: -0.107
local terms energy: -66.152825
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -10.973
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -138.311267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.311267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.311267 (E_RNA)
where:
Base-Base interactions energy: -82.489
where: short stacking energy: -40.472
Base-Backbone interact. energy: -0.025
local terms energy: -55.796394
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -3.473
tors. eta vs tors. theta energy: -12.551
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: 5
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -145.402681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.402681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.418567 (E_RNA)
where:
Base-Base interactions energy: -89.511
where: short stacking energy: -46.053
Base-Backbone interact. energy: -0.201
local terms energy: -55.706792
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -6.338
Dist. restrs. and SS energy: 0.016 (S_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: 433
Temperature: 1.300000
Total energy: -143.457221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.457221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.457221 (E_RNA)
where:
Base-Base interactions energy: -93.630
where: short stacking energy: -53.015
Base-Backbone interact. energy: 0.801
local terms energy: -50.628275
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -12.575
flat angles C4'-P-C4' energy: -10.688
flat angles P-C4'-P energy: -3.712
tors. eta vs tors. theta energy: -10.744
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: 9
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -121.765898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.765898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.161762 (E_RNA)
where:
Base-Base interactions energy: -61.268
where: short stacking energy: -34.712
Base-Backbone interact. energy: -0.163
local terms energy: -60.731576
where:
bonds (distance) C4'-P energy: -17.624
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -4.889
Dist. restrs. and SS energy: 0.396 (S_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: 434
Temperature: 0.900000
Total energy: -202.058638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.058638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.178547 (E_RNA)
where:
Base-Base interactions energy: -119.000
where: short stacking energy: -65.227
Base-Backbone interact. energy: 0.216
local terms energy: -83.394631
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -21.338
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -183.044763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.044763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.127839 (E_RNA)
where:
Base-Base interactions energy: -110.470
where: short stacking energy: -65.558
Base-Backbone interact. energy: -1.167
local terms energy: -71.491359
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -16.727
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -186.504066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.504066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.504066 (E_RNA)
where:
Base-Base interactions energy: -103.820
where: short stacking energy: -68.089
Base-Backbone interact. energy: -0.017
local terms energy: -82.666939
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -20.281
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -162.726752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.726752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.000443 (E_RNA)
where:
Base-Base interactions energy: -107.354
where: short stacking energy: -52.142
Base-Backbone interact. energy: -0.125
local terms energy: -55.521772
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -9.531
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -12.191
Dist. restrs. and SS energy: 0.274 (S_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: 434
Temperature: 1.100000
Total energy: -160.595908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.595908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.703343 (E_RNA)
where:
Base-Base interactions energy: -88.527
where: short stacking energy: -49.061
Base-Backbone interact. energy: -0.071
local terms energy: -72.104533
where:
bonds (distance) C4'-P energy: -14.097
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -14.468
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -158.185079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.185079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.185079 (E_RNA)
where:
Base-Base interactions energy: -98.013
where: short stacking energy: -55.338
Base-Backbone interact. energy: -0.006
local terms energy: -60.165676
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -9.332
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: 4
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -142.198425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.198425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.198425 (E_RNA)
where:
Base-Base interactions energy: -76.879
where: short stacking energy: -44.001
Base-Backbone interact. energy: -0.096
local terms energy: -65.223644
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -8.271
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -138.772694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.772694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.872831 (E_RNA)
where:
Base-Base interactions energy: -69.295
where: short stacking energy: -44.133
Base-Backbone interact. energy: -0.016
local terms energy: -69.562603
where:
bonds (distance) C4'-P energy: -17.915
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -11.980
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -14.409
Dist. restrs. and SS energy: 0.100 (S_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: 434
Temperature: 1.300000
Total energy: -139.633563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.633563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.633563 (E_RNA)
where:
Base-Base interactions energy: -86.126
where: short stacking energy: -42.674
Base-Backbone interact. energy: -0.188
local terms energy: -53.320412
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -10.380
flat angles P-C4'-P energy: -6.281
tors. eta vs tors. theta energy: -6.256
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: 9
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -114.085801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.085801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.097021 (E_RNA)
where:
Base-Base interactions energy: -60.030
where: short stacking energy: -27.372
Base-Backbone interact. energy: -0.404
local terms energy: -53.663080
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: -1.706
Dist. restrs. and SS energy: 0.011 (S_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: 435
Temperature: 0.900000
Total energy: -197.317177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.317177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.389451 (E_RNA)
where:
Base-Base interactions energy: -121.651
where: short stacking energy: -68.745
Base-Backbone interact. energy: -0.109
local terms energy: -75.629575
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -17.139
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -202.816416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.816416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.890043 (E_RNA)
where:
Base-Base interactions energy: -118.421
where: short stacking energy: -78.922
Base-Backbone interact. energy: 0.310
local terms energy: -84.778410
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -23.916
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -174.792204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.792204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.034486 (E_RNA)
where:
Base-Base interactions energy: -97.985
where: short stacking energy: -54.156
Base-Backbone interact. energy: -0.728
local terms energy: -76.321293
where:
bonds (distance) C4'-P energy: -17.007
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -17.153
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -13.278
Dist. restrs. and SS energy: 0.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -186.425801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.425801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.425801 (E_RNA)
where:
Base-Base interactions energy: -111.051
where: short stacking energy: -64.862
Base-Backbone interact. energy: -0.003
local terms energy: -75.371702
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -16.965
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -11.646
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: 5, replica: 1
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -166.045711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.045711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.887116 (E_RNA)
where:
Base-Base interactions energy: -102.274
where: short stacking energy: -58.573
Base-Backbone interact. energy: -0.593
local terms energy: -64.020279
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -11.533
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -14.896
Dist. restrs. and SS energy: 0.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -140.693050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.693050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.719782 (E_RNA)
where:
Base-Base interactions energy: -78.225
where: short stacking energy: -43.257
Base-Backbone interact. energy: -0.101
local terms energy: -62.393005
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -8.843
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -149.693692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.693692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.693692 (E_RNA)
where:
Base-Base interactions energy: -80.504
where: short stacking energy: -50.563
Base-Backbone interact. energy: -0.258
local terms energy: -68.930954
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -14.412
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -136.058002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.058002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.058002 (E_RNA)
where:
Base-Base interactions energy: -75.936
where: short stacking energy: -49.079
Base-Backbone interact. energy: -0.440
local terms energy: -59.681699
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -9.510
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: -11.739
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -122.882286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.882286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.882286 (E_RNA)
where:
Base-Base interactions energy: -76.170
where: short stacking energy: -32.028
Base-Backbone interact. energy: 0.042
local terms energy: -46.754251
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -10.217
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -2.851
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -113.015274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.015274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.047255 (E_RNA)
where:
Base-Base interactions energy: -59.607
where: short stacking energy: -25.208
Base-Backbone interact. energy: -0.152
local terms energy: -53.287839
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -18.343
flat angles C4'-P-C4' energy: -9.889
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -0.128
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -196.058668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.058668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.058668 (E_RNA)
where:
Base-Base interactions energy: -115.706
where: short stacking energy: -73.397
Base-Backbone interact. energy: -0.023
local terms energy: -80.329597
where:
bonds (distance) C4'-P energy: -16.254
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -19.687
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -188.405454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.405454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.443079 (E_RNA)
where:
Base-Base interactions energy: -108.254
where: short stacking energy: -60.796
Base-Backbone interact. energy: -0.045
local terms energy: -80.144178
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -15.482
tors. eta vs tors. theta energy: -15.136
Dist. restrs. and SS energy: 0.038 (S_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: 436
Temperature: 1.000000
Total energy: -174.055183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.055183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.055183 (E_RNA)
where:
Base-Base interactions energy: -101.833
where: short stacking energy: -65.486
Base-Backbone interact. energy: -0.029
local terms energy: -72.192514
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -18.608
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -17.864
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -159.315938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.315938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.428521 (E_RNA)
where:
Base-Base interactions energy: -90.664
where: short stacking energy: -48.277
Base-Backbone interact. energy: -0.149
local terms energy: -68.615459
where:
bonds (distance) C4'-P energy: -17.103
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -10.586
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -160.240677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.240677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.673506 (E_RNA)
where:
Base-Base interactions energy: -94.791
where: short stacking energy: -44.616
Base-Backbone interact. energy: -0.256
local terms energy: -65.626659
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -10.801
Dist. restrs. and SS energy: 0.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -152.611801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.611801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.636679 (E_RNA)
where:
Base-Base interactions energy: -86.897
where: short stacking energy: -50.580
Base-Backbone interact. energy: -0.057
local terms energy: -65.682277
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: -9.733
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. 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: -149.527150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.527150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.545486 (E_RNA)
where:
Base-Base interactions energy: -82.703
where: short stacking energy: -46.572
Base-Backbone interact. energy: -0.011
local terms energy: -66.832244
where:
bonds (distance) C4'-P energy: -9.775
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -11.071
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -14.587
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. 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: -130.866609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.866609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.937303 (E_RNA)
where:
Base-Base interactions energy: -75.209
where: short stacking energy: -42.878
Base-Backbone interact. energy: -0.075
local terms energy: -55.653225
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -11.472
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -8.987
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -124.668338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.668338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.701116 (E_RNA)
where:
Base-Base interactions energy: -72.599
where: short stacking energy: -41.533
Base-Backbone interact. energy: -0.056
local terms energy: -52.045868
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -3.556
tors. eta vs tors. theta energy: -7.084
Dist. restrs. and SS energy: 0.033 (S_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: 436
Temperature: 1.350000
Total energy: -124.987592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.987592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.145939 (E_RNA)
where:
Base-Base interactions energy: -70.280
where: short stacking energy: -34.563
Base-Backbone interact. energy: 1.500
local terms energy: -56.366365
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -6.976
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -191.932585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.932585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.086002 (E_RNA)
where:
Base-Base interactions energy: -112.080
where: short stacking energy: -65.924
Base-Backbone interact. energy: -0.233
local terms energy: -79.772957
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -17.527
Dist. restrs. and SS energy: 0.153 (S_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: 437
Temperature: 0.950000
Total energy: -190.526892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.526892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.540487 (E_RNA)
where:
Base-Base interactions energy: -110.886
where: short stacking energy: -68.277
Base-Backbone interact. energy: -0.003
local terms energy: -79.652246
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -18.307
Dist. restrs. and SS energy: 0.014 (S_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: 437
Temperature: 1.000000
Total energy: -167.023806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.023806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.038268 (E_RNA)
where:
Base-Base interactions energy: -105.354
where: short stacking energy: -55.294
Base-Backbone interact. energy: -0.047
local terms energy: -61.637009
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -12.315
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -182.391711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.391711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.521245 (E_RNA)
where:
Base-Base interactions energy: -109.165
where: short stacking energy: -58.315
Base-Backbone interact. energy: -0.108
local terms energy: -73.248234
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -17.460
Dist. restrs. and SS energy: 0.130 (S_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: 437
Temperature: 1.100000
Total energy: -181.032804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.032804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.096821 (E_RNA)
where:
Base-Base interactions energy: -106.952
where: short stacking energy: -63.936
Base-Backbone interact. energy: -0.046
local terms energy: -74.099024
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -19.284
Dist. restrs. and SS energy: 0.064 (S_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: 437
Temperature: 1.150000
Total energy: -161.898897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.898897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.933441 (E_RNA)
where:
Base-Base interactions energy: -104.231
where: short stacking energy: -56.371
Base-Backbone interact. energy: -0.227
local terms energy: -57.475079
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -11.274
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -10.258
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -124.823690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.823690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.880674 (E_RNA)
where:
Base-Base interactions energy: -77.186
where: short stacking energy: -38.862
Base-Backbone interact. energy: -0.118
local terms energy: -47.575991
where:
bonds (distance) C4'-P energy: -10.855
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -4.978
Dist. restrs. and SS energy: 0.057 (S_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: 437
Temperature: 1.250000
Total energy: -145.102643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.102643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.102643 (E_RNA)
where:
Base-Base interactions energy: -91.677
where: short stacking energy: -45.122
Base-Backbone interact. energy: -0.113
local terms energy: -53.312901
where:
bonds (distance) C4'-P energy: -13.455
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -1.678
tors. eta vs tors. theta energy: -10.885
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -139.089321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.089321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.119177 (E_RNA)
where:
Base-Base interactions energy: -81.134
where: short stacking energy: -39.365
Base-Backbone interact. energy: -0.282
local terms energy: -57.703085
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -10.081
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -8.739
Dist. restrs. and SS energy: 0.030 (S_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: 437
Temperature: 1.350000
Total energy: -116.532673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.532673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.532673 (E_RNA)
where:
Base-Base interactions energy: -59.124
where: short stacking energy: -31.952
Base-Backbone interact. energy: -0.429
local terms energy: -56.979910
where:
bonds (distance) C4'-P energy: -15.795
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -11.049
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -8.109
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -186.577151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.577151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.115913 (E_RNA)
where:
Base-Base interactions energy: -114.095
where: short stacking energy: -67.005
Base-Backbone interact. energy: -0.037
local terms energy: -72.983495
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -15.542
Dist. restrs. and SS energy: 0.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -177.136357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.136357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.157277 (E_RNA)
where:
Base-Base interactions energy: -106.132
where: short stacking energy: -62.767
Base-Backbone interact. energy: -0.049
local terms energy: -70.976623
where:
bonds (distance) C4'-P energy: -18.564
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -15.359
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -179.571536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.571536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.848893 (E_RNA)
where:
Base-Base interactions energy: -109.925
where: short stacking energy: -63.689
Base-Backbone interact. energy: -0.077
local terms energy: -69.847247
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -15.366
Dist. restrs. and SS energy: 0.277 (S_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: 438
Temperature: 1.050000
Total energy: -159.674857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.674857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.707323 (E_RNA)
where:
Base-Base interactions energy: -92.637
where: short stacking energy: -53.994
Base-Backbone interact. energy: -0.105
local terms energy: -66.964993
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -11.735
Dist. restrs. and SS energy: 0.032 (S_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: 438
Temperature: 1.100000
Total energy: -150.407839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.407839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.416925 (E_RNA)
where:
Base-Base interactions energy: -85.243
where: short stacking energy: -44.213
Base-Backbone interact. energy: -0.253
local terms energy: -64.920630
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -10.779
Dist. restrs. and SS energy: 0.009 (S_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: 438
Temperature: 1.150000
Total energy: -143.500076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.500076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.500076 (E_RNA)
where:
Base-Base interactions energy: -85.801
where: short stacking energy: -44.572
Base-Backbone interact. energy: -0.252
local terms energy: -57.447012
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -10.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -149.544407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.544407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.944353 (E_RNA)
where:
Base-Base interactions energy: -87.364
where: short stacking energy: -49.078
Base-Backbone interact. energy: 0.076
local terms energy: -62.656578
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -11.467
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -12.366
Dist. restrs. and SS energy: 0.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -128.106224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.106224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.129819 (E_RNA)
where:
Base-Base interactions energy: -69.319
where: short stacking energy: -39.207
Base-Backbone interact. energy: -0.147
local terms energy: -58.663844
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -4.447
Dist. restrs. and SS energy: 0.024 (S_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: 438
Temperature: 1.300000
Total energy: -133.894302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.894302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.894302 (E_RNA)
where:
Base-Base interactions energy: -74.268
where: short stacking energy: -38.860
Base-Backbone interact. energy: -0.101
local terms energy: -59.525715
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -6.801
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -137.659182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.659182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.665834 (E_RNA)
where:
Base-Base interactions energy: -80.605
where: short stacking energy: -41.644
Base-Backbone interact. energy: -0.145
local terms energy: -56.916406
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -7.284
tors. eta vs tors. theta energy: -8.629
Dist. restrs. and SS energy: 0.007 (S_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: 439
Temperature: 0.900000
Total energy: -189.487221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.487221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.601369 (E_RNA)
where:
Base-Base interactions energy: -118.343
where: short stacking energy: -64.200
Base-Backbone interact. energy: -0.009
local terms energy: -71.249424
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -6.092
tors. eta vs tors. theta energy: -14.968
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -186.379321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.379321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.459991 (E_RNA)
where:
Base-Base interactions energy: -112.159
where: short stacking energy: -55.455
Base-Backbone interact. energy: -0.255
local terms energy: -74.045922
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -18.898
flat angles P-C4'-P energy: -6.468
tors. eta vs tors. theta energy: -15.106
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -174.946542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.946542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.352082 (E_RNA)
where:
Base-Base interactions energy: -107.746
where: short stacking energy: -63.837
Base-Backbone interact. energy: -0.297
local terms energy: -67.309401
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -5.719
tors. eta vs tors. theta energy: -18.617
Dist. restrs. and SS energy: 0.406 (S_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: 439
Temperature: 1.050000
Total energy: -175.024861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.024861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.428568 (E_RNA)
where:
Base-Base interactions energy: -107.891
where: short stacking energy: -63.086
Base-Backbone interact. energy: -0.106
local terms energy: -67.432074
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -16.202
Dist. restrs. and SS energy: 0.404 (S_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: 439
Temperature: 1.100000
Total energy: -163.188561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.188561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.188561 (E_RNA)
where:
Base-Base interactions energy: -98.379
where: short stacking energy: -58.985
Base-Backbone interact. energy: -0.067
local terms energy: -64.742517
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -14.183
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -157.477560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.477560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.678659 (E_RNA)
where:
Base-Base interactions energy: -87.531
where: short stacking energy: -41.619
Base-Backbone interact. energy: -0.096
local terms energy: -70.051332
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -14.363
Dist. restrs. and SS energy: 0.201 (S_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: 439
Temperature: 1.200000
Total energy: -163.232654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.232654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.510060 (E_RNA)
where:
Base-Base interactions energy: -101.362
where: short stacking energy: -56.148
Base-Backbone interact. energy: -0.250
local terms energy: -61.897591
where:
bonds (distance) C4'-P energy: -11.741
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -11.447
Dist. restrs. and SS energy: 0.277 (S_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: 439
Temperature: 1.250000
Total energy: -142.072796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.072796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.084635 (E_RNA)
where:
Base-Base interactions energy: -82.209
where: short stacking energy: -46.772
Base-Backbone interact. energy: -0.118
local terms energy: -59.757536
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -11.974
flat angles C4'-P-C4' energy: -10.606
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -9.645
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -114.213876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.213876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.257753 (E_RNA)
where:
Base-Base interactions energy: -59.969
where: short stacking energy: -29.690
Base-Backbone interact. energy: -0.404
local terms energy: -53.884538
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -1.337
Dist. restrs. and SS energy: 0.044 (S_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: 439
Temperature: 1.350000
Total energy: -137.486159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.486159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.635393 (E_RNA)
where:
Base-Base interactions energy: -81.990
where: short stacking energy: -43.723
Base-Backbone interact. energy: -0.227
local terms energy: -55.418285
where:
bonds (distance) C4'-P energy: -11.018
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -4.735
Dist. restrs. and SS energy: 0.149 (S_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: 440
Temperature: 0.900000
Total energy: -190.447607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.447607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.491795 (E_RNA)
where:
Base-Base interactions energy: -113.207
where: short stacking energy: -71.514
Base-Backbone interact. energy: -0.522
local terms energy: -76.762938
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -18.062
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -18.771
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -192.826896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.826896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.027102 (E_RNA)
where:
Base-Base interactions energy: -117.915
where: short stacking energy: -62.236
Base-Backbone interact. energy: -0.070
local terms energy: -75.042028
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -16.771
Dist. restrs. and SS energy: 0.200 (S_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: 440
Temperature: 1.000000
Total energy: -168.080145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.080145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.091594 (E_RNA)
where:
Base-Base interactions energy: -100.153
where: short stacking energy: -53.213
Base-Backbone interact. energy: -0.004
local terms energy: -67.934472
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -15.472
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -4.483
tors. eta vs tors. theta energy: -14.920
Dist. restrs. and SS energy: 0.011 (S_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: 440
Temperature: 1.050000
Total energy: -168.133079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.133079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.154003 (E_RNA)
where:
Base-Base interactions energy: -101.538
where: short stacking energy: -60.830
Base-Backbone interact. energy: -0.002
local terms energy: -66.613679
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -9.219
flat angles C4'-P-C4' energy: -10.813
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -17.993
Dist. restrs. and SS energy: 0.021 (S_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: 440
Temperature: 1.100000
Total energy: -161.923230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.923230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.964066 (E_RNA)
where:
Base-Base interactions energy: -96.652
where: short stacking energy: -56.190
Base-Backbone interact. energy: -0.022
local terms energy: -65.289846
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -13.050
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. 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: -149.215272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.215272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.324695 (E_RNA)
where:
Base-Base interactions energy: -83.022
where: short stacking energy: -44.499
Base-Backbone interact. energy: -0.307
local terms energy: -65.995673
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -14.270
Dist. restrs. and SS energy: 0.109 (S_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: 440
Temperature: 1.200000
Total energy: -160.832559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.832559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.055189 (E_RNA)
where:
Base-Base interactions energy: -92.841
where: short stacking energy: -52.187
Base-Backbone interact. energy: -0.195
local terms energy: -68.018645
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -12.748
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -16.977
Dist. restrs. and SS energy: 0.223 (S_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: 440
Temperature: 1.250000
Total energy: -131.225234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.225234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.225234 (E_RNA)
where:
Base-Base interactions energy: -73.012
where: short stacking energy: -36.728
Base-Backbone interact. energy: -0.360
local terms energy: -57.852511
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -8.882
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -12.353
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -151.809149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.809149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.813097 (E_RNA)
where:
Base-Base interactions energy: -93.975
where: short stacking energy: -57.034
Base-Backbone interact. energy: -0.631
local terms energy: -57.206666
where:
bonds (distance) C4'-P energy: -5.357
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -14.195
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -127.856732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.856732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.023694 (E_RNA)
where:
Base-Base interactions energy: -80.859
where: short stacking energy: -34.596
Base-Backbone interact. energy: -0.220
local terms energy: -46.944400
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -8.531
flat angles P-C4'-P energy: -4.154
tors. eta vs tors. theta energy: -8.506
Dist. restrs. and SS energy: 0.167 (S_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: 441
Temperature: 0.900000
Total energy: -192.987798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.987798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.121255 (E_RNA)
where:
Base-Base interactions energy: -118.145
where: short stacking energy: -72.866
Base-Backbone interact. energy: -0.000
local terms energy: -74.976196
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -18.224
Dist. restrs. and SS energy: 0.133 (S_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: 441
Temperature: 0.950000
Total energy: -195.598599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.598599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.598599 (E_RNA)
where:
Base-Base interactions energy: -118.472
where: short stacking energy: -73.448
Base-Backbone interact. energy: -0.997
local terms energy: -76.129356
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -17.785
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -21.100
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -174.553035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.553035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.022048 (E_RNA)
where:
Base-Base interactions energy: -103.536
where: short stacking energy: -62.552
Base-Backbone interact. energy: -0.847
local terms energy: -70.639455
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -13.414
Dist. restrs. and SS energy: 0.469 (S_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: 441
Temperature: 1.050000
Total energy: -177.657272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.657272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.741093 (E_RNA)
where:
Base-Base interactions energy: -101.884
where: short stacking energy: -64.656
Base-Backbone interact. energy: -0.235
local terms energy: -75.621503
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -18.452
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -17.772
Dist. restrs. and SS energy: 0.084 (S_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: 441
Temperature: 1.100000
Total energy: -146.090509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.090509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.230243 (E_RNA)
where:
Base-Base interactions energy: -79.617
where: short stacking energy: -42.451
Base-Backbone interact. energy: 0.035
local terms energy: -66.647512
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -8.986
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. 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: -144.844087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.844087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.287824 (E_RNA)
where:
Base-Base interactions energy: -84.524
where: short stacking energy: -41.405
Base-Backbone interact. energy: -0.068
local terms energy: -60.695449
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -6.722
Dist. restrs. and SS energy: 0.444 (S_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: 441
Temperature: 1.200000
Total energy: -145.911622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.911622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.946249 (E_RNA)
where:
Base-Base interactions energy: -83.330
where: short stacking energy: -52.451
Base-Backbone interact. energy: -1.559
local terms energy: -61.056477
where:
bonds (distance) C4'-P energy: -6.127
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -10.313
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. 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: -143.817860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.817860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.866651 (E_RNA)
where:
Base-Base interactions energy: -78.484
where: short stacking energy: -41.606
Base-Backbone interact. energy: -0.074
local terms energy: -65.308124
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -8.470
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -132.309656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.309656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.357750 (E_RNA)
where:
Base-Base interactions energy: -77.775
where: short stacking energy: -43.386
Base-Backbone interact. energy: -0.109
local terms energy: -54.473851
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -4.601
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -127.105229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.105229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.105229 (E_RNA)
where:
Base-Base interactions energy: -71.410
where: short stacking energy: -34.002
Base-Backbone interact. energy: -0.040
local terms energy: -55.654975
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: -7.033
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -192.016631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.016631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.084554 (E_RNA)
where:
Base-Base interactions energy: -117.570
where: short stacking energy: -68.169
Base-Backbone interact. energy: -0.064
local terms energy: -75.451097
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -19.726
Dist. restrs. and SS energy: 1.068 (S_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: 442
Temperature: 0.950000
Total energy: -187.427718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.427718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.624993 (E_RNA)
where:
Base-Base interactions energy: -107.734
where: short stacking energy: -61.511
Base-Backbone interact. energy: -0.021
