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/aptamer_test3-6ce33921/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aptamer_test3-6ce33921/inputs/seq.fa: 1
curr_seq: _CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG
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 33 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: 170
n_atoms_counter: 170
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((..........)))))............._
chain: 1: _........(.(..................)..)_
nucl1: 4, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 3, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 2, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 17
nucl1: 1, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 0, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 10, chain1: 0, <---> nucl2: 29, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 29
nucl1: 8, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 32
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 33.000000 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/aptamer_test3-6ce33921/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aptamer_test3-6ce33921/inputs/seq.fa: 1
curr_seq: _CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG
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 33 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: 170
n_atoms_counter: 170
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((..........)))))............._
chain: 1: _........(.(..................)..)_
nucl1: 4, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 3, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 2, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 17
nucl1: 1, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 0, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 10, chain1: 0, <---> nucl2: 29, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 29
nucl1: 8, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 32
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 33.000000 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/aptamer_test3-6ce33921/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aptamer_test3-6ce33921/inputs/seq.fa: 1
curr_seq: _CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG
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 33 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: 170
n_atoms_counter: 170
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((..........)))))............._
chain: 1: _........(.(..................)..)_
nucl1: 4, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 3, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 2, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 17
nucl1: 1, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 0, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 10, chain1: 0, <---> nucl2: 29, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 29
nucl1: 8, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 32
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 33.000000 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/aptamer_test3-6ce33921/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aptamer_test3-6ce33921/inputs/seq.fa: 1
curr_seq: _CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG
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 33 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: 170
n_atoms_counter: 170
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((..........)))))............._
chain: 1: _........(.(..................)..)_
nucl1: 4, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 3, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 2, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 17
nucl1: 1, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 0, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 10, chain1: 0, <---> nucl2: 29, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 29
nucl1: 8, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 32
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 33.000000 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/aptamer_test3-6ce33921/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aptamer_test3-6ce33921/inputs/seq.fa: 1
curr_seq: _CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG
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 33 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: 170
n_atoms_counter: 170
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((..........)))))............._
chain: 1: _........(.(..................)..)_
nucl1: 4, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 3, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 2, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 17
nucl1: 1, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 0, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 10, chain1: 0, <---> nucl2: 29, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 29
nucl1: 8, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 32
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 33.000000 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/aptamer_test3-6ce33921/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aptamer_test3-6ce33921/inputs/seq.fa: 1
curr_seq: _CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG
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 33 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: 170
n_atoms_counter: 170
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((..........)))))............._
chain: 1: _........(.(..................)..)_
nucl1: 4, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 3, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 2, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 17
nucl1: 1, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 0, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 10, chain1: 0, <---> nucl2: 29, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 29
nucl1: 8, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 32
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 33.000000 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/aptamer_test3-6ce33921/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aptamer_test3-6ce33921/inputs/seq.fa: 1
curr_seq: _CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG
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 33 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: 170
n_atoms_counter: 170
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((..........)))))............._
chain: 1: _........(.(..................)..)_
nucl1: 4, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 3, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 2, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 17
nucl1: 1, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 0, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 10, chain1: 0, <---> nucl2: 29, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 29
nucl1: 8, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 32
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 33.000000 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/aptamer_test3-6ce33921/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aptamer_test3-6ce33921/inputs/seq.fa: 1
curr_seq: _CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG
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 33 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: 170
n_atoms_counter: 170
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((..........)))))............._
chain: 1: _........(.(..................)..)_
nucl1: 4, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 3, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 2, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 17