local terms energy: -79.870071
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -14.527
flat angles C4'-P-C4' energy: -16.734
flat angles P-C4'-P energy: -14.408
tors. eta vs tors. theta energy: -18.179
Dist. restrs. and SS energy: 0.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -182.069595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.069595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.077095 (E_RNA)
where:
Base-Base interactions energy: -110.266
where: short stacking energy: -62.426
Base-Backbone interact. energy: -0.270
local terms energy: -71.541169
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -17.971
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -18.645
Dist. restrs. and SS energy: 0.007 (S_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: 442
Temperature: 1.050000
Total energy: -171.064782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.064782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.120845 (E_RNA)
where:
Base-Base interactions energy: -97.934
where: short stacking energy: -51.600
Base-Backbone interact. energy: -0.055
local terms energy: -73.131427
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -13.331
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -140.880257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.880257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.216074 (E_RNA)
where:
Base-Base interactions energy: -86.441
where: short stacking energy: -48.392
Base-Backbone interact. energy: -0.147
local terms energy: -54.628701
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -4.146
Dist. restrs. and SS energy: 0.336 (S_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: 442
Temperature: 1.150000
Total energy: -154.593596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.593596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.637832 (E_RNA)
where:
Base-Base interactions energy: -105.633
where: short stacking energy: -46.860
Base-Backbone interact. energy: -0.335
local terms energy: -48.670090
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -9.472
flat angles C4'-P-C4' energy: -9.341
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -8.064
Dist. restrs. and SS energy: 0.044 (S_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: 442
Temperature: 1.200000
Total energy: -137.543610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.543610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.543610 (E_RNA)
where:
Base-Base interactions energy: -76.991
where: short stacking energy: -47.036
Base-Backbone interact. energy: 1.153
local terms energy: -61.705932
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -11.695
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -8.208
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: 442
Temperature: 1.250000
Total energy: -140.182105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.182105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.452482 (E_RNA)
where:
Base-Base interactions energy: -87.370
where: short stacking energy: -43.603
Base-Backbone interact. energy: -0.328
local terms energy: -52.753978
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -13.619
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -5.840
tors. eta vs tors. theta energy: -5.754
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -126.077329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.077329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.091181 (E_RNA)
where:
Base-Base interactions energy: -72.163
where: short stacking energy: -39.987
Base-Backbone interact. energy: -0.137
local terms energy: -53.791576
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -10.937
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -7.253
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -121.477499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.477499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.477499 (E_RNA)
where:
Base-Base interactions energy: -71.630
where: short stacking energy: -33.873
Base-Backbone interact. energy: -0.549
local terms energy: -49.298341
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -10.320
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: -6.904
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: 6
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -193.256719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.256719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.277976 (E_RNA)
where:
Base-Base interactions energy: -117.607
where: short stacking energy: -66.972
Base-Backbone interact. energy: -0.081
local terms energy: -75.589675
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -18.501
flat angles P-C4'-P energy: -6.552
tors. eta vs tors. theta energy: -19.385
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -171.107277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.107277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.127876 (E_RNA)
where:
Base-Base interactions energy: -99.149
where: short stacking energy: -61.367
Base-Backbone interact. energy: -0.113
local terms energy: -71.866314
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -13.572
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -181.230342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.230342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.308579 (E_RNA)
where:
Base-Base interactions energy: -110.750
where: short stacking energy: -60.759
Base-Backbone interact. energy: -0.074
local terms energy: -70.484758
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -16.875
Dist. restrs. and SS energy: 0.078 (S_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: 443
Temperature: 1.050000
Total energy: -173.469024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.469024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.633542 (E_RNA)
where:
Base-Base interactions energy: -104.100
where: short stacking energy: -57.443
Base-Backbone interact. energy: 0.251
local terms energy: -69.784428
where:
bonds (distance) C4'-P energy: -17.331
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: -16.228
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -146.934337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.934337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.368507 (E_RNA)
where:
Base-Base interactions energy: -94.734
where: short stacking energy: -51.019
Base-Backbone interact. energy: -0.127
local terms energy: -52.508253
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -7.041
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -4.560
Dist. restrs. and SS energy: 0.434 (S_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: 443
Temperature: 1.150000
Total energy: -160.946415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.946415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.196156 (E_RNA)
where:
Base-Base interactions energy: -97.319
where: short stacking energy: -47.920
Base-Backbone interact. energy: -0.744
local terms energy: -63.133640
where:
bonds (distance) C4'-P energy: -6.869
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -14.189
Dist. restrs. and SS energy: 0.250 (S_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: 443
Temperature: 1.200000
Total energy: -145.412061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.412061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.468943 (E_RNA)
where:
Base-Base interactions energy: -87.364
where: short stacking energy: -51.438
Base-Backbone interact. energy: -0.104
local terms energy: -58.001240
where:
bonds (distance) C4'-P energy: -8.533
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -12.755
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. 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: -137.690257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.690257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.700395 (E_RNA)
where:
Base-Base interactions energy: -73.183
where: short stacking energy: -35.339
Base-Backbone interact. energy: 0.371
local terms energy: -64.887673
where:
bonds (distance) C4'-P energy: -7.759
bonds (distance) P-C4' energy: -17.677
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -13.399
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -133.383853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.383853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.433114 (E_RNA)
where:
Base-Base interactions energy: -70.848
where: short stacking energy: -42.110
Base-Backbone interact. energy: -0.104
local terms energy: -62.481269
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -11.462
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -132.227093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.227093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.227093 (E_RNA)
where:
Base-Base interactions energy: -75.549
where: short stacking energy: -34.708
Base-Backbone interact. energy: -0.075
local terms energy: -56.602732
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -5.768
tors. eta vs tors. theta energy: -8.324
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -180.953781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.953781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.953781 (E_RNA)
where:
Base-Base interactions energy: -101.381
where: short stacking energy: -70.572
Base-Backbone interact. energy: -0.002
local terms energy: -79.571138
where:
bonds (distance) C4'-P energy: -17.587
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -16.652
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -184.140020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.140020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.626989 (E_RNA)
where:
Base-Base interactions energy: -109.440
where: short stacking energy: -67.043
Base-Backbone interact. energy: -0.025
local terms energy: -75.162389
where:
bonds (distance) C4'-P energy: -18.551
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -15.008
Dist. restrs. and SS energy: 0.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -176.867609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.867609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.278034 (E_RNA)
where:
Base-Base interactions energy: -109.710
where: short stacking energy: -67.990
Base-Backbone interact. energy: -0.189
local terms energy: -67.379316
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -12.503
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -16.275
Dist. restrs. and SS energy: 0.410 (S_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: 444
Temperature: 1.050000
Total energy: -169.050073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.050073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.581758 (E_RNA)
where:
Base-Base interactions energy: -99.129
where: short stacking energy: -52.566
Base-Backbone interact. energy: -0.097
local terms energy: -70.355983
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -17.146
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -13.866
Dist. restrs. and SS energy: 0.532 (S_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: 444
Temperature: 1.100000
Total energy: -153.084754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.084754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.110922 (E_RNA)
where:
Base-Base interactions energy: -84.241
where: short stacking energy: -47.906
Base-Backbone interact. energy: -0.078
local terms energy: -68.792083
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -10.515
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. 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: -141.596322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.596322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.687817 (E_RNA)
where:
Base-Base interactions energy: -77.360
where: short stacking energy: -47.204
Base-Backbone interact. energy: -0.090
local terms energy: -64.237246
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -11.840
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -8.640
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -135.288196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.288196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.288196 (E_RNA)
where:
Base-Base interactions energy: -74.863
where: short stacking energy: -41.874
Base-Backbone interact. energy: -0.001
local terms energy: -60.424347
where:
bonds (distance) C4'-P energy: -17.667
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -5.599
tors. eta vs tors. theta energy: -9.026
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: 2
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -134.066595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.066595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.229863 (E_RNA)
where:
Base-Base interactions energy: -74.661
where: short stacking energy: -42.198
Base-Backbone interact. energy: -0.313
local terms energy: -59.255464
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -7.134
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -116.533850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.533850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.533850 (E_RNA)
where:
Base-Base interactions energy: -63.166
where: short stacking energy: -29.001
Base-Backbone interact. energy: -0.334
local terms energy: -53.034086
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -7.158
tors. eta vs tors. theta energy: 0.319
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -129.640936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.640936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.025807 (E_RNA)
where:
Base-Base interactions energy: -77.711
where: short stacking energy: -39.997
Base-Backbone interact. energy: 0.163
local terms energy: -52.478567
where:
bonds (distance) C4'-P energy: -8.778
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -7.818
Dist. restrs. and SS energy: 0.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -178.558455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.558455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.558455 (E_RNA)
where:
Base-Base interactions energy: -107.257
where: short stacking energy: -62.455
Base-Backbone interact. energy: -0.613
local terms energy: -70.687955
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -15.611
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -182.637879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.637879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.637879 (E_RNA)
where:
Base-Base interactions energy: -109.338
where: short stacking energy: -57.643
Base-Backbone interact. energy: -0.208
local terms energy: -73.092286
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -16.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -174.247211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.247211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.546645 (E_RNA)
where:
Base-Base interactions energy: -103.924
where: short stacking energy: -64.127
Base-Backbone interact. energy: -0.006
local terms energy: -70.617022
where:
bonds (distance) C4'-P energy: -11.667
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -15.749
Dist. restrs. and SS energy: 0.299 (S_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: 445
Temperature: 1.050000
Total energy: -169.637966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.637966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.962463 (E_RNA)
where:
Base-Base interactions energy: -93.362
where: short stacking energy: -42.965
Base-Backbone interact. energy: -0.322
local terms energy: -76.277917
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -14.247
Dist. restrs. and SS energy: 0.324 (S_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: 445
Temperature: 1.100000
Total energy: -156.881501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.881501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.891325 (E_RNA)
where:
Base-Base interactions energy: -94.760
where: short stacking energy: -54.939
Base-Backbone interact. energy: -0.135
local terms energy: -61.996248
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -11.159
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -6.358
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -142.652308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.652308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.744834 (E_RNA)
where:
Base-Base interactions energy: -79.810
where: short stacking energy: -51.621
Base-Backbone interact. energy: -1.009
local terms energy: -61.925515
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -8.524
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -138.517249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.517249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.517249 (E_RNA)
where:
Base-Base interactions energy: -78.727
where: short stacking energy: -44.978
Base-Backbone interact. energy: -0.645
local terms energy: -59.145136
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -11.560
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -8.039
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -122.105223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.105223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.147817 (E_RNA)
where:
Base-Base interactions energy: -70.957
where: short stacking energy: -46.748
Base-Backbone interact. energy: -0.100
local terms energy: -51.091335
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -7.388
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -7.015
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -139.642092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.642092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.642092 (E_RNA)
where:
Base-Base interactions energy: -82.771
where: short stacking energy: -45.147
Base-Backbone interact. energy: -0.405
local terms energy: -56.466036
where:
bonds (distance) C4'-P energy: -9.126
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -4.318
tors. eta vs tors. theta energy: -10.506
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: 10
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -123.089972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.089972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.089972 (E_RNA)
where:
Base-Base interactions energy: -80.357
where: short stacking energy: -44.388
Base-Backbone interact. energy: -0.266
local terms energy: -42.467473
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -3.988
flat angles C4'-P-C4' energy: -11.919
flat angles P-C4'-P energy: -4.798
tors. eta vs tors. theta energy: -10.050
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -195.889091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.889091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.909283 (E_RNA)
where:
Base-Base interactions energy: -124.469
where: short stacking energy: -77.912
Base-Backbone interact. energy: -0.428
local terms energy: -71.012113
where:
bonds (distance) C4'-P energy: -9.502
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -17.860
Dist. restrs. and SS energy: 0.020 (S_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: 446
Temperature: 0.950000
Total energy: -185.550925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.550925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.824104 (E_RNA)
where:
Base-Base interactions energy: -116.134
where: short stacking energy: -63.555
Base-Backbone interact. energy: -0.102
local terms energy: -69.588205
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -13.823
Dist. restrs. and SS energy: 0.273 (S_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: 446
Temperature: 1.000000
Total energy: -181.235949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.235949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.354167 (E_RNA)
where:
Base-Base interactions energy: -112.123
where: short stacking energy: -65.653
Base-Backbone interact. energy: -0.008
local terms energy: -69.223743
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -16.892
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. 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: -161.855172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.855172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.461825 (E_RNA)
where:
Base-Base interactions energy: -95.064
where: short stacking energy: -52.434
Base-Backbone interact. energy: -0.107
local terms energy: -67.290808
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -11.529
Dist. restrs. and SS energy: 0.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -149.732807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.732807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.772709 (E_RNA)
where:
Base-Base interactions energy: -86.222
where: short stacking energy: -49.516
Base-Backbone interact. energy: -0.087
local terms energy: -63.464358
where:
bonds (distance) C4'-P energy: -9.919
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -5.583
tors. eta vs tors. theta energy: -14.777
Dist. restrs. and SS energy: 0.040 (S_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: 446
Temperature: 1.150000
Total energy: -144.025814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.025814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.051354 (E_RNA)
where:
Base-Base interactions energy: -81.571
where: short stacking energy: -47.631
Base-Backbone interact. energy: -0.091
local terms energy: -62.389319
where:
bonds (distance) C4'-P energy: -10.702
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -11.686
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -131.743360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.743360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.748495 (E_RNA)
where:
Base-Base interactions energy: -77.764
where: short stacking energy: -30.176
Base-Backbone interact. energy: -0.566
local terms energy: -53.418659
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -7.146
tors. eta vs tors. theta energy: -0.383
Dist. restrs. and SS energy: 0.005 (S_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: 446
Temperature: 1.250000
Total energy: -142.856014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.856014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.856014 (E_RNA)
where:
Base-Base interactions energy: -87.360
where: short stacking energy: -46.757
Base-Backbone interact. energy: -0.082
local terms energy: -55.413861
where:
bonds (distance) C4'-P energy: -7.909
bonds (distance) P-C4' energy: -17.539
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -4.824
tors. eta vs tors. theta energy: -8.135
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -123.277813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.277813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.401207 (E_RNA)
where:
Base-Base interactions energy: -67.287
where: short stacking energy: -32.063
Base-Backbone interact. energy: 0.454
local terms energy: -56.567509
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: -6.797
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -145.218615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.218615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.328616 (E_RNA)
where:
Base-Base interactions energy: -82.734
where: short stacking energy: -46.054
Base-Backbone interact. energy: -0.291
local terms energy: -62.304059
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -10.742
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: -8.650
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -184.628834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.628834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.259666 (E_RNA)
where:
Base-Base interactions energy: -112.419
where: short stacking energy: -50.004
Base-Backbone interact. energy: -0.242
local terms energy: -72.598990
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -17.082
Dist. restrs. and SS energy: 0.631 (S_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: 447
Temperature: 0.950000
Total energy: -190.597698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.597698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.597698 (E_RNA)
where:
Base-Base interactions energy: -115.262
where: short stacking energy: -75.917
Base-Backbone interact. energy: 0.934
local terms energy: -76.270264
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -18.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -170.622121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.622121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.622121 (E_RNA)
where:
Base-Base interactions energy: -92.583
where: short stacking energy: -54.279
Base-Backbone interact. energy: -0.754
local terms energy: -77.285300
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -13.379
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -169.369590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.369590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.369590 (E_RNA)
where:
Base-Base interactions energy: -97.806
where: short stacking energy: -57.827
Base-Backbone interact. energy: -0.003
local terms energy: -71.560032
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -14.319
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -17.492
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: 8
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -162.615960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.615960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.633477 (E_RNA)
where:
Base-Base interactions energy: -91.647
where: short stacking energy: -53.058
Base-Backbone interact. energy: -0.121
local terms energy: -70.865859
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -10.622
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -151.220502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.220502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.220502 (E_RNA)
where:
Base-Base interactions energy: -90.734
where: short stacking energy: -58.003
Base-Backbone interact. energy: -0.200
local terms energy: -60.286413
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -10.696
flat angles P-C4'-P energy: -6.566
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: 7, replica: 7
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -140.801202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.801202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.866127 (E_RNA)
where:
Base-Base interactions energy: -77.825
where: short stacking energy: -43.653
Base-Backbone interact. energy: -0.265
local terms energy: -62.776171
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -6.688
Dist. restrs. and SS energy: 0.065 (S_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: 447
Temperature: 1.250000
Total energy: -142.406167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.406167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.406167 (E_RNA)
where:
Base-Base interactions energy: -86.577
where: short stacking energy: -43.378
Base-Backbone interact. energy: -0.144
local terms energy: -55.685600
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -6.560
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: 9
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -120.966357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.966357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.131859 (E_RNA)
where:
Base-Base interactions energy: -72.887
where: short stacking energy: -41.190
Base-Backbone interact. energy: 0.653
local terms energy: -48.896929
where:
bonds (distance) C4'-P energy: -13.670
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -8.186
flat angles P-C4'-P energy: -5.940
tors. eta vs tors. theta energy: -4.604
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -116.873779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.873779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.045133 (E_RNA)
where:
Base-Base interactions energy: -60.316
where: short stacking energy: -30.871
Base-Backbone interact. energy: -0.077
local terms energy: -56.651316
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -10.636
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -3.098
Dist. restrs. and SS energy: 0.171 (S_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: 448
Temperature: 0.900000
Total energy: -196.703834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.703834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.994856 (E_RNA)
where:
Base-Base interactions energy: -118.334
where: short stacking energy: -64.590
Base-Backbone interact. energy: -0.318
local terms energy: -78.342921
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -15.277
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -18.089
Dist. restrs. and SS energy: 0.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -200.103097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.103097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.197876 (E_RNA)
where:
Base-Base interactions energy: -125.997
where: short stacking energy: -65.670
Base-Backbone interact. energy: -0.560
local terms energy: -73.641528
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -15.189
Dist. restrs. and SS energy: 0.095 (S_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: 448
Temperature: 1.000000
Total energy: -182.379255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.379255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.379255 (E_RNA)
where:
Base-Base interactions energy: -108.651
where: short stacking energy: -63.532
Base-Backbone interact. energy: 0.095
local terms energy: -73.823973
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -18.150
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: 5
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -162.691623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.691623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.708244 (E_RNA)
where:
Base-Base interactions energy: -94.183
where: short stacking energy: -48.487
Base-Backbone interact. energy: -0.185
local terms energy: -68.340015
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -13.558
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -12.755
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -170.401425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.401425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.578025 (E_RNA)
where:
Base-Base interactions energy: -102.692
where: short stacking energy: -48.984
Base-Backbone interact. energy: -0.016
local terms energy: -67.869842
where:
bonds (distance) C4'-P energy: -8.852
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -15.900
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -144.172075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.172075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.172075 (E_RNA)
where:
Base-Base interactions energy: -81.367
where: short stacking energy: -36.235
Base-Backbone interact. energy: -0.600
local terms energy: -62.205959
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -6.494
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: 10
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -149.406212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.406212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.480510 (E_RNA)
where:
Base-Base interactions energy: -87.173
where: short stacking energy: -43.743
Base-Backbone interact. energy: -0.214
local terms energy: -62.093653
where:
bonds (distance) C4'-P energy: -10.220
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -14.476
Dist. restrs. and SS energy: 0.074 (S_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: 448
Temperature: 1.250000
Total energy: -135.485839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.485839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.600227 (E_RNA)
where:
Base-Base interactions energy: -80.149
where: short stacking energy: -42.797
Base-Backbone interact. energy: 0.925
local terms energy: -56.375525
where:
bonds (distance) C4'-P energy: -10.528
bonds (distance) P-C4' energy: -18.517
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -6.193
tors. eta vs tors. theta energy: -8.836
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. 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: -129.939977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.939977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.989837 (E_RNA)
where:
Base-Base interactions energy: -76.573
where: short stacking energy: -31.857
Base-Backbone interact. energy: -0.028
local terms energy: -53.388503
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -5.721
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -115.942844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.942844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.080411 (E_RNA)
where:
Base-Base interactions energy: -70.765
where: short stacking energy: -37.030
Base-Backbone interact. energy: -0.338
local terms energy: -44.977394
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -3.352
tors. eta vs tors. theta energy: -1.227
Dist. restrs. and SS energy: 0.138 (S_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: 449
Temperature: 0.900000
Total energy: -185.532669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.532669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.532669 (E_RNA)
where:
Base-Base interactions energy: -110.937
where: short stacking energy: -59.327
Base-Backbone interact. energy: -0.112
local terms energy: -74.483471
where:
bonds (distance) C4'-P energy: -12.945
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -21.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -210.598707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.598707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.601576 (E_RNA)
where:
Base-Base interactions energy: -132.933
where: short stacking energy: -64.465
Base-Backbone interact. energy: 1.835
local terms energy: -79.503665
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -19.194
Dist. restrs. and SS energy: 0.003 (S_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: 449
Temperature: 1.000000
Total energy: -184.560845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.560845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.560845 (E_RNA)
where:
Base-Base interactions energy: -111.711
where: short stacking energy: -67.996
Base-Backbone interact. energy: -0.021
local terms energy: -72.829066
where:
bonds (distance) C4'-P energy: -12.582
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -18.107
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -171.512141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.512141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.770299 (E_RNA)
where:
Base-Base interactions energy: -115.502
where: short stacking energy: -65.524
Base-Backbone interact. energy: -1.101
local terms energy: -55.167952
where:
bonds (distance) C4'-P energy: -6.748
bonds (distance) P-C4' energy: -12.515
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -13.232
Dist. restrs. and SS energy: 0.258 (S_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: 449
Temperature: 1.100000
Total energy: -167.167319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.167319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.485372 (E_RNA)
where:
Base-Base interactions energy: -108.106
where: short stacking energy: -57.768
Base-Backbone interact. energy: -0.209
local terms energy: -59.170159
where:
bonds (distance) C4'-P energy: -13.302
bonds (distance) P-C4' energy: -7.891
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -14.508
Dist. restrs. and SS energy: 0.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -140.318583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.318583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.318583 (E_RNA)
where:
Base-Base interactions energy: -79.233
where: short stacking energy: -43.352
Base-Backbone interact. energy: -0.040
local terms energy: -61.045441
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -12.575
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -9.791
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: 7, replica: 1
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -145.118178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.118178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.363897 (E_RNA)
where:
Base-Base interactions energy: -81.563
where: short stacking energy: -37.243
Base-Backbone interact. energy: -0.479
local terms energy: -63.322165
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -8.611
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: -12.640
Dist. restrs. and SS energy: 0.246 (S_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: 449
Temperature: 1.250000
Total energy: -131.684287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.684287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.938144 (E_RNA)
where:
Base-Base interactions energy: -69.122
where: short stacking energy: -44.489
Base-Backbone interact. energy: -0.148
local terms energy: -62.668361
where:
bonds (distance) C4'-P energy: -10.434
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -10.797
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -122.198250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.198250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.198250 (E_RNA)
where:
Base-Base interactions energy: -68.823
where: short stacking energy: -40.583
Base-Backbone interact. energy: -0.240
local terms energy: -53.134681
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -9.402
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -5.459
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -113.648116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.648116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.665419 (E_RNA)
where:
Base-Base interactions energy: -65.383
where: short stacking energy: -35.728
Base-Backbone interact. energy: 0.088
local terms energy: -48.371110
where:
bonds (distance) C4'-P energy: -12.958
bonds (distance) P-C4' energy: -11.540
flat angles C4'-P-C4' energy: -11.216
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -3.940
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -184.649342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.649342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.809806 (E_RNA)
where:
Base-Base interactions energy: -117.800
where: short stacking energy: -61.518
Base-Backbone interact. energy: -0.097
local terms energy: -66.913281
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -13.277
Dist. restrs. and SS energy: 0.160 (S_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: 450
Temperature: 0.950000
Total energy: -182.079165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.079165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.224432 (E_RNA)
where:
Base-Base interactions energy: -112.168
where: short stacking energy: -55.497
Base-Backbone interact. energy: -0.174
local terms energy: -69.882449
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -12.735
Dist. restrs. and SS energy: 0.145 (S_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: 450
Temperature: 1.000000
Total energy: -177.198310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.198310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.221583 (E_RNA)
where:
Base-Base interactions energy: -109.875
where: short stacking energy: -57.419
Base-Backbone interact. energy: -0.036
local terms energy: -67.310722
where:
bonds (distance) C4'-P energy: -18.058
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -12.524
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -162.399690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.399690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.406809 (E_RNA)
where:
Base-Base interactions energy: -91.571
where: short stacking energy: -53.055
Base-Backbone interact. energy: -0.057
local terms energy: -70.779297
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -12.799
Dist. restrs. and SS energy: 0.007 (S_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: 450
Temperature: 1.100000
Total energy: -162.429673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.429673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.452563 (E_RNA)
where:
Base-Base interactions energy: -105.262
where: short stacking energy: -60.400
Base-Backbone interact. energy: 1.089
local terms energy: -58.279627
where:
bonds (distance) C4'-P energy: -9.907
bonds (distance) P-C4' energy: -9.823
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -15.484
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -154.613356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.613356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.630097 (E_RNA)
where:
Base-Base interactions energy: -85.402
where: short stacking energy: -46.190
Base-Backbone interact. energy: -0.671
local terms energy: -68.557739
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -12.174
Dist. restrs. and SS energy: 0.017 (S_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: 450
Temperature: 1.200000
Total energy: -161.809125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.809125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.022598 (E_RNA)
where:
Base-Base interactions energy: -96.964
where: short stacking energy: -47.190
Base-Backbone interact. energy: -0.222
local terms energy: -64.836009
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -10.304
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -132.257351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.257351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.288885 (E_RNA)
where:
Base-Base interactions energy: -77.316
where: short stacking energy: -33.435
Base-Backbone interact. energy: -1.634
local terms energy: -53.338833
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -5.544
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -132.811228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.811228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.816665 (E_RNA)
where:
Base-Base interactions energy: -78.838
where: short stacking energy: -43.216
Base-Backbone interact. energy: -0.462
local terms energy: -53.516684
where:
bonds (distance) C4'-P energy: -17.148
bonds (distance) P-C4' energy: -8.920
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -4.352
tors. eta vs tors. theta energy: -10.997
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -117.861448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.861448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.866221 (E_RNA)
where:
Base-Base interactions energy: -64.863
where: short stacking energy: -37.468
Base-Backbone interact. energy: 0.790
local terms energy: -53.793230
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -15.309
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -3.577
tors. eta vs tors. theta energy: -10.968
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -182.461203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.461203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.670801 (E_RNA)
where:
Base-Base interactions energy: -110.506
where: short stacking energy: -56.019
Base-Backbone interact. energy: 0.669
local terms energy: -72.834267
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -15.337
tors. eta vs tors. theta energy: -8.312
Dist. restrs. and SS energy: 0.210 (S_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: 451
Temperature: 0.950000
Total energy: -191.072770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.072770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.125695 (E_RNA)
where:
Base-Base interactions energy: -115.142
where: short stacking energy: -67.116
Base-Backbone interact. energy: -0.023
local terms energy: -75.960050
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -13.520
tors. eta vs tors. theta energy: -16.444
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -172.399583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.399583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.762989 (E_RNA)
where:
Base-Base interactions energy: -113.658
where: short stacking energy: -57.849
Base-Backbone interact. energy: 0.247
local terms energy: -59.352055
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -5.197
tors. eta vs tors. theta energy: -12.965
Dist. restrs. and SS energy: 0.363 (S_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: 451
Temperature: 1.050000
Total energy: -164.387940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.387940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.387940 (E_RNA)
where:
Base-Base interactions energy: -94.574
where: short stacking energy: -58.519
Base-Backbone interact. energy: -0.035
local terms energy: -69.778770
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -15.799
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: 5, replica: 8
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -157.559892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.559892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.559892 (E_RNA)
where:
Base-Base interactions energy: -86.287
where: short stacking energy: -50.522
Base-Backbone interact. energy: -0.020
local terms energy: -71.252696
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -18.659
flat angles C4'-P-C4' energy: -10.451
flat angles P-C4'-P energy: -6.074
tors. eta vs tors. theta energy: -18.705
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: 2
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -158.004424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.004424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.116969 (E_RNA)
where:
Base-Base interactions energy: -85.486
where: short stacking energy: -45.308
Base-Backbone interact. energy: -1.961
local terms energy: -70.670363
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -13.454
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -163.940143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.940143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.578761 (E_RNA)
where:
Base-Base interactions energy: -95.348
where: short stacking energy: -52.023
Base-Backbone interact. energy: -0.053
local terms energy: -69.178192
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -6.175
tors. eta vs tors. theta energy: -16.721
Dist. restrs. and SS energy: 0.639 (S_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: 451
Temperature: 1.250000
Total energy: -149.319250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.319250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.319250 (E_RNA)
where:
Base-Base interactions energy: -89.968
where: short stacking energy: -47.544
Base-Backbone interact. energy: -0.006
local terms energy: -59.345129
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -9.310
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -131.628397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.628397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.691921 (E_RNA)
where:
Base-Base interactions energy: -68.007
where: short stacking energy: -39.202
Base-Backbone interact. energy: -0.065
local terms energy: -63.619943
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -19.048
flat angles P-C4'-P energy: -3.435
tors. eta vs tors. theta energy: -11.316
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -123.663530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.663530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.663530 (E_RNA)
where:
Base-Base interactions energy: -68.032
where: short stacking energy: -36.667
Base-Backbone interact. energy: 0.756
local terms energy: -56.387972
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -11.414
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -6.410
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -208.190891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.190891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.346535 (E_RNA)
where:
Base-Base interactions energy: -121.691
where: short stacking energy: -75.902
Base-Backbone interact. energy: -0.001
local terms energy: -86.654064
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -19.448
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -20.848
Dist. restrs. and SS energy: 0.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -194.151733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.151733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.151733 (E_RNA)
where:
Base-Base interactions energy: -119.983
where: short stacking energy: -63.602
Base-Backbone interact. energy: -0.586
local terms energy: -73.583072
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -17.760
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -12.590
tors. eta vs tors. theta energy: -14.476
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: 452
Temperature: 1.000000
Total energy: -184.072157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.072157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.318763 (E_RNA)
where:
Base-Base interactions energy: -111.197
where: short stacking energy: -58.334
Base-Backbone interact. energy: -0.200
local terms energy: -72.922360
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -19.370
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -14.433
Dist. restrs. and SS energy: 0.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -183.791754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.791754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.799145 (E_RNA)
where:
Base-Base interactions energy: -106.169
where: short stacking energy: -63.172
Base-Backbone interact. energy: -0.242
local terms energy: -77.387837
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -16.373
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -19.618
Dist. restrs. and SS energy: 0.007 (S_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: 452
Temperature: 1.100000
Total energy: -151.897347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.897347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.927695 (E_RNA)
where:
Base-Base interactions energy: -86.743
where: short stacking energy: -41.547
Base-Backbone interact. energy: -0.041
local terms energy: -65.143762
where:
bonds (distance) C4'-P energy: -11.203
bonds (distance) P-C4' energy: -15.714
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -12.795
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -150.374219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.374219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.379008 (E_RNA)
where:
Base-Base interactions energy: -84.649
where: short stacking energy: -41.172
Base-Backbone interact. energy: -0.005
local terms energy: -65.724932
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -10.609
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -148.447955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.447955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.462373 (E_RNA)
where:
Base-Base interactions energy: -80.686
where: short stacking energy: -45.006
Base-Backbone interact. energy: -0.009
local terms energy: -67.766827
where:
bonds (distance) C4'-P energy: -17.872
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -16.953
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -12.352
Dist. restrs. and SS energy: 0.014 (S_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: 452
Temperature: 1.250000
Total energy: -141.085469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.085469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.166422 (E_RNA)
where:
Base-Base interactions energy: -71.284
where: short stacking energy: -40.499
Base-Backbone interact. energy: -0.101
local terms energy: -69.780609
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -12.854
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -125.685375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.685375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.687209 (E_RNA)
where:
Base-Base interactions energy: -69.693
where: short stacking energy: -38.391
Base-Backbone interact. energy: -0.270
local terms energy: -55.723491
where:
bonds (distance) C4'-P energy: -12.618
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -3.406
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -139.353392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.353392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.734340 (E_RNA)
where:
Base-Base interactions energy: -80.834
where: short stacking energy: -37.069
Base-Backbone interact. energy: -0.174
local terms energy: -58.726614
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -15.757
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -7.379
Dist. restrs. and SS energy: 0.381 (S_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: 453
Temperature: 0.900000
Total energy: -213.189581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.189581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.399135 (E_RNA)
where:
Base-Base interactions energy: -132.990
where: short stacking energy: -81.168
Base-Backbone interact. energy: -1.332
local terms energy: -79.076616
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -23.113
Dist. restrs. and SS energy: 0.210 (S_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: 453
Temperature: 0.950000
Total energy: -179.484146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.484146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.549155 (E_RNA)
where:
Base-Base interactions energy: -109.889
where: short stacking energy: -59.202
Base-Backbone interact. energy: -0.040
local terms energy: -69.620635
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -8.690
flat angles P-C4'-P energy: -13.119
tors. eta vs tors. theta energy: -14.835
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -191.884275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.884275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.304735 (E_RNA)
where:
Base-Base interactions energy: -122.992
where: short stacking energy: -65.983
Base-Backbone interact. energy: -0.518
local terms energy: -68.794500
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -12.978
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -15.025
Dist. restrs. and SS energy: 0.420 (S_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: 453
Temperature: 1.050000
Total energy: -166.758508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.758508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.779229 (E_RNA)
where:
Base-Base interactions energy: -102.590
where: short stacking energy: -60.030
Base-Backbone interact. energy: -0.002
local terms energy: -64.187314
where:
bonds (distance) C4'-P energy: -11.554
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -14.050
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -158.034412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.034412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.054785 (E_RNA)
where:
Base-Base interactions energy: -96.294
where: short stacking energy: -47.685
Base-Backbone interact. energy: -1.061
local terms energy: -60.699110
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -5.873
tors. eta vs tors. theta energy: -12.361
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -166.075474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.075474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.493199 (E_RNA)
where:
Base-Base interactions energy: -89.588
where: short stacking energy: -51.535
Base-Backbone interact. energy: -0.607
local terms energy: -76.298413
where:
bonds (distance) C4'-P energy: -16.552
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -15.789
Dist. restrs. and SS energy: 0.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -151.193825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.193825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.193825 (E_RNA)
where:
Base-Base interactions energy: -87.539
where: short stacking energy: -56.765
Base-Backbone interact. energy: -0.098
local terms energy: -63.556284
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -12.179
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -148.192805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.192805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.192805 (E_RNA)
where:
Base-Base interactions energy: -88.584
where: short stacking energy: -53.843
Base-Backbone interact. energy: -0.338
local terms energy: -59.271285
where:
bonds (distance) C4'-P energy: -9.345
bonds (distance) P-C4' energy: -10.674
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -17.971
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -120.488685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.488685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.721286 (E_RNA)
where:
Base-Base interactions energy: -65.369
where: short stacking energy: -41.269
Base-Backbone interact. energy: 0.253
local terms energy: -55.605289
where:
bonds (distance) C4'-P energy: -18.014
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -9.823
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -4.827
Dist. restrs. and SS energy: 0.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -127.318989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.318989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.318989 (E_RNA)
where:
Base-Base interactions energy: -65.695
where: short stacking energy: -35.968
Base-Backbone interact. energy: 2.093
local terms energy: -63.716839
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -4.582
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -200.937524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.937524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.937524 (E_RNA)
where:
Base-Base interactions energy: -115.675
where: short stacking energy: -68.736
Base-Backbone interact. energy: -0.002
local terms energy: -85.260431
where:
bonds (distance) C4'-P energy: -18.804
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -18.354
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -18.491
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -183.563933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.563933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.563933 (E_RNA)
where:
Base-Base interactions energy: -107.937
where: short stacking energy: -58.743
Base-Backbone interact. energy: -1.167
local terms energy: -74.460480
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -17.613
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: 4
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -186.185812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.185812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.212802 (E_RNA)
where:
Base-Base interactions energy: -115.208
where: short stacking energy: -72.143
Base-Backbone interact. energy: -0.002
local terms energy: -71.002723
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -12.916
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -18.217
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -179.156937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.156937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.218863 (E_RNA)
where:
Base-Base interactions energy: -109.009
where: short stacking energy: -59.804
Base-Backbone interact. energy: -0.005
local terms energy: -70.204734
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -17.553
Dist. restrs. and SS energy: 0.062 (S_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: 454
Temperature: 1.100000
Total energy: -152.867700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.867700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.867700 (E_RNA)
where:
Base-Base interactions energy: -85.701
where: short stacking energy: -48.205
Base-Backbone interact. energy: 0.268
local terms energy: -67.434346
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -11.245
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -153.917030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.917030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.983620 (E_RNA)
where:
Base-Base interactions energy: -87.531
where: short stacking energy: -47.463
Base-Backbone interact. energy: 0.211
local terms energy: -66.663810
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -14.991
Dist. restrs. and SS energy: 0.067 (S_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: 454
Temperature: 1.200000
Total energy: -145.913182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.913182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.913182 (E_RNA)
where:
Base-Base interactions energy: -88.615
where: short stacking energy: -50.586
Base-Backbone interact. energy: -0.081
local terms energy: -57.217402
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -9.145
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -13.016
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: 8
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -138.612142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.612142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.889346 (E_RNA)
where:
Base-Base interactions energy: -79.225
where: short stacking energy: -38.211
Base-Backbone interact. energy: -0.277
local terms energy: -59.387954
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -4.378
tors. eta vs tors. theta energy: -6.419
Dist. restrs. and SS energy: 0.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -133.594401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.594401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.205040 (E_RNA)
where:
Base-Base interactions energy: -76.722
where: short stacking energy: -40.182
Base-Backbone interact. energy: -1.189
local terms energy: -56.293584
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -11.486
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -5.014
Dist. restrs. and SS energy: 0.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -128.757177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.757177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.927859 (E_RNA)
where:
Base-Base interactions energy: -67.789
where: short stacking energy: -39.136
Base-Backbone interact. energy: -0.211
local terms energy: -60.927697
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -18.278
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -8.169
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -192.805038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.805038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.805038 (E_RNA)
where:
Base-Base interactions energy: -111.810
where: short stacking energy: -63.059
Base-Backbone interact. energy: -0.048
local terms energy: -80.947549
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -18.480
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -196.365993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.365993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.628170 (E_RNA)
where:
Base-Base interactions energy: -123.678
where: short stacking energy: -69.926
Base-Backbone interact. energy: 0.420
local terms energy: -73.370148
where:
bonds (distance) C4'-P energy: -8.574
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -18.050
flat angles P-C4'-P energy: -12.752
tors. eta vs tors. theta energy: -17.372
Dist. restrs. and SS energy: 0.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -185.056175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.056175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.160162 (E_RNA)
where:
Base-Base interactions energy: -104.343
where: short stacking energy: -59.164
Base-Backbone interact. energy: -0.004
local terms energy: -80.812434
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -14.464
tors. eta vs tors. theta energy: -18.231
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -174.891078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.891078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.287739 (E_RNA)
where:
Base-Base interactions energy: -101.367
where: short stacking energy: -50.480
Base-Backbone interact. energy: -0.192
local terms energy: -73.728555
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -14.407
Dist. restrs. and SS energy: 0.397 (S_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: 455
Temperature: 1.100000
Total energy: -151.650699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.650699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.875396 (E_RNA)
where:
Base-Base interactions energy: -88.125
where: short stacking energy: -47.722
Base-Backbone interact. energy: -0.086
local terms energy: -63.664667
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -6.833
tors. eta vs tors. theta energy: -11.381
Dist. restrs. and SS energy: 0.225 (S_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: 455
Temperature: 1.150000
Total energy: -175.930810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.930810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.121822 (E_RNA)
where:
Base-Base interactions energy: -107.122
where: short stacking energy: -57.122
Base-Backbone interact. energy: -0.102
local terms energy: -68.897086
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -11.999
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -14.017
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -153.933990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.933990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.933990 (E_RNA)
where:
Base-Base interactions energy: -89.487
where: short stacking energy: -54.616
Base-Backbone interact. energy: -0.128
local terms energy: -64.319201
where:
bonds (distance) C4'-P energy: -7.444
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -16.821
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -128.756825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.756825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.863250 (E_RNA)
where:
Base-Base interactions energy: -72.828
where: short stacking energy: -37.906
Base-Backbone interact. energy: -0.342
local terms energy: -55.692355
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -2.049
tors. eta vs tors. theta energy: -8.921
Dist. restrs. and SS energy: 0.106 (S_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: -140.382555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.382555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.459498 (E_RNA)
where:
Base-Base interactions energy: -78.445
where: short stacking energy: -36.913
Base-Backbone interact. energy: -0.002
local terms energy: -62.011858
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -5.582
tors. eta vs tors. theta energy: -8.626
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -129.254659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.254659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.254659 (E_RNA)
where:
Base-Base interactions energy: -65.309
where: short stacking energy: -31.268
Base-Backbone interact. energy: -0.591
local terms energy: -63.354886
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -12.724
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -9.643
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: 1, replica: 4
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -189.145707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.145707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.457272 (E_RNA)
where:
Base-Base interactions energy: -108.259
where: short stacking energy: -60.027
Base-Backbone interact. energy: -0.017
local terms energy: -81.181987
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -14.389
tors. eta vs tors. theta energy: -17.396
Dist. restrs. and SS energy: 0.312 (S_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: 456
Temperature: 0.950000
Total energy: -189.147964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.147964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.281898 (E_RNA)
where:
Base-Base interactions energy: -110.372
where: short stacking energy: -60.556
Base-Backbone interact. energy: -0.499
local terms energy: -78.410894
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -18.466
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -194.168919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.168919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.215469 (E_RNA)
where:
Base-Base interactions energy: -118.890
where: short stacking energy: -70.403
Base-Backbone interact. energy: -0.051
local terms energy: -75.273630
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -19.575
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -166.031617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.031617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.085778 (E_RNA)
where:
Base-Base interactions energy: -97.991
where: short stacking energy: -54.632
Base-Backbone interact. energy: -0.168
local terms energy: -67.926302
where:
bonds (distance) C4'-P energy: -11.071
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -13.745
tors. eta vs tors. theta energy: -12.030
Dist. restrs. and SS energy: 0.054 (S_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: 456
Temperature: 1.100000
Total energy: -170.900846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.900846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.938922 (E_RNA)
where:
Base-Base interactions energy: -96.847
where: short stacking energy: -58.491
Base-Backbone interact. energy: -0.089
local terms energy: -74.003552
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -19.028
Dist. restrs. and SS energy: 0.038 (S_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: 456
Temperature: 1.150000
Total energy: -155.466731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.466731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.466731 (E_RNA)
where:
Base-Base interactions energy: -94.432
where: short stacking energy: -48.658
Base-Backbone interact. energy: -0.020
local terms energy: -61.015073
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -11.801
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -8.318
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -140.123447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.123447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.678722 (E_RNA)
where:
Base-Base interactions energy: -84.349
where: short stacking energy: -41.159
Base-Backbone interact. energy: -0.101
local terms energy: -56.228812
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -12.142
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -6.293
tors. eta vs tors. theta energy: -9.437
Dist. restrs. and SS energy: 0.555 (S_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: 456
Temperature: 1.250000
Total energy: -138.993085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.993085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.993085 (E_RNA)
where:
Base-Base interactions energy: -79.709
where: short stacking energy: -35.016
Base-Backbone interact. energy: -0.067
local terms energy: -59.217222
where:
bonds (distance) C4'-P energy: -12.520
bonds (distance) P-C4' energy: -14.960
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -6.764
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -133.135158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.135158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.135158 (E_RNA)
where:
Base-Base interactions energy: -77.487
where: short stacking energy: -42.524
Base-Backbone interact. energy: -0.220
local terms energy: -55.427993
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -10.588
flat angles P-C4'-P energy: -6.833
tors. eta vs tors. theta energy: -9.456
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: 10, replica: 9
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -127.319981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.319981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.321955 (E_RNA)
where:
Base-Base interactions energy: -70.335
where: short stacking energy: -41.181
Base-Backbone interact. energy: -0.512
local terms energy: -56.475368
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -5.998
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -182.201518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.201518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.257752 (E_RNA)
where:
Base-Base interactions energy: -107.466
where: short stacking energy: -52.987
Base-Backbone interact. energy: -0.070
local terms energy: -74.721221
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -14.059
Dist. restrs. and SS energy: 0.056 (S_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: 457
Temperature: 0.950000
Total energy: -185.094049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.094049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.123676 (E_RNA)
where:
Base-Base interactions energy: -114.217
where: short stacking energy: -69.952
Base-Backbone interact. energy: -0.002
local terms energy: -70.905403
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -14.840
Dist. restrs. and SS energy: 0.030 (S_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: 457
Temperature: 1.000000
Total energy: -193.700717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.700717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.752014 (E_RNA)
where:
Base-Base interactions energy: -112.710
where: short stacking energy: -65.933
Base-Backbone interact. energy: -0.790
local terms energy: -80.251846
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: -18.990
Dist. restrs. and SS energy: 0.051 (S_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: 457
Temperature: 1.050000
Total energy: -180.327518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.327518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.588603 (E_RNA)
where:
Base-Base interactions energy: -106.592
where: short stacking energy: -58.989
Base-Backbone interact. energy: -0.004
local terms energy: -73.992640
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -20.079
Dist. restrs. and SS energy: 0.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -162.529763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.529763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.885528 (E_RNA)
where:
Base-Base interactions energy: -95.327
where: short stacking energy: -48.469
Base-Backbone interact. energy: 0.306
local terms energy: -67.864091
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -11.277
Dist. restrs. and SS energy: 0.356 (S_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: 457
Temperature: 1.150000
Total energy: -162.968777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.968777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.968777 (E_RNA)
where:
Base-Base interactions energy: -93.779
where: short stacking energy: -44.530
Base-Backbone interact. energy: -0.134
local terms energy: -69.056129
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -10.959
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -150.507081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.507081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.507081 (E_RNA)
where:
Base-Base interactions energy: -88.209
where: short stacking energy: -53.125
Base-Backbone interact. energy: -0.131
local terms energy: -62.166984
where:
bonds (distance) C4'-P energy: -8.871
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -11.105
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -140.510492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.510492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.514742 (E_RNA)
where:
Base-Base interactions energy: -89.496
where: short stacking energy: -42.314
Base-Backbone interact. energy: -0.100
local terms energy: -50.918798
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -12.645
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: -5.417
Dist. restrs. and SS energy: 0.004 (S_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: 457
Temperature: 1.300000
Total energy: -136.110730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.110730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.147795 (E_RNA)
where:
Base-Base interactions energy: -79.189
where: short stacking energy: -48.328
Base-Backbone interact. energy: -0.235
local terms energy: -56.723874
where:
bonds (distance) C4'-P energy: -8.992
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -11.345
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -10.393
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -127.842666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.842666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.880331 (E_RNA)
where:
Base-Base interactions energy: -80.578
where: short stacking energy: -38.164
Base-Backbone interact. energy: -0.550
local terms energy: -46.752699
where:
bonds (distance) C4'-P energy: -9.166
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -8.435
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -7.913
Dist. restrs. and SS energy: 0.038 (S_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: 458
Temperature: 0.900000
Total energy: -186.676011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.676011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.866768 (E_RNA)
where:
Base-Base interactions energy: -116.786
where: short stacking energy: -68.964
Base-Backbone interact. energy: 0.114
local terms energy: -70.195287
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -17.947
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -13.762
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -170.757849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.757849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.757849 (E_RNA)
where:
Base-Base interactions energy: -98.176
where: short stacking energy: -56.150
Base-Backbone interact. energy: -0.204
local terms energy: -72.377756
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -15.628
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -181.249349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.249349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.249349 (E_RNA)
where:
Base-Base interactions energy: -112.530
where: short stacking energy: -64.290
Base-Backbone interact. energy: -0.019
local terms energy: -68.700508
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -6.787
tors. eta vs tors. theta energy: -15.699
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -173.363971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.363971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.430050 (E_RNA)
where:
Base-Base interactions energy: -102.524
where: short stacking energy: -63.565
Base-Backbone interact. energy: -0.031
local terms energy: -70.875204
where:
bonds (distance) C4'-P energy: -12.805
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -15.219
Dist. restrs. and SS energy: 0.066 (S_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: 458
Temperature: 1.100000
Total energy: -161.100724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.100724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.232957 (E_RNA)
where:
Base-Base interactions energy: -91.144
where: short stacking energy: -42.647
Base-Backbone interact. energy: -0.085
local terms energy: -70.003194
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -12.142
Dist. restrs. and SS energy: 0.132 (S_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: 458
Temperature: 1.150000
Total energy: -148.459006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.459006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.696979 (E_RNA)
where:
Base-Base interactions energy: -82.560
where: short stacking energy: -46.390
Base-Backbone interact. energy: -0.199
local terms energy: -65.937872
where:
bonds (distance) C4'-P energy: -16.175
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -10.317
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -15.739
Dist. restrs. and SS energy: 0.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -157.499540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.499540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.512198 (E_RNA)
where:
Base-Base interactions energy: -89.406
where: short stacking energy: -51.917
Base-Backbone interact. energy: -0.110
local terms energy: -67.995837
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -12.091
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -132.400276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.400276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.449841 (E_RNA)
where:
Base-Base interactions energy: -71.281
where: short stacking energy: -38.509
Base-Backbone interact. energy: -0.161
local terms energy: -61.008150
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: -5.284
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -135.795695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.795695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.795695 (E_RNA)
where:
Base-Base interactions energy: -75.770
where: short stacking energy: -32.465
Base-Backbone interact. energy: -0.325
local terms energy: -59.699976
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -17.100
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -6.202
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: 8
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -124.952167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.952167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.957467 (E_RNA)
where:
Base-Base interactions energy: -74.826
where: short stacking energy: -36.115
Base-Backbone interact. energy: -0.029
local terms energy: -50.102903
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -7.649
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -7.201
Dist. restrs. and SS energy: 0.005 (S_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: 459
Temperature: 0.900000
Total energy: -196.284887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.284887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.284887 (E_RNA)
where:
Base-Base interactions energy: -116.719
where: short stacking energy: -70.986
Base-Backbone interact. energy: -0.327
local terms energy: -79.238805
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -18.401
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -19.868
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: 5
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -197.235095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.235095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.393363 (E_RNA)
where:
Base-Base interactions energy: -125.237
where: short stacking energy: -71.069
Base-Backbone interact. energy: 2.856
local terms energy: -75.012542
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -18.390
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -176.549983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.549983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.626047 (E_RNA)
where:
Base-Base interactions energy: -101.993
where: short stacking energy: -67.747
Base-Backbone interact. energy: -0.009
local terms energy: -74.624087
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -17.213
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. 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: -152.006307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.006307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.466408 (E_RNA)
where:
Base-Base interactions energy: -87.664
where: short stacking energy: -41.320
Base-Backbone interact. energy: -0.192
local terms energy: -64.609877
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -8.798
Dist. restrs. and SS energy: 0.460 (S_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: 459
Temperature: 1.100000
Total energy: -154.292633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.292633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.292633 (E_RNA)
where:
Base-Base interactions energy: -95.081
where: short stacking energy: -46.717
Base-Backbone interact. energy: -0.456
local terms energy: -58.755298
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -8.931
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -152.119490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.119490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.446675 (E_RNA)
where:
Base-Base interactions energy: -88.158
where: short stacking energy: -40.213
Base-Backbone interact. energy: -0.695
local terms energy: -63.594333
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -8.006
flat angles P-C4'-P energy: -14.306
tors. eta vs tors. theta energy: -9.403
Dist. restrs. and SS energy: 0.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -135.424757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.424757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.569857 (E_RNA)
where:
Base-Base interactions energy: -75.025
where: short stacking energy: -40.692
Base-Backbone interact. energy: -0.351
local terms energy: -60.193956
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -7.529
Dist. restrs. and SS energy: 0.145 (S_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: 459
Temperature: 1.250000
Total energy: -140.592834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.592834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.787622 (E_RNA)
where:
Base-Base interactions energy: -78.734
where: short stacking energy: -48.751
Base-Backbone interact. energy: 0.172
local terms energy: -62.225400
where:
bonds (distance) C4'-P energy: -8.194
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -12.634
Dist. restrs. and SS energy: 0.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -133.627839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.627839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.627839 (E_RNA)
where:
Base-Base interactions energy: -75.156
where: short stacking energy: -44.914
Base-Backbone interact. energy: -0.304
local terms energy: -58.167851
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -7.062
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -133.297316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.297316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.833548 (E_RNA)
where:
Base-Base interactions energy: -77.114
where: short stacking energy: -48.264
Base-Backbone interact. energy: 0.024
local terms energy: -56.744032
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -13.119
flat angles C4'-P-C4' energy: -10.065
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -9.010
Dist. restrs. and SS energy: 0.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -212.666258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.666258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.706776 (E_RNA)
where:
Base-Base interactions energy: -128.801
where: short stacking energy: -76.944
Base-Backbone interact. energy: -0.656
local terms energy: -83.249878
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -17.974
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -21.400
Dist. restrs. and SS energy: 0.041 (S_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: 460
Temperature: 0.950000
Total energy: -192.648491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.648491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.009375 (E_RNA)
where:
Base-Base interactions energy: -112.434
where: short stacking energy: -70.180
Base-Backbone interact. energy: -0.145
local terms energy: -80.429563
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -18.302
Dist. restrs. and SS energy: 0.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -177.542131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.542131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.695272 (E_RNA)
where:
Base-Base interactions energy: -108.032
where: short stacking energy: -60.831
Base-Backbone interact. energy: 2.054
local terms energy: -71.716795
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -16.657
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. 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: -170.173873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.173873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.173873 (E_RNA)
where:
Base-Base interactions energy: -100.940
where: short stacking energy: -55.524
Base-Backbone interact. energy: -0.150
local terms energy: -69.084329
where:
bonds (distance) C4'-P energy: -17.347
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -3.973
tors. eta vs tors. theta energy: -16.228
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: 7
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -150.711424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.711424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.781572 (E_RNA)
where:
Base-Base interactions energy: -86.999
where: short stacking energy: -44.162
Base-Backbone interact. energy: -0.599
local terms energy: -63.183908
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -6.977
tors. eta vs tors. theta energy: -10.707
Dist. restrs. and SS energy: 0.070 (S_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: 460
Temperature: 1.150000
Total energy: -148.228841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.228841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.395661 (E_RNA)
where:
Base-Base interactions energy: -91.317
where: short stacking energy: -59.230
Base-Backbone interact. energy: -0.135
local terms energy: -56.943387
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -11.357
flat angles C4'-P-C4' energy: -9.929
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -12.552
Dist. restrs. and SS energy: 0.167 (S_DIST_RNA)
chem. 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: -157.259059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.259059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.259059 (E_RNA)
where:
Base-Base interactions energy: -96.643
where: short stacking energy: -50.772
Base-Backbone interact. energy: -0.411
local terms energy: -60.204999
where:
bonds (distance) C4'-P energy: -7.713
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -17.778
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -10.707
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: 8, replica: 10
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -140.615312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.615312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.855583 (E_RNA)
where:
Base-Base interactions energy: -89.599
where: short stacking energy: -41.505
Base-Backbone interact. energy: -0.077
local terms energy: -51.179758
where:
bonds (distance) C4'-P energy: -7.900
bonds (distance) P-C4' energy: -12.064
flat angles C4'-P-C4' energy: -16.734
flat angles P-C4'-P energy: -6.662
tors. eta vs tors. theta energy: -7.819
Dist. restrs. and SS energy: 0.240 (S_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: 460
Temperature: 1.300000
Total energy: -140.029153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.029153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.029153 (E_RNA)
where:
Base-Base interactions energy: -74.970
where: short stacking energy: -42.516
Base-Backbone interact. energy: -0.066
local terms energy: -64.992979
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -16.137
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: -12.509
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -141.474484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.474484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.619630 (E_RNA)
where:
Base-Base interactions energy: -74.912
where: short stacking energy: -38.030
Base-Backbone interact. energy: -0.081
local terms energy: -66.626489
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -13.622
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -9.879
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -203.047885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.047885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.588140 (E_RNA)
where:
Base-Base interactions energy: -122.707
where: short stacking energy: -72.284
Base-Backbone interact. energy: -0.003
local terms energy: -80.877963
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: -18.209
Dist. restrs. and SS energy: 0.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -190.106725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.106725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.106725 (E_RNA)
where:
Base-Base interactions energy: -117.227
where: short stacking energy: -71.632
Base-Backbone interact. energy: -0.006
local terms energy: -72.872890
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -17.109
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: 461
Temperature: 1.000000
Total energy: -181.636718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.636718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.710691 (E_RNA)
where:
Base-Base interactions energy: -104.278
where: short stacking energy: -64.549
Base-Backbone interact. energy: -0.220
local terms energy: -77.212208
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -17.330
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. 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: -176.937934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.937934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.980638 (E_RNA)
where:
Base-Base interactions energy: -106.058
where: short stacking energy: -65.583
Base-Backbone interact. energy: 0.283
local terms energy: -71.205313
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -20.146
Dist. restrs. and SS energy: 0.043 (S_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: 461
Temperature: 1.100000
Total energy: -150.718389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.718389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.718389 (E_RNA)
where:
Base-Base interactions energy: -87.904
where: short stacking energy: -50.299
Base-Backbone interact. energy: -0.698
local terms energy: -62.116816
where:
bonds (distance) C4'-P energy: -9.534
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -12.081
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: 9
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -151.964683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.964683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.352920 (E_RNA)
where:
Base-Base interactions energy: -97.493
where: short stacking energy: -46.682
Base-Backbone interact. energy: 0.555
local terms energy: -55.414637
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -2.614
tors. eta vs tors. theta energy: -10.605
Dist. restrs. and SS energy: 0.388 (S_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: 461
Temperature: 1.200000
Total energy: -153.386300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.386300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.386300 (E_RNA)
where:
Base-Base interactions energy: -87.962
where: short stacking energy: -47.985
Base-Backbone interact. energy: -0.208
local terms energy: -65.216759
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -8.774
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -15.972
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: 8, replica: 10
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -137.569120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.569120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.618102 (E_RNA)
where:
Base-Base interactions energy: -78.954
where: short stacking energy: -44.429
Base-Backbone interact. energy: -0.029
local terms energy: -58.634664
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -7.528
tors. eta vs tors. theta energy: -10.703
Dist. restrs. and SS energy: 0.049 (S_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: 461
Temperature: 1.300000
Total energy: -121.978856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.978856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.131237 (E_RNA)
where:
Base-Base interactions energy: -58.507
where: short stacking energy: -36.299
Base-Backbone interact. energy: -0.052
local terms energy: -63.572869
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -5.926
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -119.840975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.840975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.047021 (E_RNA)
where:
Base-Base interactions energy: -72.659
where: short stacking energy: -40.590
Base-Backbone interact. energy: 0.251
local terms energy: -47.638357
where:
bonds (distance) C4'-P energy: -7.366
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: 0.150
tors. eta vs tors. theta energy: -9.956
Dist. restrs. and SS energy: 0.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -187.364203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.364203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.734987 (E_RNA)
where:
Base-Base interactions energy: -109.749
where: short stacking energy: -67.575
Base-Backbone interact. energy: -0.008
local terms energy: -77.978145
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -20.836
Dist. restrs. and SS energy: 0.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -198.138152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.138152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.373589 (E_RNA)
where:
Base-Base interactions energy: -121.024
where: short stacking energy: -63.102
Base-Backbone interact. energy: -0.014
local terms energy: -77.335428
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -19.919
Dist. restrs. and SS energy: 0.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -184.272159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.272159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.272159 (E_RNA)
where:
Base-Base interactions energy: -111.121
where: short stacking energy: -64.108
Base-Backbone interact. energy: -0.294
local terms energy: -72.857764
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -17.108
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: 4, replica: 6
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -159.252558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.252558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.252558 (E_RNA)
where:
Base-Base interactions energy: -83.428
where: short stacking energy: -42.741
Base-Backbone interact. energy: -0.138
local terms energy: -75.686869
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -18.892
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -14.169
tors. eta vs tors. theta energy: -9.585
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: 9
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -153.437147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.437147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.018424 (E_RNA)
where:
Base-Base interactions energy: -85.397
where: short stacking energy: -36.691
Base-Backbone interact. energy: -0.300
local terms energy: -68.321806
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -7.528
tors. eta vs tors. theta energy: -10.872
Dist. restrs. and SS energy: 0.581 (S_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: 462
Temperature: 1.150000
Total energy: -160.985244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.985244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.323772 (E_RNA)
where:
Base-Base interactions energy: -96.281
where: short stacking energy: -55.750
Base-Backbone interact. energy: -0.060
local terms energy: -64.982136
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -10.807
Dist. restrs. and SS energy: 0.339 (S_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: 462
Temperature: 1.200000
Total energy: -157.102121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.102121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.392988 (E_RNA)
where:
Base-Base interactions energy: -91.470
where: short stacking energy: -48.271
Base-Backbone interact. energy: -0.100
local terms energy: -65.822512
where:
bonds (distance) C4'-P energy: -18.470
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -7.993
Dist. restrs. and SS energy: 0.291 (S_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: 462
Temperature: 1.250000
Total energy: -144.123793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.123793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.242474 (E_RNA)
where:
Base-Base interactions energy: -89.761
where: short stacking energy: -45.923
Base-Backbone interact. energy: 0.365
local terms energy: -54.846053
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -11.670
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -6.130
tors. eta vs tors. theta energy: -10.518
Dist. restrs. and SS energy: 0.119 (S_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: 462
Temperature: 1.300000
Total energy: -126.725763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.725763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.726833 (E_RNA)
where:
Base-Base interactions energy: -73.998
where: short stacking energy: -34.694
Base-Backbone interact. energy: 0.784
local terms energy: -53.512179
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -13.404
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -5.284
tors. eta vs tors. theta energy: -6.079
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -86.154782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.154782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.746736 (E_RNA)
where:
Base-Base interactions energy: -39.377
where: short stacking energy: -27.127
Base-Backbone interact. energy: -0.102
local terms energy: -47.267949
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -0.955
tors. eta vs tors. theta energy: -2.864
Dist. restrs. and SS energy: 0.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -191.778989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.778989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.236672 (E_RNA)
where:
Base-Base interactions energy: -112.520
where: short stacking energy: -68.148
Base-Backbone interact. energy: -0.037
local terms energy: -79.679440
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -20.790
Dist. restrs. and SS energy: 0.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -205.280396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.280396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.654977 (E_RNA)
where:
Base-Base interactions energy: -123.969
where: short stacking energy: -72.083
Base-Backbone interact. energy: 0.167
local terms energy: -81.852901
where:
bonds (distance) C4'-P energy: -16.953
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -20.810
Dist. restrs. and SS energy: 0.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -178.607154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.607154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.785769 (E_RNA)
where:
Base-Base interactions energy: -104.484
where: short stacking energy: -56.004
Base-Backbone interact. energy: -0.169
local terms energy: -74.132379
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -16.562
Dist. restrs. and SS energy: 0.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -158.552621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.552621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.783657 (E_RNA)
where:
Base-Base interactions energy: -102.035
where: short stacking energy: -56.550
Base-Backbone interact. energy: -0.120
local terms energy: -56.629184
where:
bonds (distance) C4'-P energy: -9.952
bonds (distance) P-C4' energy: -11.655
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -10.908
Dist. restrs. and SS energy: 0.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -161.442042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.442042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.048224 (E_RNA)
where:
Base-Base interactions energy: -101.405
where: short stacking energy: -54.056
Base-Backbone interact. energy: -0.653
local terms energy: -59.990218
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -17.873
flat angles C4'-P-C4' energy: -11.275
flat angles P-C4'-P energy: -6.084
tors. eta vs tors. theta energy: -8.840
Dist. restrs. and SS energy: 0.606 (S_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: 463
Temperature: 1.150000
Total energy: -162.920466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.920466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.014930 (E_RNA)
where:
Base-Base interactions energy: -92.007
where: short stacking energy: -50.889
Base-Backbone interact. energy: -0.138
local terms energy: -70.869492
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -14.379
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -148.575617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.575617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.575617 (E_RNA)
where:
Base-Base interactions energy: -90.216
where: short stacking energy: -50.482
Base-Backbone interact. energy: -0.053
local terms energy: -58.307277
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -13.385
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: -11.669
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -149.136034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.136034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.165961 (E_RNA)
where:
Base-Base interactions energy: -88.083
where: short stacking energy: -48.911
Base-Backbone interact. energy: -0.899
local terms energy: -60.184718
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -11.723
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -10.287
Dist. restrs. and SS energy: 0.030 (S_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: 463
Temperature: 1.300000
Total energy: -126.170672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.170672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.170672 (E_RNA)
where:
Base-Base interactions energy: -78.636
where: short stacking energy: -40.725
Base-Backbone interact. energy: -0.282
local terms energy: -47.252580
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -7.965
flat angles P-C4'-P energy: -5.326
tors. eta vs tors. theta energy: -4.515
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -90.125318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.125318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.078263 (E_RNA)
where:
Base-Base interactions energy: -46.904
where: short stacking energy: -22.072
Base-Backbone interact. energy: -0.424
local terms energy: -43.749591
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -4.124
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -2.477
Dist. restrs. and SS energy: 0.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -209.910291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.910291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.920113 (E_RNA)
where:
Base-Base interactions energy: -122.882
where: short stacking energy: -75.688
Base-Backbone interact. energy: -0.015
local terms energy: -87.023427
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -18.533
flat angles P-C4'-P energy: -13.887
tors. eta vs tors. theta energy: -21.806
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -192.915805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.915805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.928673 (E_RNA)
where:
Base-Base interactions energy: -117.936
where: short stacking energy: -71.420
Base-Backbone interact. energy: 1.407
local terms energy: -76.399945
where:
bonds (distance) C4'-P energy: -17.640
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -19.681
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -176.807977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.807977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.917987 (E_RNA)
where:
Base-Base interactions energy: -103.039
where: short stacking energy: -56.657
Base-Backbone interact. energy: -0.050
local terms energy: -73.828953
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -13.142
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -162.426172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.426172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.426172 (E_RNA)
where:
Base-Base interactions energy: -94.451
where: short stacking energy: -54.687
Base-Backbone interact. energy: -0.612
local terms energy: -67.363389
where:
bonds (distance) C4'-P energy: -12.793
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -11.507
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: 2
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -168.589060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.589060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.959382 (E_RNA)
where:
Base-Base interactions energy: -100.943
where: short stacking energy: -60.402
Base-Backbone interact. energy: -0.095
local terms energy: -67.921262
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -12.823
Dist. restrs. and SS energy: 0.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -163.306171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.306171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.922397 (E_RNA)
where:
Base-Base interactions energy: -97.468
where: short stacking energy: -54.309
Base-Backbone interact. energy: -0.006
local terms energy: -66.448566
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -13.052
Dist. restrs. and SS energy: 0.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -140.449330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.449330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.489475 (E_RNA)
where:
Base-Base interactions energy: -82.137
where: short stacking energy: -40.902
Base-Backbone interact. energy: -0.655
local terms energy: -57.696985
where:
bonds (distance) C4'-P energy: -9.165
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -9.251
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -9.220
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. 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: -140.176939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.176939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.248643 (E_RNA)
where:
Base-Base interactions energy: -76.596
where: short stacking energy: -43.838
Base-Backbone interact. energy: -0.133
local terms energy: -63.519728
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -11.421
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -112.277859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.277859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.277859 (E_RNA)
where:
Base-Base interactions energy: -64.606
where: short stacking energy: -40.433
Base-Backbone interact. energy: -0.515
local terms energy: -47.156822
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -10.309
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -0.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -114.304095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.304095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.337385 (E_RNA)
where:
Base-Base interactions energy: -59.372
where: short stacking energy: -25.271
Base-Backbone interact. energy: -0.207
local terms energy: -54.758614
where:
bonds (distance) C4'-P energy: -16.349
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -3.132
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -186.839642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.839642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.839642 (E_RNA)
where:
Base-Base interactions energy: -108.890
where: short stacking energy: -62.019
Base-Backbone interact. energy: -0.185
local terms energy: -77.764043
where:
bonds (distance) C4'-P energy: -15.662
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -13.629
tors. eta vs tors. theta energy: -18.371
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: 4
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -182.858242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.858242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.889612 (E_RNA)
where:
Base-Base interactions energy: -113.071
where: short stacking energy: -65.308
Base-Backbone interact. energy: -0.159
local terms energy: -69.659824
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -12.714
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: -14.480
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -181.298180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.298180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.316201 (E_RNA)
where:
Base-Base interactions energy: -108.268
where: short stacking energy: -59.104
Base-Backbone interact. energy: -0.585
local terms energy: -72.462875
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -19.149
flat angles P-C4'-P energy: -6.020
tors. eta vs tors. theta energy: -17.980
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -175.277884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.277884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.290574 (E_RNA)
where:
Base-Base interactions energy: -104.359
where: short stacking energy: -54.351
Base-Backbone interact. energy: -0.135
local terms energy: -70.797204
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -13.520
tors. eta vs tors. theta energy: -11.577
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -163.982544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.982544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.036564 (E_RNA)
where:
Base-Base interactions energy: -88.479
where: short stacking energy: -54.884
Base-Backbone interact. energy: -0.232
local terms energy: -75.324915
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -14.882
tors. eta vs tors. theta energy: -15.680
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -144.470010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.470010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.470010 (E_RNA)
where:
Base-Base interactions energy: -90.189
where: short stacking energy: -46.988
Base-Backbone interact. energy: -0.352
local terms energy: -53.928482
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -12.695
flat angles C4'-P-C4' energy: -10.307
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: -11.675
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -143.917438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.917438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.949903 (E_RNA)
where:
Base-Base interactions energy: -85.167
where: short stacking energy: -52.889
Base-Backbone interact. energy: 0.754
local terms energy: -59.537589
where:
bonds (distance) C4'-P energy: -7.394
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -11.252
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. 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: -133.327743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.327743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.327743 (E_RNA)
where:
Base-Base interactions energy: -81.106
where: short stacking energy: -40.028
Base-Backbone interact. energy: -0.113
local terms energy: -52.108708
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -8.674
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -129.213288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.213288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.255308 (E_RNA)
where:
Base-Base interactions energy: -67.339
where: short stacking energy: -36.093
Base-Backbone interact. energy: -0.077
local terms energy: -61.839170
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -11.263
Dist. restrs. and SS energy: 0.042 (S_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: 465
Temperature: 1.350000
Total energy: -134.798713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.798713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.798713 (E_RNA)
where:
Base-Base interactions energy: -77.895
where: short stacking energy: -45.848
Base-Backbone interact. energy: -0.128
local terms energy: -56.775101
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -7.400
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -198.264941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.264941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.452983 (E_RNA)
where:
Base-Base interactions energy: -121.173
where: short stacking energy: -66.677
Base-Backbone interact. energy: -0.254
local terms energy: -77.026554
where:
bonds (distance) C4'-P energy: -16.130
bonds (distance) P-C4' energy: -18.521
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -6.519
tors. eta vs tors. theta energy: -22.006
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -175.182249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.182249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.182249 (E_RNA)
where:
Base-Base interactions energy: -103.738
where: short stacking energy: -64.801
Base-Backbone interact. energy: -0.024
local terms energy: -71.420174
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -14.547
tors. eta vs tors. theta energy: -16.973
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -176.244061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.244061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.250432 (E_RNA)
where:
Base-Base interactions energy: -105.099
where: short stacking energy: -58.192
Base-Backbone interact. energy: -0.288
local terms energy: -70.862610
where:
bonds (distance) C4'-P energy: -10.359
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -15.052
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -174.096273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.096273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.108301 (E_RNA)
where:
Base-Base interactions energy: -104.964
where: short stacking energy: -59.693
Base-Backbone interact. energy: -0.220
local terms energy: -68.924944
where:
bonds (distance) C4'-P energy: -12.520
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -15.707
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -165.473757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.473757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.473757 (E_RNA)
where:
Base-Base interactions energy: -107.465
where: short stacking energy: -52.826
Base-Backbone interact. energy: -0.709
local terms energy: -57.299517
where:
bonds (distance) C4'-P energy: -10.185
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -9.889
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -152.424898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.424898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.424898 (E_RNA)
where:
Base-Base interactions energy: -88.693
where: short stacking energy: -52.218
Base-Backbone interact. energy: 0.852
local terms energy: -64.583873
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -10.220
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -11.346
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -159.965920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.965920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.048702 (E_RNA)
where:
Base-Base interactions energy: -87.599
where: short stacking energy: -50.990
Base-Backbone interact. energy: -0.357
local terms energy: -72.092318
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -13.898
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -135.677040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.677040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.879971 (E_RNA)
where:
Base-Base interactions energy: -74.199
where: short stacking energy: -39.533
Base-Backbone interact. energy: -0.203
local terms energy: -61.477980
where:
bonds (distance) C4'-P energy: -16.725
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -10.319
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -8.228
Dist. restrs. and SS energy: 0.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -140.664672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.664672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.790247 (E_RNA)
where:
Base-Base interactions energy: -80.400
where: short stacking energy: -46.280
Base-Backbone interact. energy: 1.163
local terms energy: -61.553400
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -13.386
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -10.467
Dist. restrs. and SS energy: 0.126 (S_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: 466
Temperature: 1.350000
Total energy: -121.697561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.697561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.697561 (E_RNA)
where:
Base-Base interactions energy: -63.253
where: short stacking energy: -31.261
Base-Backbone interact. energy: -0.136
local terms energy: -58.307717
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -3.323
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -190.915937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.915937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.040504 (E_RNA)
where:
Base-Base interactions energy: -107.860
where: short stacking energy: -61.647
Base-Backbone interact. energy: -0.133
local terms energy: -84.047537
where:
bonds (distance) C4'-P energy: -17.066
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: -20.705
Dist. restrs. and SS energy: 1.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -187.410914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.410914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.862217 (E_RNA)
where:
Base-Base interactions energy: -110.062
where: short stacking energy: -64.217
Base-Backbone interact. energy: -0.982
local terms energy: -76.818954
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -20.102
Dist. restrs. and SS energy: 0.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -173.666250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.666250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.884072 (E_RNA)
where:
Base-Base interactions energy: -100.727
where: short stacking energy: -52.991
Base-Backbone interact. energy: 0.834
local terms energy: -73.991192
where:
bonds (distance) C4'-P energy: -17.186
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -13.102
Dist. restrs. and SS energy: 0.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -176.660232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.660232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.660232 (E_RNA)
where:
Base-Base interactions energy: -112.237
where: short stacking energy: -64.430
Base-Backbone interact. energy: 1.718
local terms energy: -66.141143
where:
bonds (distance) C4'-P energy: -11.580
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -17.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -178.825052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.825052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.169888 (E_RNA)
where:
Base-Base interactions energy: -107.596
where: short stacking energy: -56.626
Base-Backbone interact. energy: -0.191
local terms energy: -71.382886
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -17.158
Dist. restrs. and SS energy: 0.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -161.672571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.672571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.672571 (E_RNA)
where:
Base-Base interactions energy: -101.460
where: short stacking energy: -52.934
Base-Backbone interact. energy: -0.191
local terms energy: -60.021752
where:
bonds (distance) C4'-P energy: -16.130
bonds (distance) P-C4' energy: -7.384
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -3.505
tors. eta vs tors. theta energy: -18.222
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -136.997232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.997232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.997232 (E_RNA)
where:
Base-Base interactions energy: -77.345
where: short stacking energy: -49.288
Base-Backbone interact. energy: 0.263
local terms energy: -59.915712
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -9.122
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: 1
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -126.958348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.958348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.958348 (E_RNA)
where:
Base-Base interactions energy: -72.066
where: short stacking energy: -38.002
Base-Backbone interact. energy: -0.230
local terms energy: -54.662450
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -4.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -138.979683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.979683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.979683 (E_RNA)
where:
Base-Base interactions energy: -85.833
where: short stacking energy: -42.993
Base-Backbone interact. energy: -0.003
local terms energy: -53.143390
where:
bonds (distance) C4'-P energy: -11.269
bonds (distance) P-C4' energy: -7.760
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -12.059
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -108.635491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.635491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.780726 (E_RNA)
where:
Base-Base interactions energy: -64.927
where: short stacking energy: -38.579
Base-Backbone interact. energy: -0.187
local terms energy: -43.666925
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -10.189
flat angles P-C4'-P energy: -3.035
tors. eta vs tors. theta energy: -3.450
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -203.913898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.913898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.189690 (E_RNA)
where:
Base-Base interactions energy: -122.734
where: short stacking energy: -68.323
Base-Backbone interact. energy: -0.744
local terms energy: -80.711624
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -18.962
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -188.622731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.622731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.952274 (E_RNA)
where:
Base-Base interactions energy: -119.227
where: short stacking energy: -64.441
Base-Backbone interact. energy: -0.102
local terms energy: -69.622642
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -18.845
Dist. restrs. and SS energy: 0.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -192.350011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.350011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.377138 (E_RNA)
where:
Base-Base interactions energy: -114.188
where: short stacking energy: -66.111
Base-Backbone interact. energy: -0.589
local terms energy: -77.599669
where:
bonds (distance) C4'-P energy: -16.382
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -18.827
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -167.638684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.638684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.647994 (E_RNA)
where:
Base-Base interactions energy: -94.532
where: short stacking energy: -58.360
Base-Backbone interact. energy: 0.543
local terms energy: -73.659595
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -18.690
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -152.291771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.291771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.338395 (E_RNA)
where:
Base-Base interactions energy: -88.088
where: short stacking energy: -52.084
Base-Backbone interact. energy: -0.125
local terms energy: -64.124448
where:
bonds (distance) C4'-P energy: -9.453
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -9.917
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -163.899359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.899359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.406160 (E_RNA)
where:
Base-Base interactions energy: -99.878
where: short stacking energy: -50.755
Base-Backbone interact. energy: -0.678
local terms energy: -63.850103
where:
bonds (distance) C4'-P energy: -17.177
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -10.448
flat angles P-C4'-P energy: -5.210
tors. eta vs tors. theta energy: -17.264
Dist. restrs. and SS energy: 0.507 (S_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: 468
Temperature: 1.200000
Total energy: -153.354937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.354937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.574739 (E_RNA)
where:
Base-Base interactions energy: -85.331
where: short stacking energy: -48.552
Base-Backbone interact. energy: -0.178
local terms energy: -68.065737
where:
bonds (distance) C4'-P energy: -10.056
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -13.619
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -140.891166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.891166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.923335 (E_RNA)
where:
Base-Base interactions energy: -84.948
where: short stacking energy: -48.505
Base-Backbone interact. energy: -0.528
local terms energy: -55.448166
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -13.019
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: -12.512
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -137.104725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.104725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.216124 (E_RNA)
where:
Base-Base interactions energy: -76.401
where: short stacking energy: -47.038
Base-Backbone interact. energy: 0.409
local terms energy: -61.223364
where:
bonds (distance) C4'-P energy: -16.705
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -11.628
flat angles P-C4'-P energy: -4.899
tors. eta vs tors. theta energy: -11.707
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -108.326206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.326206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.342749 (E_RNA)
where:
Base-Base interactions energy: -61.819
where: short stacking energy: -35.218
Base-Backbone interact. energy: -0.355
local terms energy: -46.169582
where:
bonds (distance) C4'-P energy: -7.931
bonds (distance) P-C4' energy: -10.489
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -6.455
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -203.254365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.254365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.254365 (E_RNA)
where:
Base-Base interactions energy: -123.233
where: short stacking energy: -74.281
Base-Backbone interact. energy: -0.015
local terms energy: -80.006034
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -12.460
flat angles C4'-P-C4' energy: -18.278
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -23.669
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -187.258361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.258361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.555911 (E_RNA)
where:
Base-Base interactions energy: -115.567
where: short stacking energy: -64.961
Base-Backbone interact. energy: -0.203
local terms energy: -71.785900
where:
bonds (distance) C4'-P energy: -16.631
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -13.732
tors. eta vs tors. theta energy: -14.645
Dist. restrs. and SS energy: 0.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -184.910920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.910920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.253771 (E_RNA)
where:
Base-Base interactions energy: -110.322
where: short stacking energy: -63.110
Base-Backbone interact. energy: -0.064
local terms energy: -74.867778
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -20.186
Dist. restrs. and SS energy: 0.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -175.524936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.524936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.768989 (E_RNA)
where:
Base-Base interactions energy: -107.373
where: short stacking energy: -56.750
Base-Backbone interact. energy: -0.014
local terms energy: -68.381863
where:
bonds (distance) C4'-P energy: -16.925
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -16.920
Dist. restrs. and SS energy: 0.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -171.640520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.640520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.697006 (E_RNA)
where:
Base-Base interactions energy: -108.109
where: short stacking energy: -55.479
Base-Backbone interact. energy: -1.129
local terms energy: -62.459627
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -10.197
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -148.791471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.791471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.842748 (E_RNA)
where:
Base-Base interactions energy: -85.098
where: short stacking energy: -40.663
Base-Backbone interact. energy: -0.060
local terms energy: -63.685350
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -8.044
Dist. restrs. and SS energy: 0.051 (S_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: 469
Temperature: 1.200000
Total energy: -156.102103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.102103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.102103 (E_RNA)
where:
Base-Base interactions energy: -92.687
where: short stacking energy: -47.507
Base-Backbone interact. energy: 0.236
local terms energy: -63.651319
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -9.373
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: 1
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -131.931822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.931822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.931822 (E_RNA)
where:
Base-Base interactions energy: -69.535
where: short stacking energy: -33.945
Base-Backbone interact. energy: -0.010
local terms energy: -62.386214
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -6.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -122.426148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.426148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.426148 (E_RNA)
where:
Base-Base interactions energy: -63.803
where: short stacking energy: -34.330
Base-Backbone interact. energy: -0.066
local terms energy: -58.556854
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -3.840
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: 10
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -106.656211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.656211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.660779 (E_RNA)
where:
Base-Base interactions energy: -55.243
where: short stacking energy: -30.363
Base-Backbone interact. energy: -0.195
local terms energy: -51.222191
where:
bonds (distance) C4'-P energy: -9.291
bonds (distance) P-C4' energy: -12.914
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -6.584
tors. eta vs tors. theta energy: -7.637
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -202.172163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.172163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.172163 (E_RNA)
where:
Base-Base interactions energy: -118.550
where: short stacking energy: -77.290
Base-Backbone interact. energy: -0.069
local terms energy: -83.553319
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -17.469
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -21.111
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -197.029126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.029126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.077906 (E_RNA)
where:
Base-Base interactions energy: -117.983
where: short stacking energy: -62.798
Base-Backbone interact. energy: -0.085
local terms energy: -79.010031
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -17.807
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -191.251111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.251111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.297328 (E_RNA)
where:
Base-Base interactions energy: -114.709
where: short stacking energy: -70.989
Base-Backbone interact. energy: -0.870
local terms energy: -75.718157
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -18.234
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -179.104741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.104741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.107589 (E_RNA)
where:
Base-Base interactions energy: -103.895
where: short stacking energy: -57.258
Base-Backbone interact. energy: -0.282
local terms energy: -74.930528
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -16.275
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -179.773133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.773133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.301599 (E_RNA)
where:
Base-Base interactions energy: -103.236
where: short stacking energy: -60.698
Base-Backbone interact. energy: -0.004
local terms energy: -77.061985
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -17.983
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -19.969
Dist. restrs. and SS energy: 0.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -154.683141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.683141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.686272 (E_RNA)
where:
Base-Base interactions energy: -88.270
where: short stacking energy: -48.795
Base-Backbone interact. energy: 0.927
local terms energy: -67.343307
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -12.420
Dist. restrs. and SS energy: 0.003 (S_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: 470
Temperature: 1.200000
Total energy: -142.061613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.061613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.232044 (E_RNA)
where:
Base-Base interactions energy: -83.259
where: short stacking energy: -39.955
Base-Backbone interact. energy: 0.614
local terms energy: -59.587296
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -10.854
flat angles P-C4'-P energy: -5.086
tors. eta vs tors. theta energy: -11.873
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -140.482808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.482808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.505424 (E_RNA)
where:
Base-Base interactions energy: -82.737
where: short stacking energy: -39.578
Base-Backbone interact. energy: -0.435
local terms energy: -57.333745
where:
bonds (distance) C4'-P energy: -15.119
bonds (distance) P-C4' energy: -12.939
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -8.755
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -150.589222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.589222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.966659 (E_RNA)
where:
Base-Base interactions energy: -85.669
where: short stacking energy: -49.509
Base-Backbone interact. energy: -0.145
local terms energy: -65.152695
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -3.843
tors. eta vs tors. theta energy: -11.701
Dist. restrs. and SS energy: 0.377 (S_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: 470
Temperature: 1.350000
Total energy: -122.405282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.405282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.465698 (E_RNA)
where:
Base-Base interactions energy: -72.256
where: short stacking energy: -37.559
Base-Backbone interact. energy: -0.107
local terms energy: -50.102651
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -4.666
tors. eta vs tors. theta energy: -9.708
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -190.005493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.005493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.197941 (E_RNA)
where:
Base-Base interactions energy: -114.567
where: short stacking energy: -62.141
Base-Backbone interact. energy: -0.006
local terms energy: -75.624777
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -19.021
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -193.920646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.920646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.921985 (E_RNA)
where:
Base-Base interactions energy: -117.895
where: short stacking energy: -66.259
Base-Backbone interact. energy: -0.005
local terms energy: -76.022783
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -19.126
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -19.061
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -172.621613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.621613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.812363 (E_RNA)
where:
Base-Base interactions energy: -105.615
where: short stacking energy: -51.392
Base-Backbone interact. energy: -0.860
local terms energy: -66.336643
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -12.394
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -182.159709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.159709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.159709 (E_RNA)
where:
Base-Base interactions energy: -104.917
where: short stacking energy: -72.531
Base-Backbone interact. energy: -0.051
local terms energy: -77.191240
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -17.336
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -22.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -167.576105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.576105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.754623 (E_RNA)
where:
Base-Base interactions energy: -93.289
where: short stacking energy: -50.910
Base-Backbone interact. energy: -0.103
local terms energy: -74.362109
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -18.131
Dist. restrs. and SS energy: 0.179 (S_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: 471
Temperature: 1.150000
Total energy: -138.791561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.791561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.898704 (E_RNA)
where:
Base-Base interactions energy: -77.862
where: short stacking energy: -45.873
Base-Backbone interact. energy: -0.176
local terms energy: -60.861253
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -12.190
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -7.132
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -139.572053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.572053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.572053 (E_RNA)
where:
Base-Base interactions energy: -78.338
where: short stacking energy: -44.014
Base-Backbone interact. energy: -0.512
local terms energy: -60.721660
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -15.428
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -8.946
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -141.353259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.353259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.665839 (E_RNA)
where:
Base-Base interactions energy: -81.979
where: short stacking energy: -48.923
Base-Backbone interact. energy: -0.059
local terms energy: -59.627683
where:
bonds (distance) C4'-P energy: -9.539
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -10.902
Dist. restrs. and SS energy: 0.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -131.907490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.907490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.907490 (E_RNA)
where:
Base-Base interactions energy: -79.330
where: short stacking energy: -40.714
Base-Backbone interact. energy: -0.038
local terms energy: -52.539068
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -6.090
tors. eta vs tors. theta energy: -7.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -129.678111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.678111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.900101 (E_RNA)
where:
Base-Base interactions energy: -79.329
where: short stacking energy: -39.736
Base-Backbone interact. energy: -0.094
local terms energy: -50.476958
where:
bonds (distance) C4'-P energy: -14.490
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -8.803
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -4.898
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -198.996342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.996342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.022518 (E_RNA)
where:
Base-Base interactions energy: -121.569
where: short stacking energy: -63.390
Base-Backbone interact. energy: -0.540
local terms energy: -76.913251
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -18.272
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -186.448744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.448744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.568560 (E_RNA)
where:
Base-Base interactions energy: -114.045
where: short stacking energy: -64.864
Base-Backbone interact. energy: -0.128
local terms energy: -72.394695
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -11.171
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -16.946
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -178.125065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.125065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.153683 (E_RNA)
where:
Base-Base interactions energy: -106.448
where: short stacking energy: -59.272
Base-Backbone interact. energy: -0.219
local terms energy: -71.486687
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -18.498
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -163.442382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.442382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.656411 (E_RNA)
where:
Base-Base interactions energy: -92.556
where: short stacking energy: -49.846
Base-Backbone interact. energy: -0.305
local terms energy: -70.795411
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -12.392
Dist. restrs. and SS energy: 0.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -183.044151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.044151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.617952 (E_RNA)
where:
Base-Base interactions energy: -108.394
where: short stacking energy: -61.583
Base-Backbone interact. energy: -0.013
local terms energy: -75.211675
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -17.043
Dist. restrs. and SS energy: 0.574 (S_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: 472
Temperature: 1.150000
Total energy: -144.927089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.927089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.395671 (E_RNA)
where:
Base-Base interactions energy: -88.546
where: short stacking energy: -55.158
Base-Backbone interact. energy: -0.119
local terms energy: -56.730854
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -6.638
tors. eta vs tors. theta energy: -9.200
Dist. restrs. and SS energy: 0.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -147.058937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.058937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.058937 (E_RNA)
where:
Base-Base interactions energy: -86.030
where: short stacking energy: -44.780
Base-Backbone interact. energy: -0.255
local terms energy: -60.774036
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -8.986
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -9.636
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: 472
Temperature: 1.250000
Total energy: -111.008232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.008232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.037246 (E_RNA)
where:
Base-Base interactions energy: -58.399
where: short stacking energy: -36.638
Base-Backbone interact. energy: -0.319
local terms energy: -52.319723
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -11.875
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -0.205
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -138.849721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.849721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.218583 (E_RNA)
where:
Base-Base interactions energy: -82.207
where: short stacking energy: -42.398
Base-Backbone interact. energy: 1.881
local terms energy: -58.892031
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -8.198
Dist. restrs. and SS energy: 0.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -124.498585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.498585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.708087 (E_RNA)
where:
Base-Base interactions energy: -79.733
where: short stacking energy: -33.978
Base-Backbone interact. energy: -0.673
local terms energy: -44.302719
where:
bonds (distance) C4'-P energy: -9.873
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -0.805
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -198.665038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.665038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.665038 (E_RNA)
where:
Base-Base interactions energy: -116.149
where: short stacking energy: -68.040
Base-Backbone interact. energy: -0.267
local terms energy: -82.248539
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -21.330
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: 2
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -173.043736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.043736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.043736 (E_RNA)
where:
Base-Base interactions energy: -95.827
where: short stacking energy: -57.154
Base-Backbone interact. energy: -0.545
local terms energy: -76.671775
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -17.702
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -19.747
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: 5
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -176.420619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.420619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.601952 (E_RNA)
where:
Base-Base interactions energy: -101.908
where: short stacking energy: -55.902
Base-Backbone interact. energy: -0.206
local terms energy: -74.487860
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -10.532
flat angles P-C4'-P energy: -13.958
tors. eta vs tors. theta energy: -17.306
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -171.418440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.418440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.521157 (E_RNA)
where:
Base-Base interactions energy: -105.028
where: short stacking energy: -57.358
Base-Backbone interact. energy: 0.146
local terms energy: -66.638850
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -12.461
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -160.010518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.010518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.328953 (E_RNA)
where:
Base-Base interactions energy: -90.166
where: short stacking energy: -44.737
Base-Backbone interact. energy: -0.120
local terms energy: -70.043092
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -13.395
Dist. restrs. and SS energy: 0.318 (S_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: 473
Temperature: 1.150000
Total energy: -150.674722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.674722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.708139 (E_RNA)
where:
Base-Base interactions energy: -82.923
where: short stacking energy: -44.255
Base-Backbone interact. energy: -0.078
local terms energy: -67.706523
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -12.166
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -133.994901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.994901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.038288 (E_RNA)
where:
Base-Base interactions energy: -77.837
where: short stacking energy: -36.425
Base-Backbone interact. energy: -0.026
local terms energy: -56.175415
where:
bonds (distance) C4'-P energy: -10.939
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -4.956
Dist. restrs. and SS energy: 0.043 (S_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: 473
Temperature: 1.250000
Total energy: -131.941132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.941132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.110821 (E_RNA)
where:
Base-Base interactions energy: -71.774
where: short stacking energy: -34.272
Base-Backbone interact. energy: -0.419
local terms energy: -59.917839
where:
bonds (distance) C4'-P energy: -15.661
bonds (distance) P-C4' energy: -11.024
flat angles C4'-P-C4' energy: -17.635
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -4.082
Dist. restrs. and SS energy: 0.170 (S_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: -128.328825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.328825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.328825 (E_RNA)
where:
Base-Base interactions energy: -66.858
where: short stacking energy: -40.601
Base-Backbone interact. energy: -0.148
local terms energy: -61.323650
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -5.345
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: 1
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -111.244958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.244958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.539451 (E_RNA)
where:
Base-Base interactions energy: -67.178
where: short stacking energy: -33.792
Base-Backbone interact. energy: 1.341
local terms energy: -45.702924
where:
bonds (distance) C4'-P energy: -6.624
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -4.717
tors. eta vs tors. theta energy: -8.146
Dist. restrs. and SS energy: 0.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -196.107939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.107939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.328583 (E_RNA)
where:
Base-Base interactions energy: -120.544
where: short stacking energy: -73.601
Base-Backbone interact. energy: -0.104
local terms energy: -75.680165
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -19.245
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -156.761605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.761605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.856578 (E_RNA)
where:
Base-Base interactions energy: -90.532
where: short stacking energy: -53.254
Base-Backbone interact. energy: -0.088
local terms energy: -66.236713
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -18.174
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -7.507
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -174.341089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.341089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.393780 (E_RNA)
where:
Base-Base interactions energy: -103.996
where: short stacking energy: -57.930
Base-Backbone interact. energy: -0.051
local terms energy: -70.347324
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -15.442
Dist. restrs. and SS energy: 0.053 (S_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: 474
Temperature: 1.050000
Total energy: -164.025554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.025554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.042135 (E_RNA)
where:
Base-Base interactions energy: -99.374
where: short stacking energy: -48.569
Base-Backbone interact. energy: -0.121
local terms energy: -64.546518
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -11.725
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -170.219416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.219416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.794021 (E_RNA)
where:
Base-Base interactions energy: -105.677
where: short stacking energy: -56.923
Base-Backbone interact. energy: -0.119
local terms energy: -64.997715
where:
bonds (distance) C4'-P energy: -14.552
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -13.206
Dist. restrs. and SS energy: 0.575 (S_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: 474
Temperature: 1.150000
Total energy: -163.571703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.571703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.571703 (E_RNA)
where:
Base-Base interactions energy: -95.783
where: short stacking energy: -53.549
Base-Backbone interact. energy: -0.621
local terms energy: -67.167999
where:
bonds (distance) C4'-P energy: -9.290
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -14.702
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -130.816740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.816740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.816740 (E_RNA)
where:
Base-Base interactions energy: -75.767
where: short stacking energy: -46.838
Base-Backbone interact. energy: -0.027
local terms energy: -55.022822
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -10.866
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: -9.353
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: 10
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -151.785480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.785480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.789374 (E_RNA)
where:
Base-Base interactions energy: -92.607
where: short stacking energy: -44.953
Base-Backbone interact. energy: -0.109
local terms energy: -59.073646
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -6.462
tors. eta vs tors. theta energy: -8.328
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -119.763557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.763557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.777361 (E_RNA)
where:
Base-Base interactions energy: -71.226
where: short stacking energy: -28.735
Base-Backbone interact. energy: 0.516
local terms energy: -49.068188
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -6.683
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -4.821
Dist. restrs. and SS energy: 0.014 (S_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: 474
Temperature: 1.350000
Total energy: -125.542105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.542105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.542105 (E_RNA)
where:
Base-Base interactions energy: -62.071
where: short stacking energy: -37.048
Base-Backbone interact. energy: -0.574
local terms energy: -62.897384
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -18.001
flat angles C4'-P-C4' energy: -17.586
flat angles P-C4'-P energy: -6.474
tors. eta vs tors. theta energy: -5.758
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -195.578763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.578763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.658504 (E_RNA)
where:
Base-Base interactions energy: -113.716
where: short stacking energy: -62.867
Base-Backbone interact. energy: -0.004
local terms energy: -81.939189
where:
bonds (distance) C4'-P energy: -18.245
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -14.368
tors. eta vs tors. theta energy: -18.294
Dist. restrs. and SS energy: 0.080 (S_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: 475
Temperature: 0.950000
Total energy: -190.519559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.519559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.613503 (E_RNA)
where:
Base-Base interactions energy: -113.588
where: short stacking energy: -69.035
Base-Backbone interact. energy: -0.025
local terms energy: -77.000365
where:
bonds (distance) C4'-P energy: -16.982
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -17.828
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -155.811176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.811176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.819796 (E_RNA)
where:
Base-Base interactions energy: -88.739
where: short stacking energy: -59.036
Base-Backbone interact. energy: 1.177
local terms energy: -68.257347
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -9.407
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -169.454310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.454310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.454310 (E_RNA)
where:
Base-Base interactions energy: -97.807
where: short stacking energy: -41.256
Base-Backbone interact. energy: -0.306
local terms energy: -71.341010
where:
bonds (distance) C4'-P energy: -18.084
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -9.979
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -152.282525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.282525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.321012 (E_RNA)
where:
Base-Base interactions energy: -83.355
where: short stacking energy: -50.044
Base-Backbone interact. energy: 0.095
local terms energy: -69.061251
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -10.624
Dist. restrs. and SS energy: 0.038 (S_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: 475
Temperature: 1.150000
Total energy: -161.016760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.016760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.204388 (E_RNA)
where:
Base-Base interactions energy: -101.312
where: short stacking energy: -54.036
Base-Backbone interact. energy: 2.648
local terms energy: -62.539513
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -5.814
tors. eta vs tors. theta energy: -14.366
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -155.411125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.411125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.453697 (E_RNA)
where:
Base-Base interactions energy: -89.669
where: short stacking energy: -52.139
Base-Backbone interact. energy: -0.002
local terms energy: -65.783040
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -15.764
Dist. restrs. and SS energy: 0.043 (S_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: 475
Temperature: 1.250000
Total energy: -145.874606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.874606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.128706 (E_RNA)
where:
Base-Base interactions energy: -89.091
where: short stacking energy: -43.488
Base-Backbone interact. energy: -0.703
local terms energy: -56.335043
where:
bonds (distance) C4'-P energy: -8.425
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -8.049
tors. eta vs tors. theta energy: -10.910
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -114.824986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.824986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.846071 (E_RNA)
where:
Base-Base interactions energy: -63.390
where: short stacking energy: -30.740
Base-Backbone interact. energy: -0.340
local terms energy: -51.116238
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -9.984
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -2.583
Dist. restrs. and SS energy: 0.021 (S_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: 475
Temperature: 1.350000
Total energy: -120.081097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.081097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.159050 (E_RNA)
where:
Base-Base interactions energy: -71.667
where: short stacking energy: -42.764
Base-Backbone interact. energy: 0.384
local terms energy: -48.876582
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -6.039
tors. eta vs tors. theta energy: -4.342
Dist. restrs. and SS energy: 0.078 (S_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: 476
Temperature: 0.900000
Total energy: -195.297306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.297306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.539615 (E_RNA)
where:
Base-Base interactions energy: -120.258
where: short stacking energy: -64.968
Base-Backbone interact. energy: -0.053
local terms energy: -75.228772
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -13.178
tors. eta vs tors. theta energy: -17.894
Dist. restrs. and SS energy: 0.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -191.159083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.159083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.159083 (E_RNA)
where:
Base-Base interactions energy: -118.047
where: short stacking energy: -66.606
Base-Backbone interact. energy: -0.022
local terms energy: -73.089538
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -19.176
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -176.654578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.654578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.654578 (E_RNA)
where:
Base-Base interactions energy: -108.859
where: short stacking energy: -66.858
Base-Backbone interact. energy: -0.016
local terms energy: -67.779863
where:
bonds (distance) C4'-P energy: -15.777
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: -16.613
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -164.030039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.030039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.030039 (E_RNA)
where:
Base-Base interactions energy: -89.230
where: short stacking energy: -50.492
Base-Backbone interact. energy: -0.988
local terms energy: -73.812201
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -15.681
tors. eta vs tors. theta energy: -9.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -179.780630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.780630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.903329 (E_RNA)
where:
Base-Base interactions energy: -110.955
where: short stacking energy: -62.855
Base-Backbone interact. energy: -0.013
local terms energy: -68.935392
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -17.706
Dist. restrs. and SS energy: 0.123 (S_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: 476
Temperature: 1.150000
Total energy: -175.122118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.122118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.122118 (E_RNA)
where:
Base-Base interactions energy: -105.536
where: short stacking energy: -48.604
Base-Backbone interact. energy: 0.284
local terms energy: -69.870356
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -9.599
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: 7, replica: 10
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -133.291061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.291061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.412253 (E_RNA)
where:
Base-Base interactions energy: -82.030
where: short stacking energy: -40.478
Base-Backbone interact. energy: -0.420
local terms energy: -50.962640
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -12.575
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -4.703
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -131.536080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.536080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.953945 (E_RNA)
where:
Base-Base interactions energy: -66.675
where: short stacking energy: -37.934
Base-Backbone interact. energy: -0.079
local terms energy: -65.200100
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -13.006
tors. eta vs tors. theta energy: -8.593
Dist. restrs. and SS energy: 0.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -123.575627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.575627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.666613 (E_RNA)
where:
Base-Base interactions energy: -75.734
where: short stacking energy: -36.495
Base-Backbone interact. energy: 1.025
local terms energy: -48.957663
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -10.274
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -3.045
tors. eta vs tors. theta energy: -6.184
Dist. restrs. and SS energy: 0.091 (S_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: 476
Temperature: 1.350000
Total energy: -88.111691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.111691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.027134 (E_RNA)
where:
Base-Base interactions energy: -51.628
where: short stacking energy: -26.641
Base-Backbone interact. energy: -0.276
local terms energy: -42.123243
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -6.811
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: 0.158
Dist. restrs. and SS energy: 5.915 (S_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: 477
Temperature: 0.900000
Total energy: -199.659785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.659785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.881108 (E_RNA)
where:
Base-Base interactions energy: -126.618
where: short stacking energy: -68.356
Base-Backbone interact. energy: 0.849
local terms energy: -74.112557
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -17.362
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -174.928475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.928475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.132630 (E_RNA)
where:
Base-Base interactions energy: -101.611
where: short stacking energy: -57.902
Base-Backbone interact. energy: -0.292
local terms energy: -73.229743
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -13.451
tors. eta vs tors. theta energy: -12.543
Dist. restrs. and SS energy: 0.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -202.910836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.910836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.229877 (E_RNA)
where:
Base-Base interactions energy: -123.033
where: short stacking energy: -74.534
Base-Backbone interact. energy: -0.039
local terms energy: -80.157864
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -22.677
Dist. restrs. and SS energy: 0.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -169.715363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.715363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.869795 (E_RNA)
where:
Base-Base interactions energy: -97.684
where: short stacking energy: -56.313
Base-Backbone interact. energy: -0.126
local terms energy: -72.059622
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -16.258
Dist. restrs. and SS energy: 0.154 (S_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: 477
Temperature: 1.100000
Total energy: -147.078292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.078292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.078292 (E_RNA)
where:
Base-Base interactions energy: -90.509
where: short stacking energy: -44.897
Base-Backbone interact. energy: 1.060
local terms energy: -57.629045
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -9.418
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -6.433
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: 6, replica: 10
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -154.114995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.114995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.266982 (E_RNA)
where:
Base-Base interactions energy: -81.290
where: short stacking energy: -45.938
Base-Backbone interact. energy: -0.139
local terms energy: -72.837908
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -17.917
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -14.352
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -135.925457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.925457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.985772 (E_RNA)
where:
Base-Base interactions energy: -78.289
where: short stacking energy: -44.971
Base-Backbone interact. energy: -0.688
local terms energy: -57.008423
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -9.542
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -7.051
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -127.410248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.410248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.410248 (E_RNA)
where:
Base-Base interactions energy: -74.743
where: short stacking energy: -39.249
Base-Backbone interact. energy: -0.291
local terms energy: -52.376630
where:
bonds (distance) C4'-P energy: -11.356
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -8.485
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -3.274
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -139.267201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.267201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.655292 (E_RNA)
where:
Base-Base interactions energy: -80.970
where: short stacking energy: -42.699
Base-Backbone interact. energy: -0.042
local terms energy: -58.643125
where:
bonds (distance) C4'-P energy: -10.714
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -3.367
tors. eta vs tors. theta energy: -12.788
Dist. restrs. and SS energy: 0.388 (S_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: 477
Temperature: 1.350000
Total energy: -144.796043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.796043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.136757 (E_RNA)
where:
Base-Base interactions energy: -88.384
where: short stacking energy: -47.673
Base-Backbone interact. energy: -0.055
local terms energy: -56.697615
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -10.301
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -8.330
Dist. restrs. and SS energy: 0.341 (S_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: 478
Temperature: 0.900000
Total energy: -201.441233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.441233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.623292 (E_RNA)
where:
Base-Base interactions energy: -129.032
where: short stacking energy: -69.259
Base-Backbone interact. energy: -0.004
local terms energy: -72.587282
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: -18.660
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -194.291011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.291011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.473203 (E_RNA)
where:
Base-Base interactions energy: -120.915
where: short stacking energy: -68.443
Base-Backbone interact. energy: -0.036
local terms energy: -73.521625
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: -18.252
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -195.219785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.219785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.538826 (E_RNA)
where:
Base-Base interactions energy: -115.163
where: short stacking energy: -65.543
Base-Backbone interact. energy: -0.030
local terms energy: -80.346034
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -22.258
Dist. restrs. and SS energy: 0.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -173.135829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.135829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.143765 (E_RNA)
where:
Base-Base interactions energy: -100.440
where: short stacking energy: -55.631
Base-Backbone interact. energy: -1.603
local terms energy: -71.101357
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -12.135
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -163.329139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.329139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.366303 (E_RNA)
where:
Base-Base interactions energy: -99.974
where: short stacking energy: -54.427
Base-Backbone interact. energy: -0.081
local terms energy: -63.311746
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -10.651
Dist. restrs. and SS energy: 0.037 (S_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: 478
Temperature: 1.150000
Total energy: -144.341010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.341010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.341010 (E_RNA)
where:
Base-Base interactions energy: -79.695
where: short stacking energy: -43.099
Base-Backbone interact. energy: -0.888
local terms energy: -63.757659
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -9.791
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: 7, replica: 1
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -136.323755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.323755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.323755 (E_RNA)
where:
Base-Base interactions energy: -74.580
where: short stacking energy: -40.876
Base-Backbone interact. energy: -0.082
local terms energy: -61.661922
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -12.160
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: 5
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -144.370031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.370031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.490461 (E_RNA)
where:
Base-Base interactions energy: -80.617
where: short stacking energy: -48.649
Base-Backbone interact. energy: -0.074
local terms energy: -63.799397
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -10.726
Dist. restrs. and SS energy: 0.120 (S_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: 478
Temperature: 1.300000
Total energy: -119.141911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.141911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.141911 (E_RNA)
where:
Base-Base interactions energy: -61.395
where: short stacking energy: -31.252
Base-Backbone interact. energy: -0.147
local terms energy: -57.599764
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -9.057
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -6.140
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: 6
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -135.521276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.521276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.238688 (E_RNA)
where:
Base-Base interactions energy: -81.373
where: short stacking energy: -43.825
Base-Backbone interact. energy: -0.046
local terms energy: -54.820353
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -11.932
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -4.680
tors. eta vs tors. theta energy: -12.618
Dist. restrs. and SS energy: 0.717 (S_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: 479
Temperature: 0.900000
Total energy: -202.799580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.799580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.004564 (E_RNA)
where:
Base-Base interactions energy: -120.632
where: short stacking energy: -68.367
Base-Backbone interact. energy: -0.911
local terms energy: -81.461756
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -22.878
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -198.093330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.093330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.152667 (E_RNA)
where:
Base-Base interactions energy: -118.881
where: short stacking energy: -63.948
Base-Backbone interact. energy: -0.000
local terms energy: -79.271271
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -15.995
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -173.874054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.874054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.192224 (E_RNA)
where:
Base-Base interactions energy: -102.959
where: short stacking energy: -62.698
Base-Backbone interact. energy: -0.043
local terms energy: -71.190764
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -15.356
Dist. restrs. and SS energy: 0.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -166.316234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.316234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.316234 (E_RNA)
where:
Base-Base interactions energy: -99.099
where: short stacking energy: -53.434
Base-Backbone interact. energy: 2.668
local terms energy: -69.885424
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -15.397
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -155.517983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.517983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.517983 (E_RNA)
where:
Base-Base interactions energy: -90.463
where: short stacking energy: -54.897
Base-Backbone interact. energy: -0.027
local terms energy: -65.028477
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -8.387
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -163.338005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.338005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.582497 (E_RNA)
where:
Base-Base interactions energy: -104.051
where: short stacking energy: -45.254
Base-Backbone interact. energy: -0.373
local terms energy: -59.158280
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -9.863
Dist. restrs. and SS energy: 0.244 (S_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: 479
Temperature: 1.200000
Total energy: -137.394844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.394844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.570348 (E_RNA)
where:
Base-Base interactions energy: -82.798
where: short stacking energy: -36.327
Base-Backbone interact. energy: -0.635
local terms energy: -54.138125
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -6.608
tors. eta vs tors. theta energy: 0.185
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. 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: -143.114068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.114068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.157296 (E_RNA)
where:
Base-Base interactions energy: -82.473
where: short stacking energy: -42.815
Base-Backbone interact. energy: -0.188
local terms energy: -60.496654
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -4.679
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -131.956678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.956678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.956678 (E_RNA)
where:
Base-Base interactions energy: -78.547
where: short stacking energy: -48.678
Base-Backbone interact. energy: -0.110
local terms energy: -53.298899
where:
bonds (distance) C4'-P energy: -10.194
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -8.029
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -8.130
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -108.325370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.325370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.369880 (E_RNA)
where:
Base-Base interactions energy: -66.470
where: short stacking energy: -24.291
Base-Backbone interact. energy: -0.739
local terms energy: -41.160383
where:
bonds (distance) C4'-P energy: -10.156
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -8.176
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: 0.212
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -189.256327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.256327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.256327 (E_RNA)
where:
Base-Base interactions energy: -112.161
where: short stacking energy: -70.370
Base-Backbone interact. energy: -0.165
local terms energy: -76.931090
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -17.642
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: 3
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -195.021234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.021234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.180422 (E_RNA)
where:
Base-Base interactions energy: -122.317
where: short stacking energy: -66.467
Base-Backbone interact. energy: -0.413
local terms energy: -72.449728
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -17.244
Dist. restrs. and SS energy: 0.159 (S_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: 480
Temperature: 1.000000
Total energy: -184.034856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.034856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.140861 (E_RNA)
where:
Base-Base interactions energy: -104.487
where: short stacking energy: -62.034
Base-Backbone interact. energy: -0.119
local terms energy: -79.535039
where:
bonds (distance) C4'-P energy: -16.047
bonds (distance) P-C4' energy: -16.827
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -16.604
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -168.435454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.435454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.765282 (E_RNA)
where:
Base-Base interactions energy: -100.143
where: short stacking energy: -52.305
Base-Backbone interact. energy: 0.570
local terms energy: -69.192832
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -14.764
Dist. restrs. and SS energy: 0.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -145.144412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.144412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.144412 (E_RNA)
where:
Base-Base interactions energy: -86.805
where: short stacking energy: -39.263
Base-Backbone interact. energy: -0.228
local terms energy: -58.110945
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -18.261
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -3.525
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: 7
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -147.941581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.941581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.052727 (E_RNA)
where:
Base-Base interactions energy: -88.465
where: short stacking energy: -53.293
Base-Backbone interact. energy: -0.007
local terms energy: -59.581369
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -8.787
flat angles P-C4'-P energy: -4.195
tors. eta vs tors. theta energy: -13.629
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -139.808979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.808979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.834050 (E_RNA)
where:
Base-Base interactions energy: -67.834
where: short stacking energy: -36.680
Base-Backbone interact. energy: -0.666
local terms energy: -71.333295
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -11.694
Dist. restrs. and SS energy: 0.025 (S_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: 480
Temperature: 1.250000
Total energy: -129.895582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.895582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.895582 (E_RNA)
where:
Base-Base interactions energy: -73.300
where: short stacking energy: -34.051
Base-Backbone interact. energy: -0.133
local terms energy: -56.463032
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -4.350
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: 6
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -129.164635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.164635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.164635 (E_RNA)
where:
Base-Base interactions energy: -71.014
where: short stacking energy: -36.487
Base-Backbone interact. energy: -0.575
local terms energy: -57.575319
where:
bonds (distance) C4'-P energy: -15.094
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -4.335
tors. eta vs tors. theta energy: -10.375
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -125.216589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.216589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.306628 (E_RNA)
where:
Base-Base interactions energy: -74.615
where: short stacking energy: -37.454
Base-Backbone interact. energy: -0.057
local terms energy: -50.635064
where:
bonds (distance) C4'-P energy: -11.120
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -5.527
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -7.919
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -198.590265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.590265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.626079 (E_RNA)
where:
Base-Base interactions energy: -118.863
where: short stacking energy: -73.145
Base-Backbone interact. energy: -0.061
local terms energy: -79.701677
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -20.390
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. 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: -196.775301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.775301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.825936 (E_RNA)
where:
Base-Base interactions energy: -121.443
where: short stacking energy: -73.703
Base-Backbone interact. energy: -0.159
local terms energy: -75.224337
where:
bonds (distance) C4'-P energy: -18.171
bonds (distance) P-C4' energy: -17.811
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -15.468
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -188.678212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.678212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.678212 (E_RNA)
where:
Base-Base interactions energy: -110.092
where: short stacking energy: -63.048
Base-Backbone interact. energy: -0.088
local terms energy: -78.497681
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -14.458
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: 4
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -172.088823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.088823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.088823 (E_RNA)
where:
Base-Base interactions energy: -99.694
where: short stacking energy: -54.700
Base-Backbone interact. energy: 0.062
local terms energy: -72.457316
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -18.906
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -9.627
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: 1
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -158.624624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.624624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.660033 (E_RNA)
where:
Base-Base interactions energy: -95.577
where: short stacking energy: -54.596
Base-Backbone interact. energy: -0.034
local terms energy: -63.049956
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -12.170
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -155.795112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.795112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.795112 (E_RNA)
where:
Base-Base interactions energy: -86.264
where: short stacking energy: -53.575
Base-Backbone interact. energy: 0.343
local terms energy: -69.873863
where:
bonds (distance) C4'-P energy: -10.536
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -13.956
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -144.592916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.592916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.639666 (E_RNA)
where:
Base-Base interactions energy: -79.604
where: short stacking energy: -46.350
Base-Backbone interact. energy: -0.019
local terms energy: -65.016181
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -11.077
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -152.174967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.174967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.830059 (E_RNA)
where:
Base-Base interactions energy: -82.933
where: short stacking energy: -37.255
Base-Backbone interact. energy: -0.660
local terms energy: -69.236595
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -13.801
Dist. restrs. and SS energy: 0.655 (S_DIST_RNA)
chem. 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: -122.163500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.163500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.207356 (E_RNA)
where:
Base-Base interactions energy: -68.386
where: short stacking energy: -35.462
Base-Backbone interact. energy: 0.397
local terms energy: -54.218740
where:
bonds (distance) C4'-P energy: -9.710
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -8.757
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -133.251751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.251751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.465571 (E_RNA)
where:
Base-Base interactions energy: -75.425
where: short stacking energy: -35.362
Base-Backbone interact. energy: -0.284
local terms energy: -57.755933
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -5.875
Dist. restrs. and SS energy: 0.214 (S_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: 482
Temperature: 0.900000
Total energy: -193.536861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.536861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.565272 (E_RNA)
where:
Base-Base interactions energy: -116.044
where: short stacking energy: -61.141
Base-Backbone interact. energy: -0.269
local terms energy: -77.251412
where:
bonds (distance) C4'-P energy: -17.686
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -18.080
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -16.106
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -195.282349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.282349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.327289 (E_RNA)
where:
Base-Base interactions energy: -116.858
where: short stacking energy: -67.580
Base-Backbone interact. energy: 0.007
local terms energy: -78.475914
where:
bonds (distance) C4'-P energy: -18.184
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -17.173
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -170.320744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.320744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.329317 (E_RNA)
where:
Base-Base interactions energy: -99.577
where: short stacking energy: -69.520
Base-Backbone interact. energy: -0.009
local terms energy: -70.743425
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -17.183
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -169.193967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.193967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.355189 (E_RNA)
where:
Base-Base interactions energy: -96.230
where: short stacking energy: -45.276
Base-Backbone interact. energy: -0.302
local terms energy: -72.823020
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -12.014
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -181.085014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.085014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.085014 (E_RNA)
where:
Base-Base interactions energy: -107.113
where: short stacking energy: -60.170
Base-Backbone interact. energy: -0.354
local terms energy: -73.617485
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -13.509
tors. eta vs tors. theta energy: -18.487
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: 6, replica: 8
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -162.887355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.887355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.210149 (E_RNA)
where:
Base-Base interactions energy: -88.411
where: short stacking energy: -45.713
Base-Backbone interact. energy: -0.187
local terms energy: -74.612052
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -10.153
Dist. restrs. and SS energy: 0.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -123.997198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.997198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.163184 (E_RNA)
where:
Base-Base interactions energy: -68.128
where: short stacking energy: -36.608
Base-Backbone interact. energy: -0.191
local terms energy: -55.844124
where:
bonds (distance) C4'-P energy: -11.410
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -4.722
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -141.951813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.951813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.985211 (E_RNA)
where:
Base-Base interactions energy: -81.552
where: short stacking energy: -48.538
Base-Backbone interact. energy: -0.161
local terms energy: -60.272817
where:
bonds (distance) C4'-P energy: -9.910
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -11.643
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -134.986005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.986005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.990782 (E_RNA)
where:
Base-Base interactions energy: -75.779
where: short stacking energy: -44.049
Base-Backbone interact. energy: -0.636
local terms energy: -58.575324
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -9.388
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -127.209788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.209788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.224270 (E_RNA)
where:
Base-Base interactions energy: -78.671
where: short stacking energy: -42.564
Base-Backbone interact. energy: -0.123
local terms energy: -48.430863
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -10.260
flat angles P-C4'-P energy: -4.531
tors. eta vs tors. theta energy: -6.093
Dist. restrs. and SS energy: 0.014 (S_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: 483
Temperature: 0.900000
Total energy: -188.802219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.802219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.575746 (E_RNA)
where:
Base-Base interactions energy: -111.704
where: short stacking energy: -59.317
Base-Backbone interact. energy: -0.043
local terms energy: -77.829260
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -18.055
Dist. restrs. and SS energy: 0.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -193.395162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.395162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.395162 (E_RNA)
where:
Base-Base interactions energy: -109.573
where: short stacking energy: -69.189
Base-Backbone interact. energy: -0.194
local terms energy: -83.627931
where:
bonds (distance) C4'-P energy: -17.615
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -18.715
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -166.060174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.060174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.060174 (E_RNA)
where:
Base-Base interactions energy: -97.375
where: short stacking energy: -67.635
Base-Backbone interact. energy: -0.049
local terms energy: -68.635868
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -15.115
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: 4, replica: 3
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -169.296490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.296490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.343334 (E_RNA)
where:
Base-Base interactions energy: -95.378
where: short stacking energy: -53.883
Base-Backbone interact. energy: -0.237
local terms energy: -73.727957
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -13.794
tors. eta vs tors. theta energy: -13.840
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -174.622475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.622475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.623726 (E_RNA)
where:
Base-Base interactions energy: -94.062
where: short stacking energy: -60.462
Base-Backbone interact. energy: -0.045
local terms energy: -80.517333
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -18.650
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -16.424
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -144.751214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.751214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.753992 (E_RNA)
where:
Base-Base interactions energy: -72.034
where: short stacking energy: -45.030
Base-Backbone interact. energy: -0.031
local terms energy: -72.688860
where:
bonds (distance) C4'-P energy: -17.889
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -7.681
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -141.669535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.669535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.669535 (E_RNA)
where:
Base-Base interactions energy: -77.395
where: short stacking energy: -45.508
Base-Backbone interact. energy: -0.114
local terms energy: -64.160437
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -11.416
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: 8, replica: 5
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -136.300636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.300636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.300636 (E_RNA)
where:
Base-Base interactions energy: -76.474
where: short stacking energy: -44.336
Base-Backbone interact. energy: -0.085
local terms energy: -59.741007
where:
bonds (distance) C4'-P energy: -11.865
bonds (distance) P-C4' energy: -12.893
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -8.438
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: 7
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -135.160202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.160202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.443274 (E_RNA)
where:
Base-Base interactions energy: -77.262
where: short stacking energy: -39.515
Base-Backbone interact. energy: 0.178
local terms energy: -58.358990
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -11.192
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -7.016
Dist. restrs. and SS energy: 0.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -121.046641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.046641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.046641 (E_RNA)
where:
Base-Base interactions energy: -65.172
where: short stacking energy: -31.788
Base-Backbone interact. energy: -0.149
local terms energy: -55.725240
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -5.444
tors. eta vs tors. theta energy: -5.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -199.610718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.610718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.624041 (E_RNA)
where:
Base-Base interactions energy: -121.417
where: short stacking energy: -72.310
Base-Backbone interact. energy: -0.028
local terms energy: -78.178540
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -18.395
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -18.439
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. 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: -194.498439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.498439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.498439 (E_RNA)
where:
Base-Base interactions energy: -116.712
where: short stacking energy: -68.668
Base-Backbone interact. energy: 0.213
local terms energy: -77.999121
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -19.554
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -172.751678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.751678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.931382 (E_RNA)
where:
Base-Base interactions energy: -98.569
where: short stacking energy: -58.703
Base-Backbone interact. energy: -0.509
local terms energy: -73.853608
where:
bonds (distance) C4'-P energy: -16.701
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -15.627
Dist. restrs. and SS energy: 0.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -162.319788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.319788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.364873 (E_RNA)
where:
Base-Base interactions energy: -91.116
where: short stacking energy: -51.453
Base-Backbone interact. energy: -0.023
local terms energy: -71.226070
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -16.499
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -146.588451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.588451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.588451 (E_RNA)
where:
Base-Base interactions energy: -87.397
where: short stacking energy: -53.247
Base-Backbone interact. energy: -0.224
local terms energy: -58.968076
where:
bonds (distance) C4'-P energy: -9.431
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -10.651
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: 1
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -160.898261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.898261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.950723 (E_RNA)
where:
Base-Base interactions energy: -91.785
where: short stacking energy: -46.341
Base-Backbone interact. energy: -0.393
local terms energy: -68.772621
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -13.921
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -142.403747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.403747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.430610 (E_RNA)
where:
Base-Base interactions energy: -79.047
where: short stacking energy: -48.305
Base-Backbone interact. energy: 0.278
local terms energy: -63.662127
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -10.229
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. 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: -129.715249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.715249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.762234 (E_RNA)
where:
Base-Base interactions energy: -79.178
where: short stacking energy: -48.760
Base-Backbone interact. energy: -0.187
local terms energy: -50.397982
where:
bonds (distance) C4'-P energy: -9.097
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -3.129
tors. eta vs tors. theta energy: -10.314
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. 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: -140.258768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.258768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.258768 (E_RNA)
where:
Base-Base interactions energy: -74.905
where: short stacking energy: -37.939
Base-Backbone interact. energy: 1.274
local terms energy: -66.626991
where:
bonds (distance) C4'-P energy: -16.663
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -7.585
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: 7
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -116.866921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.866921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.880488 (E_RNA)
where:
Base-Base interactions energy: -65.271
where: short stacking energy: -40.521
Base-Backbone interact. energy: 1.361
local terms energy: -52.970666
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -5.063
tors. eta vs tors. theta energy: -11.814
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -193.868998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.868998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.052745 (E_RNA)
where:
Base-Base interactions energy: -116.253
where: short stacking energy: -60.042
Base-Backbone interact. energy: -0.127
local terms energy: -77.672560
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -16.986
Dist. restrs. and SS energy: 0.184 (S_DIST_RNA)
chem. 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: -190.144677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.144677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.144677 (E_RNA)
where:
Base-Base interactions energy: -111.259
where: short stacking energy: -62.436
Base-Backbone interact. energy: -0.079
local terms energy: -78.807015
where:
bonds (distance) C4'-P energy: -16.476
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -16.637
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -185.436345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.436345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.438574 (E_RNA)
where:
Base-Base interactions energy: -112.034
where: short stacking energy: -65.697
Base-Backbone interact. energy: -1.735
local terms energy: -71.669669
where:
bonds (distance) C4'-P energy: -16.375
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -18.978
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: -18.250
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. 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: -159.583243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.583243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.583243 (E_RNA)
where:
Base-Base interactions energy: -97.531
where: short stacking energy: -52.295
Base-Backbone interact. energy: -0.201
local terms energy: -61.851807
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -11.758
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -156.737429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.737429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.750879 (E_RNA)
where:
Base-Base interactions energy: -93.485
where: short stacking energy: -50.642
Base-Backbone interact. energy: 0.380
local terms energy: -63.645376
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -13.683
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -174.640514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.640514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.647283 (E_RNA)
where:
Base-Base interactions energy: -105.618
where: short stacking energy: -56.255
Base-Backbone interact. energy: -0.009
local terms energy: -69.020071
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -6.865
tors. eta vs tors. theta energy: -15.305
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -145.545182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.545182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.588601 (E_RNA)
where:
Base-Base interactions energy: -83.853
where: short stacking energy: -43.008
Base-Backbone interact. energy: 0.283
local terms energy: -62.018784
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -4.214
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. 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: -132.992226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.992226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.022192 (E_RNA)
where:
Base-Base interactions energy: -74.394
where: short stacking energy: -44.238
Base-Backbone interact. energy: -0.929
local terms energy: -57.698850
where:
bonds (distance) C4'-P energy: -10.380
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: -8.555
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. 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: -123.045372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.045372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.079160 (E_RNA)
where:
Base-Base interactions energy: -65.635
where: short stacking energy: -34.685
Base-Backbone interact. energy: -0.380
local terms energy: -57.064729
where:
bonds (distance) C4'-P energy: -15.815
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -11.517
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -3.874
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -118.489985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.489985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.489985 (E_RNA)
where:
Base-Base interactions energy: -72.498
where: short stacking energy: -35.605
Base-Backbone interact. energy: 1.159
local terms energy: -47.151139
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -2.629
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -194.928183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.928183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.058782 (E_RNA)
where:
Base-Base interactions energy: -113.551
where: short stacking energy: -64.066
Base-Backbone interact. energy: -0.003
local terms energy: -81.504566
where:
bonds (distance) C4'-P energy: -18.816
bonds (distance) P-C4' energy: -11.268
flat angles C4'-P-C4' energy: -19.012
flat angles P-C4'-P energy: -14.080
tors. eta vs tors. theta energy: -18.329
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -176.225796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.225796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.241045 (E_RNA)
where:
Base-Base interactions energy: -110.167
where: short stacking energy: -66.537
Base-Backbone interact. energy: -0.075
local terms energy: -65.998666
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -13.548
Dist. restrs. and SS energy: 0.015 (S_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: 486
Temperature: 1.000000
Total energy: -178.499628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.499628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.509436 (E_RNA)
where:
Base-Base interactions energy: -102.512
where: short stacking energy: -64.502
Base-Backbone interact. energy: -0.043
local terms energy: -75.954857
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -17.548
Dist. restrs. and SS energy: 0.010 (S_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: 486
Temperature: 1.050000
Total energy: -175.796664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.796664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.125811 (E_RNA)
where:
Base-Base interactions energy: -109.662
where: short stacking energy: -59.158
Base-Backbone interact. energy: -0.443
local terms energy: -66.021089
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -11.301
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -15.902
Dist. restrs. and SS energy: 0.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -167.297404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.297404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.297404 (E_RNA)
where:
Base-Base interactions energy: -102.316
where: short stacking energy: -59.619
Base-Backbone interact. energy: -0.039
local terms energy: -64.942560
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -16.686
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -5.697
tors. eta vs tors. theta energy: -13.614
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -151.578971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.578971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.578971 (E_RNA)
where:
Base-Base interactions energy: -91.579
where: short stacking energy: -52.075
Base-Backbone interact. energy: -0.031
local terms energy: -59.969164
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -18.945
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -6.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -147.965216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.965216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.965216 (E_RNA)
where:
Base-Base interactions energy: -84.737
where: short stacking energy: -46.126
Base-Backbone interact. energy: -0.160
local terms energy: -63.068348
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -17.692
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -9.635
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: 486
Temperature: 1.250000
Total energy: -120.738647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.738647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.755506 (E_RNA)
where:
Base-Base interactions energy: -69.680
where: short stacking energy: -36.747
Base-Backbone interact. energy: -0.112
local terms energy: -50.964071
where:
bonds (distance) C4'-P energy: -9.407
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -4.336
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. 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: -127.902139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.902139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.986016 (E_RNA)
where:
Base-Base interactions energy: -79.802
where: short stacking energy: -33.742
Base-Backbone interact. energy: -0.412
local terms energy: -47.772211
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -6.432
flat angles P-C4'-P energy: -6.246
tors. eta vs tors. theta energy: -5.850
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -115.439424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.439424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.439424 (E_RNA)
where:
Base-Base interactions energy: -70.518
where: short stacking energy: -32.310
Base-Backbone interact. energy: -0.286
local terms energy: -44.634627
where:
bonds (distance) C4'-P energy: -10.946
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -11.069
flat angles P-C4'-P energy: -5.029
tors. eta vs tors. theta energy: -0.901
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -198.088701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.088701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.088701 (E_RNA)
where:
Base-Base interactions energy: -118.347
where: short stacking energy: -66.405
Base-Backbone interact. energy: -0.085
local terms energy: -79.656601
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -20.797
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -191.839777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.839777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.839900 (E_RNA)
where:
Base-Base interactions energy: -114.377
where: short stacking energy: -63.343
Base-Backbone interact. energy: 0.009
local terms energy: -77.471899
where:
bonds (distance) C4'-P energy: -18.398
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -18.083
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: 10
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -182.924793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.924793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.269643 (E_RNA)
where:
Base-Base interactions energy: -114.106
where: short stacking energy: -54.331
Base-Backbone interact. energy: 0.722
local terms energy: -69.885199
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -18.522
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -12.544
Dist. restrs. and SS energy: 0.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -173.624983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.624983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.821536 (E_RNA)
where:
Base-Base interactions energy: -106.542
where: short stacking energy: -51.886
Base-Backbone interact. energy: -0.427
local terms energy: -66.853219
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -16.077
flat angles C4'-P-C4' energy: -18.346
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: -9.864
Dist. restrs. and SS energy: 0.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -178.512725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.512725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.714364 (E_RNA)
where:
Base-Base interactions energy: -111.338
where: short stacking energy: -65.956
Base-Backbone interact. energy: -0.300
local terms energy: -67.076110
where:
bonds (distance) C4'-P energy: -10.343
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -17.063
Dist. restrs. and SS energy: 0.202 (S_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: 487
Temperature: 1.150000
Total energy: -150.324530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.324530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.324530 (E_RNA)
where:
Base-Base interactions energy: -81.593
where: short stacking energy: -47.522
Base-Backbone interact. energy: -0.932
local terms energy: -67.799809
where:
bonds (distance) C4'-P energy: -11.165
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -16.883
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: 3
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -140.011872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.011872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.040396 (E_RNA)
where:
Base-Base interactions energy: -84.309
where: short stacking energy: -39.916
Base-Backbone interact. energy: 0.547
local terms energy: -56.277939
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -3.039
Dist. restrs. and SS energy: 0.029 (S_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: 487
Temperature: 1.250000
Total energy: -146.437830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.437830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.458090 (E_RNA)
where:
Base-Base interactions energy: -84.883
where: short stacking energy: -41.161
Base-Backbone interact. energy: -0.089
local terms energy: -61.486818
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -11.241
Dist. restrs. and SS energy: 0.020 (S_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: 487
Temperature: 1.300000
Total energy: -124.884470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.884470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.096396 (E_RNA)
where:
Base-Base interactions energy: -65.523
where: short stacking energy: -38.386
Base-Backbone interact. energy: -0.288
local terms energy: -59.285469
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -5.005
Dist. restrs. and SS energy: 0.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -112.384732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.384732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.595109 (E_RNA)
where:
Base-Base interactions energy: -64.611
where: short stacking energy: -34.523
Base-Backbone interact. energy: -0.440
local terms energy: -47.543972
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -10.680
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -3.231
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -192.030977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.030977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.295005 (E_RNA)
where:
Base-Base interactions energy: -113.039
where: short stacking energy: -60.075
Base-Backbone interact. energy: -0.015
local terms energy: -79.240499
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -17.011
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -14.351
tors. eta vs tors. theta energy: -15.785
Dist. restrs. and SS energy: 0.264 (S_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: 488
Temperature: 0.950000
Total energy: -192.503446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.503446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.233646 (E_RNA)
where:
Base-Base interactions energy: -113.465
where: short stacking energy: -66.534
Base-Backbone interact. energy: -0.550
local terms energy: -79.218726
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: -23.133
Dist. restrs. and SS energy: 0.730 (S_DIST_RNA)
chem. 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: -176.429204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.429204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.451953 (E_RNA)
where:
Base-Base interactions energy: -113.854
where: short stacking energy: -63.118
Base-Backbone interact. energy: -1.023
local terms energy: -61.574980
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -11.208
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -16.851
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -177.303909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.303909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.303909 (E_RNA)
where:
Base-Base interactions energy: -108.429
where: short stacking energy: -64.242
Base-Backbone interact. energy: -0.031
local terms energy: -68.843502
where:
bonds (distance) C4'-P energy: -13.807
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: -16.032
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -169.649328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.649328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.655292 (E_RNA)
where:
Base-Base interactions energy: -102.824
where: short stacking energy: -53.095
Base-Backbone interact. energy: 0.250
local terms energy: -67.081366
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -6.109
tors. eta vs tors. theta energy: -12.503
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -159.004493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.004493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.140622 (E_RNA)
where:
Base-Base interactions energy: -102.555
where: short stacking energy: -58.415
Base-Backbone interact. energy: 0.774
local terms energy: -57.359274
where:
bonds (distance) C4'-P energy: -9.982
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -10.453
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -14.499
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -151.616238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.616238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.622854 (E_RNA)
where:
Base-Base interactions energy: -84.395
where: short stacking energy: -51.842
Base-Backbone interact. energy: -0.085
local terms energy: -67.142539
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -13.902
Dist. restrs. and SS energy: 0.007 (S_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: 488
Temperature: 1.250000
Total energy: -117.588367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.588367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.674795 (E_RNA)
where:
Base-Base interactions energy: -67.804
where: short stacking energy: -33.792
Base-Backbone interact. energy: -0.283
local terms energy: -49.587955
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -10.457
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: 0.429
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -98.019616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.019616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.268953 (E_RNA)
where:
Base-Base interactions energy: -48.591
where: short stacking energy: -23.277
Base-Backbone interact. energy: -0.135
local terms energy: -52.542676
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -11.674
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -2.071
Dist. restrs. and SS energy: 3.249 (S_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: 488
Temperature: 1.350000
Total energy: -121.999854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.999854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.254506 (E_RNA)
where:
Base-Base interactions energy: -74.554
where: short stacking energy: -36.313
Base-Backbone interact. energy: -0.591
local terms energy: -47.109185
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -7.417
flat angles C4'-P-C4' energy: -9.064
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -6.763
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -193.447748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.447748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.490657 (E_RNA)
where:
Base-Base interactions energy: -115.414
where: short stacking energy: -64.455
Base-Backbone interact. energy: -0.011
local terms energy: -78.064993
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -14.385
Dist. restrs. and SS energy: 0.043 (S_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: 489
Temperature: 0.950000
Total energy: -176.443258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.443258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.446893 (E_RNA)
where:
Base-Base interactions energy: -103.444
where: short stacking energy: -56.099
Base-Backbone interact. energy: -0.827
local terms energy: -72.175244
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -11.587
Dist. restrs. and SS energy: 0.004 (S_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: 489
Temperature: 1.000000
Total energy: -173.399088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.399088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.425700 (E_RNA)
where:
Base-Base interactions energy: -99.721
where: short stacking energy: -68.254
Base-Backbone interact. energy: -0.007
local terms energy: -73.697438
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -17.605
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -179.373084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.373084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.456072 (E_RNA)
where:
Base-Base interactions energy: -118.569
where: short stacking energy: -61.028
Base-Backbone interact. energy: -0.178
local terms energy: -60.708455
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -18.860
flat angles C4'-P-C4' energy: -7.664
flat angles P-C4'-P energy: -5.446
tors. eta vs tors. theta energy: -15.498
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -165.751440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.751440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.090453 (E_RNA)
where:
Base-Base interactions energy: -96.707
where: short stacking energy: -50.577
Base-Backbone interact. energy: -0.056
local terms energy: -69.327047
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -14.831
Dist. restrs. and SS energy: 0.339 (S_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: -139.082535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.082535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.087809 (E_RNA)
where:
Base-Base interactions energy: -78.943
where: short stacking energy: -44.509
Base-Backbone interact. energy: -0.375
local terms energy: -59.770098
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -10.312
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -4.976
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -158.225783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.225783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.666786 (E_RNA)
where:
Base-Base interactions energy: -92.346
where: short stacking energy: -51.730
Base-Backbone interact. energy: -0.300
local terms energy: -66.020887
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -3.966
tors. eta vs tors. theta energy: -14.861
Dist. restrs. and SS energy: 0.441 (S_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: 489
Temperature: 1.250000
Total energy: -141.227519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.227519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.228461 (E_RNA)
where:
Base-Base interactions energy: -80.514
where: short stacking energy: -48.710
Base-Backbone interact. energy: 0.241
local terms energy: -60.956104
where:
bonds (distance) C4'-P energy: -13.682
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -11.329
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. 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: -129.885761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.885761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.902722 (E_RNA)
where:
Base-Base interactions energy: -65.311
where: short stacking energy: -34.103
Base-Backbone interact. energy: -0.503
local terms energy: -64.088553
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -11.522
Dist. restrs. and SS energy: 0.017 (S_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: 489
Temperature: 1.350000
Total energy: -146.334572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.334572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.420355 (E_RNA)
where:
Base-Base interactions energy: -89.449
where: short stacking energy: -54.257
Base-Backbone interact. energy: 1.170
local terms energy: -58.141773
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -8.228
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -12.305
Dist. restrs. and SS energy: 0.086 (S_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: 490
Temperature: 0.900000
Total energy: -178.808617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.808617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.001671 (E_RNA)
where:
Base-Base interactions energy: -99.751
where: short stacking energy: -58.628
Base-Backbone interact. energy: -0.119
local terms energy: -79.131831
where:
bonds (distance) C4'-P energy: -17.667
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -17.277
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -14.648
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -203.778093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.778093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.367751 (E_RNA)
where:
Base-Base interactions energy: -120.083
where: short stacking energy: -68.487
Base-Backbone interact. energy: -0.005
local terms energy: -84.280160
where:
bonds (distance) C4'-P energy: -16.908
bonds (distance) P-C4' energy: -17.397
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -14.390
tors. eta vs tors. theta energy: -22.153
Dist. restrs. and SS energy: 0.590 (S_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: 490
Temperature: 1.000000
Total energy: -179.776296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.776296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.790066 (E_RNA)
where:
Base-Base interactions energy: -102.437
where: short stacking energy: -52.814
Base-Backbone interact. energy: -0.036
local terms energy: -77.317022
where:
bonds (distance) C4'-P energy: -10.814
bonds (distance) P-C4' energy: -19.004
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: -15.829
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -168.174278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.174278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.333884 (E_RNA)
where:
Base-Base interactions energy: -101.446
where: short stacking energy: -54.305
Base-Backbone interact. energy: -0.068
local terms energy: -66.819328
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -15.171
Dist. restrs. and SS energy: 0.160 (S_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: 490
Temperature: 1.100000
Total energy: -148.767949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.767949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.767949 (E_RNA)
where:
Base-Base interactions energy: -87.779
where: short stacking energy: -50.184
Base-Backbone interact. energy: -0.996
local terms energy: -59.993052
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -13.942
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: -12.344
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: 5
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -151.534893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.534893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.606804 (E_RNA)
where:
Base-Base interactions energy: -86.899
where: short stacking energy: -54.449
Base-Backbone interact. energy: 0.208
local terms energy: -64.916162
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -6.954
tors. eta vs tors. theta energy: -9.556
Dist. restrs. and SS energy: 0.072 (S_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: 490
Temperature: 1.200000
Total energy: -156.497224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.497224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.780894 (E_RNA)
where:
Base-Base interactions energy: -93.846
where: short stacking energy: -53.396
Base-Backbone interact. energy: -0.083
local terms energy: -62.851721
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -6.084
tors. eta vs tors. theta energy: -16.470
Dist. restrs. and SS energy: 0.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -139.670937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.670937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.675850 (E_RNA)
where:
Base-Base interactions energy: -83.651
where: short stacking energy: -44.723
Base-Backbone interact. energy: -0.322
local terms energy: -55.703241
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -8.048
flat angles P-C4'-P energy: -5.919
tors. eta vs tors. theta energy: -11.523
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. 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: -139.881986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.881986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.882157 (E_RNA)
where:
Base-Base interactions energy: -81.051
where: short stacking energy: -35.830
Base-Backbone interact. energy: -0.041
local terms energy: -58.789700
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: -8.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -116.942119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.942119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.988803 (E_RNA)
where:
Base-Base interactions energy: -67.943
where: short stacking energy: -37.105
Base-Backbone interact. energy: -0.483
local terms energy: -48.562991
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -13.177
flat angles C4'-P-C4' energy: -11.009
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -2.038
Dist. restrs. and SS energy: 0.047 (S_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: 491
Temperature: 0.900000
Total energy: -190.300629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.300629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.318651 (E_RNA)
where:
Base-Base interactions energy: -112.513
where: short stacking energy: -65.535
Base-Backbone interact. energy: -0.012
local terms energy: -77.793946
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -18.177
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -202.503364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.503364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.503364 (E_RNA)
where:
Base-Base interactions energy: -117.759
where: short stacking energy: -70.308
Base-Backbone interact. energy: -1.022
local terms energy: -83.722382
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: -18.323
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: 6
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -174.529563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.529563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.915227 (E_RNA)
where:
Base-Base interactions energy: -107.136
where: short stacking energy: -52.686
Base-Backbone interact. energy: -0.497
local terms energy: -67.282395
where:
bonds (distance) C4'-P energy: -15.923
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -10.723
Dist. restrs. and SS energy: 0.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -180.769922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.769922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.805064 (E_RNA)
where:
Base-Base interactions energy: -112.051
where: short stacking energy: -63.432
Base-Backbone interact. energy: -0.505
local terms energy: -68.248509
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -10.918
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -19.808
Dist. restrs. and SS energy: 0.035 (S_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: 491
Temperature: 1.100000
Total energy: -163.188521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.188521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.188521 (E_RNA)
where:
Base-Base interactions energy: -92.853
where: short stacking energy: -44.391
Base-Backbone interact. energy: -0.476
local terms energy: -69.859933
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -17.613
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -14.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -158.994265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.994265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.016093 (E_RNA)
where:
Base-Base interactions energy: -99.477
where: short stacking energy: -56.152
Base-Backbone interact. energy: 0.097
local terms energy: -59.635559
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -4.524
tors. eta vs tors. theta energy: -14.506
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -153.850283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.850283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.062266 (E_RNA)
where:
Base-Base interactions energy: -95.856
where: short stacking energy: -46.651
Base-Backbone interact. energy: -0.088
local terms energy: -58.118278
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -5.837
tors. eta vs tors. theta energy: -7.964
Dist. restrs. and SS energy: 0.212 (S_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: 491
Temperature: 1.250000
Total energy: -129.811861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.811861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.817407 (E_RNA)
where:
Base-Base interactions energy: -70.773
where: short stacking energy: -38.221
Base-Backbone interact. energy: -0.641
local terms energy: -58.402885
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -4.311
Dist. restrs. and SS energy: 0.006 (S_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: 491
Temperature: 1.300000
Total energy: -132.767184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.767184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.014237 (E_RNA)
where:
Base-Base interactions energy: -86.794
where: short stacking energy: -37.047
Base-Backbone interact. energy: -0.337
local terms energy: -45.882783
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -7.811
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -0.913
Dist. restrs. and SS energy: 0.247 (S_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: 491
Temperature: 1.350000
Total energy: -110.859530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.859530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.147204 (E_RNA)
where:
Base-Base interactions energy: -57.648
where: short stacking energy: -36.523
Base-Backbone interact. energy: -1.226
local terms energy: -52.273351
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -12.082
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -2.623
Dist. restrs. and SS energy: 0.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -186.316985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.316985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.613702 (E_RNA)
where:
Base-Base interactions energy: -109.130
where: short stacking energy: -66.042
Base-Backbone interact. energy: -0.041
local terms energy: -77.442582
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -19.223
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -17.075
Dist. restrs. and SS energy: 0.297 (S_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: 492
Temperature: 0.950000
Total energy: -182.666508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.666508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.666508 (E_RNA)
where:
Base-Base interactions energy: -116.177
where: short stacking energy: -52.229
Base-Backbone interact. energy: -0.121
local terms energy: -66.368401
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -8.397
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: 3, replica: 10
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -183.299182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.299182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.516972 (E_RNA)
where:
Base-Base interactions energy: -111.398
where: short stacking energy: -64.335
Base-Backbone interact. energy: -0.040
local terms energy: -72.078894
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -10.615
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -20.858
Dist. restrs. and SS energy: 0.218 (S_DIST_RNA)
chem. 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: -176.389585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.389585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.695711 (E_RNA)
where:
Base-Base interactions energy: -104.299
where: short stacking energy: -65.363
Base-Backbone interact. energy: -0.043
local terms energy: -72.353908
where:
bonds (distance) C4'-P energy: -14.622
bonds (distance) P-C4' energy: -17.779
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -16.672
Dist. restrs. and SS energy: 0.306 (S_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: 492
Temperature: 1.100000
Total energy: -168.459409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.459409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.565526 (E_RNA)
where:
Base-Base interactions energy: -95.029
where: short stacking energy: -49.418
Base-Backbone interact. energy: -0.424
local terms energy: -73.112849
where:
bonds (distance) C4'-P energy: -18.114
bonds (distance) P-C4' energy: -12.583
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -13.544
tors. eta vs tors. theta energy: -16.326
Dist. restrs. and SS energy: 0.106 (S_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: -149.406986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.406986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.411072 (E_RNA)
where:
Base-Base interactions energy: -80.360
where: short stacking energy: -50.172
Base-Backbone interact. energy: -0.079
local terms energy: -68.971937
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -12.072
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -148.079545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.079545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.082320 (E_RNA)
where:
Base-Base interactions energy: -81.820
where: short stacking energy: -40.626
Base-Backbone interact. energy: -0.220
local terms energy: -66.041885
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -15.683
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -11.877
Dist. restrs. and SS energy: 0.003 (S_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: 492
Temperature: 1.250000
Total energy: -134.592134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.592134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.592134 (E_RNA)
where:
Base-Base interactions energy: -72.213
where: short stacking energy: -38.232
Base-Backbone interact. energy: -0.795
local terms energy: -61.583819
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -5.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -129.723097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.723097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.723097 (E_RNA)
where:
Base-Base interactions energy: -70.230
where: short stacking energy: -44.012
Base-Backbone interact. energy: -0.172
local terms energy: -59.320614
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -5.260
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -121.273902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.273902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.273902 (E_RNA)
where:
Base-Base interactions energy: -68.305
where: short stacking energy: -31.077
Base-Backbone interact. energy: -0.503
local terms energy: -52.466621
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -9.572
flat angles P-C4'-P energy: -6.780
tors. eta vs tors. theta energy: -4.871
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -191.077074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.077074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.175970 (E_RNA)
where:
Base-Base interactions energy: -115.680
where: short stacking energy: -68.872
Base-Backbone interact. energy: -0.012
local terms energy: -75.484157
where:
bonds (distance) C4'-P energy: -14.655
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -20.468
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -184.085946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.085946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.572280 (E_RNA)
where:
Base-Base interactions energy: -108.867
where: short stacking energy: -61.649
Base-Backbone interact. energy: -0.013
local terms energy: -75.692594
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -16.680
Dist. restrs. and SS energy: 0.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -184.785409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.785409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.949735 (E_RNA)
where:
Base-Base interactions energy: -111.469
where: short stacking energy: -61.911
Base-Backbone interact. energy: 0.723
local terms energy: -74.203977
where:
bonds (distance) C4'-P energy: -17.525
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -14.464
Dist. restrs. and SS energy: 0.164 (S_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: 493
Temperature: 1.050000
Total energy: -176.342135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.342135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.342135 (E_RNA)
where:
Base-Base interactions energy: -107.048
where: short stacking energy: -62.322
Base-Backbone interact. energy: -0.014
local terms energy: -69.279654
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -10.746
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -16.716
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -165.508150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.508150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.720615 (E_RNA)
where:
Base-Base interactions energy: -98.621
where: short stacking energy: -51.017
Base-Backbone interact. energy: 0.572
local terms energy: -67.671475
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: -10.899
Dist. restrs. and SS energy: 0.212 (S_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: -161.634996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.634996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.650626 (E_RNA)
where:
Base-Base interactions energy: -94.751
where: short stacking energy: -58.523
Base-Backbone interact. energy: -0.001
local terms energy: -66.899103
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -12.886
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -148.588243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.588243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.635090 (E_RNA)
where:
Base-Base interactions energy: -87.420
where: short stacking energy: -41.057
Base-Backbone interact. energy: -0.786
local terms energy: -60.428272
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -6.443
tors. eta vs tors. theta energy: -11.950
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. 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: -141.011245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.011245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.227413 (E_RNA)
where:
Base-Base interactions energy: -87.223
where: short stacking energy: -39.624
Base-Backbone interact. energy: -0.424
local terms energy: -53.580739
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -5.403
tors. eta vs tors. theta energy: -4.100
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. 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: -119.527554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.527554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.551948 (E_RNA)
where:
Base-Base interactions energy: -65.486
where: short stacking energy: -38.886
Base-Backbone interact. energy: -0.225
local terms energy: -53.840714
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -12.467
flat angles C4'-P-C4' energy: -11.073
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -8.113
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. 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: -120.386944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.386944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.407964 (E_RNA)
where:
Base-Base interactions energy: -60.433
where: short stacking energy: -33.666
Base-Backbone interact. energy: -0.055
local terms energy: -59.919697
where:
bonds (distance) C4'-P energy: -17.616
bonds (distance) P-C4' energy: -11.678
flat angles C4'-P-C4' energy: -10.320
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -7.045
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -196.157064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.157064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.330926 (E_RNA)
where:
Base-Base interactions energy: -120.682
where: short stacking energy: -65.667
Base-Backbone interact. energy: -0.185
local terms energy: -75.464800
where:
bonds (distance) C4'-P energy: -10.238
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -14.593
tors. eta vs tors. theta energy: -18.258
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -181.738190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.738190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.738190 (E_RNA)
where:
Base-Base interactions energy: -106.814
where: short stacking energy: -57.923
Base-Backbone interact. energy: -0.479
local terms energy: -74.444666
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -17.390
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -166.043985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.043985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.076202 (E_RNA)
where:
Base-Base interactions energy: -104.699
where: short stacking energy: -61.228
Base-Backbone interact. energy: -0.121
local terms energy: -61.256364
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -8.698
flat angles P-C4'-P energy: -5.400
tors. eta vs tors. theta energy: -15.645
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. 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: -177.736401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.736401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.762629 (E_RNA)
where:
Base-Base interactions energy: -108.557
where: short stacking energy: -57.989
Base-Backbone interact. energy: -0.116
local terms energy: -69.089872
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -14.819
Dist. restrs. and SS energy: 0.026 (S_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: 494
Temperature: 1.100000
Total energy: -167.888532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.888532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.888532 (E_RNA)
where:
Base-Base interactions energy: -94.007
where: short stacking energy: -57.937
Base-Backbone interact. energy: -0.009
local terms energy: -73.872279
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -8.764
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: 6, replica: 6
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -161.020832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.020832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.034962 (E_RNA)
where:
Base-Base interactions energy: -97.387
where: short stacking energy: -49.531
Base-Backbone interact. energy: -0.055
local terms energy: -63.592952
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -11.371
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -11.953
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -142.284583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.284583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.335213 (E_RNA)
where:
Base-Base interactions energy: -83.836
where: short stacking energy: -39.164
Base-Backbone interact. energy: -0.303
local terms energy: -58.196372
where:
bonds (distance) C4'-P energy: -10.884
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -6.656
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -118.683050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.683050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.683050 (E_RNA)
where:
Base-Base interactions energy: -61.915
where: short stacking energy: -33.871
Base-Backbone interact. energy: -0.356
local terms energy: -56.411874
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -9.749
flat angles P-C4'-P energy: -9.848
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: 2
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -125.534931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.534931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.712408 (E_RNA)
where:
Base-Base interactions energy: -80.381
where: short stacking energy: -35.396
Base-Backbone interact. energy: 0.284
local terms energy: -45.614919
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -3.184
tors. eta vs tors. theta energy: -6.252
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. 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: -93.356651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.356651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.481522 (E_RNA)
where:
Base-Base interactions energy: -49.046
where: short stacking energy: -21.960
Base-Backbone interact. energy: -0.186
local terms energy: -44.249333
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -4.391
tors. eta vs tors. theta energy: 3.236
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -192.066105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.066105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.310173 (E_RNA)
where:
Base-Base interactions energy: -111.501
where: short stacking energy: -64.277
Base-Backbone interact. energy: -0.438
local terms energy: -80.371763
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -19.506
Dist. restrs. and SS energy: 0.244 (S_DIST_RNA)
chem. 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: -197.609186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.609186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.762596 (E_RNA)
where:
Base-Base interactions energy: -123.093
where: short stacking energy: -74.061
Base-Backbone interact. energy: -0.170
local terms energy: -74.500257
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -18.025
Dist. restrs. and SS energy: 0.153 (S_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: 495
Temperature: 1.000000
Total energy: -169.444897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.444897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.477866 (E_RNA)
where:
Base-Base interactions energy: -97.168
where: short stacking energy: -65.509
Base-Backbone interact. energy: -0.006
local terms energy: -72.304087
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -17.056
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. 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: -178.339624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.339624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.606262 (E_RNA)
where:
Base-Base interactions energy: -104.298
where: short stacking energy: -61.667
Base-Backbone interact. energy: -0.147
local terms energy: -74.160475
where:
bonds (distance) C4'-P energy: -14.461
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -17.942
Dist. restrs. and SS energy: 0.267 (S_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: 495
Temperature: 1.100000
Total energy: -169.571494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.571494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.822618 (E_RNA)
where:
Base-Base interactions energy: -95.778
where: short stacking energy: -55.306
Base-Backbone interact. energy: -0.784
local terms energy: -73.260569
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -17.267
Dist. restrs. and SS energy: 0.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -145.015775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.015775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.056246 (E_RNA)
where:
Base-Base interactions energy: -86.342
where: short stacking energy: -54.632
Base-Backbone interact. energy: -0.120
local terms energy: -58.594014
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -11.516
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -10.839
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -148.537324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.537324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.703113 (E_RNA)
where:
Base-Base interactions energy: -84.962
where: short stacking energy: -40.820
Base-Backbone interact. energy: -0.223
local terms energy: -63.518096
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -10.404
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -154.371348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.371348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.465076 (E_RNA)
where:
Base-Base interactions energy: -90.153
where: short stacking energy: -55.096
Base-Backbone interact. energy: -0.005
local terms energy: -64.307273
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -12.746
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. 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: -127.125105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.125105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.125105 (E_RNA)
where:
Base-Base interactions energy: -77.089
where: short stacking energy: -48.053
Base-Backbone interact. energy: 1.863
local terms energy: -51.899378
where:
bonds (distance) C4'-P energy: -9.165
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -7.464
tors. eta vs tors. theta energy: -7.664
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: 495
Temperature: 1.350000
Total energy: -130.417766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.417766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.417766 (E_RNA)
where:
Base-Base interactions energy: -74.906
where: short stacking energy: -39.747
Base-Backbone interact. energy: -0.909
local terms energy: -54.602839
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -6.246
tors. eta vs tors. theta energy: -6.661
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -196.667022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.667022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.685300 (E_RNA)
where:
Base-Base interactions energy: -119.308
where: short stacking energy: -72.320
Base-Backbone interact. energy: -0.043
local terms energy: -77.334022
where:
bonds (distance) C4'-P energy: -13.380
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -20.555
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. 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: -188.111749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.111749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.398425 (E_RNA)
where:
Base-Base interactions energy: -108.397
where: short stacking energy: -60.030
Base-Backbone interact. energy: -0.044
local terms energy: -79.957911
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -15.255
Dist. restrs. and SS energy: 0.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -180.396476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.396476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.509980 (E_RNA)
where:
Base-Base interactions energy: -111.636
where: short stacking energy: -57.931
Base-Backbone interact. energy: -0.116
local terms energy: -68.757576
where:
bonds (distance) C4'-P energy: -10.491
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -16.436
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -153.226546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.226546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.234496 (E_RNA)
where:
Base-Base interactions energy: -88.576
where: short stacking energy: -48.311
Base-Backbone interact. energy: -0.121
local terms energy: -64.537778
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -10.618
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -154.011066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.011066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.060934 (E_RNA)
where:
Base-Base interactions energy: -92.975
where: short stacking energy: -54.062
Base-Backbone interact. energy: -0.103
local terms energy: -60.983004
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -4.773
tors. eta vs tors. theta energy: -14.187
Dist. restrs. and SS energy: 0.050 (S_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: -144.134348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.134348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.136997 (E_RNA)
where:
Base-Base interactions energy: -90.259
where: short stacking energy: -46.163
Base-Backbone interact. energy: 1.259
local terms energy: -55.136694
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -8.692
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -137.643585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.643585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.800098 (E_RNA)
where:
Base-Base interactions energy: -81.605
where: short stacking energy: -34.396
Base-Backbone interact. energy: -0.275
local terms energy: -55.919667
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -17.021
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -5.550
tors. eta vs tors. theta energy: -4.231
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -149.858646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.858646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.864192 (E_RNA)
where:
Base-Base interactions energy: -84.348
where: short stacking energy: -44.669
Base-Backbone interact. energy: -0.032
local terms energy: -65.484115
where:
bonds (distance) C4'-P energy: -9.889
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -9.333
Dist. restrs. and SS energy: 0.006 (S_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: 496
Temperature: 1.300000
Total energy: -126.127802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.127802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.150730 (E_RNA)
where:
Base-Base interactions energy: -76.865
where: short stacking energy: -37.698
Base-Backbone interact. energy: -0.077
local terms energy: -49.208579
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -12.804
flat angles C4'-P-C4' energy: -10.908
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -6.712
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -117.139796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.139796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.139796 (E_RNA)
where:
Base-Base interactions energy: -68.256
where: short stacking energy: -30.584
Base-Backbone interact. energy: -0.149
local terms energy: -48.735145
where:
bonds (distance) C4'-P energy: -7.203
bonds (distance) P-C4' energy: -13.739
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -3.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -197.552387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.552387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.552387 (E_RNA)
where:
Base-Base interactions energy: -120.335
where: short stacking energy: -73.576
Base-Backbone interact. energy: 1.128
local terms energy: -78.345384
where:
bonds (distance) C4'-P energy: -17.313
bonds (distance) P-C4' energy: -10.748
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: -20.162
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -184.762161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.762161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.893100 (E_RNA)
where:
Base-Base interactions energy: -117.714
where: short stacking energy: -64.091
Base-Backbone interact. energy: -0.376
local terms energy: -66.803387
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -18.061
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -11.178
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -172.046500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.046500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.065881 (E_RNA)
where:
Base-Base interactions energy: -102.737
where: short stacking energy: -57.940
Base-Backbone interact. energy: -0.001
local terms energy: -69.327821
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -11.669
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -159.299102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.299102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.500208 (E_RNA)
where:
Base-Base interactions energy: -94.927
where: short stacking energy: -56.979
Base-Backbone interact. energy: -0.485
local terms energy: -64.087487
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -17.302
Dist. restrs. and SS energy: 0.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -160.263654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.263654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.267177 (E_RNA)
where:
Base-Base interactions energy: -86.987
where: short stacking energy: -46.296
Base-Backbone interact. energy: -0.004
local terms energy: -73.275852
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -11.946
Dist. restrs. and SS energy: 0.004 (S_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: -150.329145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.329145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.413952 (E_RNA)
where:
Base-Base interactions energy: -84.224
where: short stacking energy: -51.672
Base-Backbone interact. energy: -0.154
local terms energy: -66.036107
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -17.509
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -10.870
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -137.647534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.647534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.673403 (E_RNA)
where:
Base-Base interactions energy: -78.427
where: short stacking energy: -46.714
Base-Backbone interact. energy: -0.174
local terms energy: -59.071753
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -11.779
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -10.326
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -148.042253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.042253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.082101 (E_RNA)
where:
Base-Base interactions energy: -90.612
where: short stacking energy: -44.801
Base-Backbone interact. energy: 0.051
local terms energy: -57.520991
where:
bonds (distance) C4'-P energy: -8.376
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -11.706
Dist. restrs. and SS energy: 0.040 (S_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: 497
Temperature: 1.300000
Total energy: -120.072813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.072813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.072813 (E_RNA)
where:
Base-Base interactions energy: -74.036
where: short stacking energy: -36.848
Base-Backbone interact. energy: -0.019
local terms energy: -46.017606
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -11.435
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -2.089
tors. eta vs tors. theta energy: -3.929
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -124.125052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.125052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.125052 (E_RNA)
where:
Base-Base interactions energy: -71.079
where: short stacking energy: -41.863
Base-Backbone interact. energy: -0.699
local terms energy: -52.346920
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -5.679
tors. eta vs tors. theta energy: -5.131
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: 9
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -200.122255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.122255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.125319 (E_RNA)
where:
Base-Base interactions energy: -123.007
where: short stacking energy: -75.698
Base-Backbone interact. energy: -0.049
local terms energy: -77.069175
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -18.056
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -20.150
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. 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: -191.400792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.400792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.413029 (E_RNA)
where:
Base-Base interactions energy: -118.694
where: short stacking energy: -72.668
Base-Backbone interact. energy: -0.008
local terms energy: -72.710676
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -16.860
flat angles C4'-P-C4' energy: -19.204
flat angles P-C4'-P energy: -4.746
tors. eta vs tors. theta energy: -19.522
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -176.183031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.183031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.619995 (E_RNA)
where:
Base-Base interactions energy: -99.712
where: short stacking energy: -53.042
Base-Backbone interact. energy: -0.009
local terms energy: -76.899370
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -16.450
Dist. restrs. and SS energy: 0.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -156.481697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.481697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.743069 (E_RNA)
where:
Base-Base interactions energy: -93.857
where: short stacking energy: -45.026
Base-Backbone interact. energy: -0.211
local terms energy: -62.675234
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -15.904
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -12.452
Dist. restrs. and SS energy: 0.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -166.423594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.423594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.423594 (E_RNA)
where:
Base-Base interactions energy: -102.487
where: short stacking energy: -54.063
Base-Backbone interact. energy: -0.008
local terms energy: -63.928348
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -14.503
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -154.914036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.914036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.927929 (E_RNA)
where:
Base-Base interactions energy: -87.915
where: short stacking energy: -53.509
Base-Backbone interact. energy: -0.032
local terms energy: -66.981211
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -11.063
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -147.841154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.841154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.841231 (E_RNA)
where:
Base-Base interactions energy: -85.924
where: short stacking energy: -55.859
Base-Backbone interact. energy: 1.764
local terms energy: -63.681436
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -6.077
tors. eta vs tors. theta energy: -13.357
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: 8, replica: 5
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -128.642977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.642977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.642977 (E_RNA)
where:
Base-Base interactions energy: -81.671
where: short stacking energy: -47.620
Base-Backbone interact. energy: -0.323
local terms energy: -46.648604
where:
bonds (distance) C4'-P energy: -8.707
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -10.763
flat angles P-C4'-P energy: -6.353
tors. eta vs tors. theta energy: -2.942
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -131.015551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.015551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.015551 (E_RNA)
where:
Base-Base interactions energy: -71.670
where: short stacking energy: -30.032
Base-Backbone interact. energy: -0.224
local terms energy: -59.122179
where:
bonds (distance) C4'-P energy: -14.801
bonds (distance) P-C4' energy: -15.788
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -5.687
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -110.841347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.841347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.869528 (E_RNA)
where:
Base-Base interactions energy: -65.418
where: short stacking energy: -23.584
Base-Backbone interact. energy: -0.255
local terms energy: -45.196430
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -10.247
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -0.848
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -206.426091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.426091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.855041 (E_RNA)
where:
Base-Base interactions energy: -122.006
where: short stacking energy: -75.618
Base-Backbone interact. energy: -0.000
local terms energy: -84.848264
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -19.345
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -20.935
Dist. restrs. and SS energy: 0.429 (S_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: 499
Temperature: 0.950000
Total energy: -172.423588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.423588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.431243 (E_RNA)
where:
Base-Base interactions energy: -99.630
where: short stacking energy: -58.309
Base-Backbone interact. energy: -0.046
local terms energy: -72.755788
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -13.336
Dist. restrs. and SS energy: 0.008 (S_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: 499
Temperature: 1.000000
Total energy: -201.493704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.493704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.812357 (E_RNA)
where:
Base-Base interactions energy: -121.972
where: short stacking energy: -73.428
Base-Backbone interact. energy: -0.004
local terms energy: -79.836534
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -22.239
Dist. restrs. and SS energy: 0.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -168.133846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.133846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.133846 (E_RNA)
where:
Base-Base interactions energy: -98.357
where: short stacking energy: -51.769
Base-Backbone interact. energy: -0.030
local terms energy: -69.746501
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -12.804
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: 5, replica: 8
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -159.814693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.814693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.821098 (E_RNA)
where:
Base-Base interactions energy: -103.044
where: short stacking energy: -57.107
Base-Backbone interact. energy: -0.289
local terms energy: -56.487719
where:
bonds (distance) C4'-P energy: -10.159
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -7.063
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -182.350332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.350332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.350332 (E_RNA)
where:
Base-Base interactions energy: -108.635
where: short stacking energy: -66.058
Base-Backbone interact. energy: 2.198
local terms energy: -75.912987
where:
bonds (distance) C4'-P energy: -15.864
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -18.149
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -147.165347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.165347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.238587 (E_RNA)
where:
Base-Base interactions energy: -87.144
where: short stacking energy: -41.217
Base-Backbone interact. energy: -0.624
local terms energy: -59.471457
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -9.262
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -132.271563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.271563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.271563 (E_RNA)
where:
Base-Base interactions energy: -78.473
where: short stacking energy: -49.276
Base-Backbone interact. energy: -0.692
local terms energy: -53.106562
where:
bonds (distance) C4'-P energy: -6.699
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -9.437
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: 4
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -133.554548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.554548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.556060 (E_RNA)
where:
Base-Base interactions energy: -87.269
where: short stacking energy: -50.315
Base-Backbone interact. energy: -0.171
local terms energy: -46.116216
where:
bonds (distance) C4'-P energy: -7.648
bonds (distance) P-C4' energy: -11.250
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -6.180
tors. eta vs tors. theta energy: -8.762
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -112.589754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.589754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.589754 (E_RNA)
where:
Base-Base interactions energy: -58.195
where: short stacking energy: -32.641
Base-Backbone interact. energy: -0.641
local terms energy: -53.753131
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -17.641
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: 0.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -196.573005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.573005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.606689 (E_RNA)
where:
Base-Base interactions energy: -123.342
where: short stacking energy: -76.849
Base-Backbone interact. energy: -0.219
local terms energy: -73.045686
where:
bonds (distance) C4'-P energy: -16.561
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -5.530
tors. eta vs tors. theta energy: -19.848
Dist. restrs. and SS energy: 0.034 (S_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: 500
Temperature: 0.950000
Total energy: -168.408884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.408884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.668283 (E_RNA)
where:
Base-Base interactions energy: -97.694
where: short stacking energy: -57.723
Base-Backbone interact. energy: -0.032
local terms energy: -70.942763
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -15.111
Dist. restrs. and SS energy: 0.259 (S_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: 500
Temperature: 1.000000
Total energy: -199.798448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.798448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.824646 (E_RNA)
where:
Base-Base interactions energy: -122.437
where: short stacking energy: -68.436
Base-Backbone interact. energy: -0.028
local terms energy: -77.359675
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -10.643
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -21.185
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -164.023180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.023180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.023180 (E_RNA)
where:
Base-Base interactions energy: -94.560
where: short stacking energy: -52.476
Base-Backbone interact. energy: -0.546
local terms energy: -68.917510
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -11.905
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -173.434964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.434964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.676203 (E_RNA)
where:
Base-Base interactions energy: -103.563
where: short stacking energy: -54.639
Base-Backbone interact. energy: -0.007
local terms energy: -70.106026
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -12.348
Dist. restrs. and SS energy: 0.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -163.119257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.119257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.119257 (E_RNA)
where:
Base-Base interactions energy: -97.043
where: short stacking energy: -52.045
Base-Backbone interact. energy: -0.577
local terms energy: -65.499287
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -15.066
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -155.222890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.222890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.225225 (E_RNA)
where:
Base-Base interactions energy: -88.008
where: short stacking energy: -50.784
Base-Backbone interact. energy: -0.014
local terms energy: -67.203681
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -4.704
tors. eta vs tors. theta energy: -13.634
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -151.292594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.292594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.405647 (E_RNA)
where:
Base-Base interactions energy: -92.727
where: short stacking energy: -48.565
Base-Backbone interact. energy: -0.012
local terms energy: -58.667146
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -5.268
tors. eta vs tors. theta energy: -11.137
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. 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: -129.041105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.041105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.338020 (E_RNA)
where:
Base-Base interactions energy: -72.327
where: short stacking energy: -41.918
Base-Backbone interact. energy: -0.550
local terms energy: -56.460902
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -9.910
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -4.386
tors. eta vs tors. theta energy: -12.524
Dist. restrs. and SS energy: 0.297 (S_DIST_RNA)
chem. 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: -107.511238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.511238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.562261 (E_RNA)
where:
Base-Base interactions energy: -56.160
where: short stacking energy: -32.594
Base-Backbone interact. energy: -0.403
local terms energy: -50.999739
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: 1.018
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -192.086939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.086939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.115011 (E_RNA)
where:
Base-Base interactions energy: -116.353
where: short stacking energy: -64.228
Base-Backbone interact. energy: -0.006
local terms energy: -75.756037
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -17.492
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. 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: -197.004303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.004303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.004303 (E_RNA)
where:
Base-Base interactions energy: -115.443
where: short stacking energy: -74.941
Base-Backbone interact. energy: -0.029
local terms energy: -81.532117
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -21.287
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -173.326147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.326147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.657677 (E_RNA)
where:
Base-Base interactions energy: -111.540
where: short stacking energy: -61.618
Base-Backbone interact. energy: -0.001
local terms energy: -62.117481
where:
bonds (distance) C4'-P energy: -14.490
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -8.704
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -15.010
Dist. restrs. and SS energy: 0.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -170.544636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.544636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.613292 (E_RNA)
where:
Base-Base interactions energy: -104.826
where: short stacking energy: -57.279
Base-Backbone interact. energy: -0.054
local terms energy: -65.733301
where:
bonds (distance) C4'-P energy: -11.890
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -13.857
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -146.241447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.241447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.252153 (E_RNA)
where:
Base-Base interactions energy: -85.568
where: short stacking energy: -56.335
Base-Backbone interact. energy: -0.120
local terms energy: -60.563824
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -11.038
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -12.262
Dist. restrs. and SS energy: 0.011 (S_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: -156.533016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.533016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.556440 (E_RNA)
where:
Base-Base interactions energy: -89.427
where: short stacking energy: -48.005
Base-Backbone interact. energy: -0.249
local terms energy: -66.880835
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -12.730
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -143.544673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.544673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.658415 (E_RNA)
where:
Base-Base interactions energy: -84.358
where: short stacking energy: -43.868
Base-Backbone interact. energy: 0.085
local terms energy: -59.385370
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -12.221
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -10.069
Dist. restrs. and SS energy: 0.114 (S_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: 501
Temperature: 1.250000
Total energy: -125.715203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.715203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.764074 (E_RNA)
where:
Base-Base interactions energy: -72.734
where: short stacking energy: -41.874
Base-Backbone interact. energy: -0.111
local terms energy: -52.919238
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -5.203
tors. eta vs tors. theta energy: -7.656
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -125.803833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.803833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.886504 (E_RNA)
where:
Base-Base interactions energy: -61.873
where: short stacking energy: -37.259
Base-Backbone interact. energy: -0.168
local terms energy: -63.845820
where:
bonds (distance) C4'-P energy: -16.816
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -6.336
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. 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: -130.916919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.916919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.290026 (E_RNA)
where:
Base-Base interactions energy: -75.309
where: short stacking energy: -36.462
Base-Backbone interact. energy: -0.072
local terms energy: -55.908651
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -16.912
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -4.645
Dist. restrs. and SS energy: 0.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 9 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 19428802
moves confirmed later: 23318134
all moves confirmed: 42746936
percent of confirmed moves: 5.343367
current total energy: -179.487223
recalc. total energy: -179.487223
replica 7 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 20304521
moves confirmed later: 24693028
all moves confirmed: 44997549
percent of confirmed moves: 5.624694
current total energy: -137.890326
recalc. total energy: -137.890326
replica 1 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 19548005
moves confirmed later: 23544235
all moves confirmed: 43092240
percent of confirmed moves: 5.386530
current total energy: -152.435003
recalc. total energy: -152.435003
replica 6 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 18951788
moves confirmed later: 22674332
all moves confirmed: 41626120
percent of confirmed moves: 5.203265
current total energy: -119.060055
recalc. total energy: -119.060055
replica 3 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 19725264
moves confirmed later: 23829479
all moves confirmed: 43554743
percent of confirmed moves: 5.444343
current total energy: -119.034025
recalc. total energy: -119.034025
replica 10 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 19852021
moves confirmed later: 23963458
all moves confirmed: 43815479
percent of confirmed moves: 5.476935
current total energy: -90.003944
recalc. total energy: -90.003944
replica 8 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 19533103
moves confirmed later: 23536644
all moves confirmed: 43069747
percent of confirmed moves: 5.383718
current total energy: -115.842283
recalc. total energy: -115.842283
replica 2 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 19169364
moves confirmed later: 22955268
all moves confirmed: 42124632
percent of confirmed moves: 5.265579
current total energy: -57.916153
recalc. total energy: -57.916153
replica 4 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 19089822
moves confirmed later: 22848589
all moves confirmed: 41938411
percent of confirmed moves: 5.242301
current total energy: -93.308650
recalc. total energy: -93.308650
replica 5 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 19195106
moves confirmed later: 22993002
all moves confirmed: 42188108
percent of confirmed moves: 5.273513
current total energy: -69.263983
recalc. total energy: -69.263983
out arg RESULTS//1/vl30-22mer-ef756562_01
Time of doing 8000000 iterations: 1481.971 seconds