nucl1: 1, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 0, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 10, chain1: 0, <---> nucl2: 29, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 29
nucl1: 8, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 32
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 33.000000 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/aptamer_test3-6ce33921/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aptamer_test3-6ce33921/inputs/seq.fa: 1
curr_seq: _CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG
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 33 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: 170
n_atoms_counter: 170
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((..........)))))............._
chain: 1: _........(.(..................)..)_
nucl1: 4, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 3, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 2, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 17
nucl1: 1, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 0, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 10, chain1: 0, <---> nucl2: 29, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 29
nucl1: 8, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 32
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 33.000000 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/aptamer_test3-6ce33921/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/aptamer_test3-6ce33921/inputs/seq.fa: 1
curr_seq: _CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG
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 33 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: 170
n_atoms_counter: 170
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((..........)))))............._
chain: 1: _........(.(..................)..)_
nucl1: 4, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 3, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 2, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 17
nucl1: 1, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 0, chain1: 0, <---> nucl2: 19, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 19
nucl1: 10, chain1: 0, <---> nucl2: 29, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 29
nucl1: 8, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 32
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 33.000000 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: 159.244125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 159.244125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.526730 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -122.490911
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 283.771 (S_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: 159.244125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 159.244125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.526730 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -122.490911
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 283.771 (S_DIST_RNA)
chem. 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: 159.244125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 159.244125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.526730 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -122.490911
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 283.771 (S_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: 159.244125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 159.244125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.526730 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -122.490911
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 283.771 (S_DIST_RNA)
chem. 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: 159.244125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 159.244125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.526730 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -122.490911
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 283.771 (S_DIST_RNA)
chem. 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: 159.244125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 159.244125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.526730 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -122.490911
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 283.771 (S_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: 159.244125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 159.244125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.526730 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -122.490911
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 283.771 (S_DIST_RNA)
chem. 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: 159.244125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 159.244125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.526730 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -122.490911
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 283.771 (S_DIST_RNA)
chem. 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: 159.244125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 159.244125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.526730 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -122.490911
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 283.771 (S_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: 159.244125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 159.244125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.526730 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -122.490911
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 283.771 (S_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: -242.250533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.250533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.865635 (E_RNA)
where:
Base-Base interactions energy: -163.753
where: short stacking energy: -61.347
Base-Backbone interact. energy: -2.258
local terms energy: -85.854773
where:
bonds (distance) C4'-P energy: -22.877
bonds (distance) P-C4' energy: -23.995
flat angles C4'-P-C4' energy: -18.620
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -6.827
Dist. restrs. and SS energy: 9.615 (S_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: -283.956527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.956527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.395185 (E_RNA)
where:
Base-Base interactions energy: -195.006
where: short stacking energy: -81.072
Base-Backbone interact. energy: -0.578
local terms energy: -93.810334
where:
bonds (distance) C4'-P energy: -19.612
bonds (distance) P-C4' energy: -17.894
flat angles C4'-P-C4' energy: -22.868
flat angles P-C4'-P energy: -13.377
tors. eta vs tors. theta energy: -20.060
Dist. restrs. and SS energy: 5.439 (S_DIST_RNA)
chem. 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: -271.194226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.194226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.577011 (E_RNA)
where:
Base-Base interactions energy: -181.155
where: short stacking energy: -73.673
Base-Backbone interact. energy: -0.748
local terms energy: -89.673622
where:
bonds (distance) C4'-P energy: -22.184
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -19.428
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -16.340
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -231.003803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.003803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.423674 (E_RNA)
where:
Base-Base interactions energy: -150.726
where: short stacking energy: -64.268
Base-Backbone interact. energy: 0.589
local terms energy: -93.286142
where:
bonds (distance) C4'-P energy: -23.001
bonds (distance) P-C4' energy: -23.222
flat angles C4'-P-C4' energy: -19.580
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -16.503
Dist. restrs. and SS energy: 12.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -224.981912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.981912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.794703 (E_RNA)
where:
Base-Base interactions energy: -147.799
where: short stacking energy: -53.279
Base-Backbone interact. energy: -0.251
local terms energy: -77.743946
where:
bonds (distance) C4'-P energy: -21.639
bonds (distance) P-C4' energy: -20.794
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -14.101
tors. eta vs tors. theta energy: -3.610
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: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -234.252532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.252532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.219274 (E_RNA)
where:
Base-Base interactions energy: -148.885
where: short stacking energy: -56.972
Base-Backbone interact. energy: -0.718
local terms energy: -87.616695
where:
bonds (distance) C4'-P energy: -23.519
bonds (distance) P-C4' energy: -24.345
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -10.703
Dist. restrs. and SS energy: 2.967 (S_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: -238.026548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.026548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.185355 (E_RNA)
where:
Base-Base interactions energy: -151.345
where: short stacking energy: -72.284
Base-Backbone interact. energy: -0.468
local terms energy: -90.372341
where:
bonds (distance) C4'-P energy: -23.000
bonds (distance) P-C4' energy: -23.817
flat angles C4'-P-C4' energy: -20.331
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -12.691
Dist. restrs. and SS energy: 4.159 (S_DIST_RNA)
chem. 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: -212.556069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.556069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.131388 (E_RNA)
where:
Base-Base interactions energy: -135.239
where: short stacking energy: -48.638
Base-Backbone interact. energy: -0.501
local terms energy: -79.391565
where:
bonds (distance) C4'-P energy: -21.158
bonds (distance) P-C4' energy: -23.376
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -5.091
Dist. restrs. and SS energy: 2.575 (S_DIST_RNA)
chem. 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: -114.620012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.620012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.426303 (E_RNA)
where:
Base-Base interactions energy: -55.272
where: short stacking energy: -25.259
Base-Backbone interact. energy: -0.832
local terms energy: -66.322600
where:
bonds (distance) C4'-P energy: -23.204
bonds (distance) P-C4' energy: -19.960
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: 1.322
Dist. restrs. and SS energy: 7.806 (S_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: -210.727795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.727795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.318916 (E_RNA)
where:
Base-Base interactions energy: -141.235
where: short stacking energy: -58.998
Base-Backbone interact. energy: 0.539
local terms energy: -73.623469
where:
bonds (distance) C4'-P energy: -15.724
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -22.033
flat angles P-C4'-P energy: -3.978
tors. eta vs tors. theta energy: -13.692
Dist. restrs. and SS energy: 3.591 (S_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: -233.684130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.684130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.822622 (E_RNA)
where:
Base-Base interactions energy: -155.212
where: short stacking energy: -52.404
Base-Backbone interact. energy: -0.989
local terms energy: -84.621693
where:
bonds (distance) C4'-P energy: -23.049
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -11.421
tors. eta vs tors. theta energy: -12.854
Dist. restrs. and SS energy: 7.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -322.916027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.916027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.702385 (E_RNA)
where:
Base-Base interactions energy: -218.377
where: short stacking energy: -95.744
Base-Backbone interact. energy: -0.485
local terms energy: -105.839722
where:
bonds (distance) C4'-P energy: -21.167
bonds (distance) P-C4' energy: -21.794
flat angles C4'-P-C4' energy: -24.862
flat angles P-C4'-P energy: -16.783
tors. eta vs tors. theta energy: -21.234
Dist. restrs. and SS energy: 1.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -308.570772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.570772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.726589 (E_RNA)
where:
Base-Base interactions energy: -222.366
where: short stacking energy: -86.087
Base-Backbone interact. energy: -1.420
local terms energy: -87.940437
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -18.589
flat angles P-C4'-P energy: -16.164
tors. eta vs tors. theta energy: -17.157
Dist. restrs. and SS energy: 3.156 (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: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -300.842290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.842290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.865157 (E_RNA)
where:
Base-Base interactions energy: -199.491
where: short stacking energy: -82.303
Base-Backbone interact. energy: -1.441
local terms energy: -99.933243
where:
bonds (distance) C4'-P energy: -18.467
bonds (distance) P-C4' energy: -22.725
flat angles C4'-P-C4' energy: -21.885
flat angles P-C4'-P energy: -19.793
tors. eta vs tors. theta energy: -17.063
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: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -245.936713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.936713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.486395 (E_RNA)
where:
Base-Base interactions energy: -155.568
where: short stacking energy: -61.338
Base-Backbone interact. energy: -0.559
local terms energy: -92.359131
where:
bonds (distance) C4'-P energy: -22.641
bonds (distance) P-C4' energy: -24.413
flat angles C4'-P-C4' energy: -21.640
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -11.488
Dist. restrs. and SS energy: 2.550 (S_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: -238.131014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.131014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.107674 (E_RNA)
where:
Base-Base interactions energy: -156.075
where: short stacking energy: -68.345
Base-Backbone interact. energy: -0.416
local terms energy: -84.617621
where:
bonds (distance) C4'-P energy: -19.289
bonds (distance) P-C4' energy: -24.270
flat angles C4'-P-C4' energy: -18.583
flat angles P-C4'-P energy: -14.934
tors. eta vs tors. theta energy: -7.542
Dist. restrs. and SS energy: 2.977 (S_DIST_RNA)
chem. 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: -272.339750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.339750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.293243 (E_RNA)
where:
Base-Base interactions energy: -184.505
where: short stacking energy: -73.803
Base-Backbone interact. energy: -0.936
local terms energy: -90.853062
where:
bonds (distance) C4'-P energy: -11.447
bonds (distance) P-C4' energy: -23.465
flat angles C4'-P-C4' energy: -23.128
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -20.191
Dist. restrs. and SS energy: 3.953 (S_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: -148.650316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.650316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.729212 (E_RNA)
where:
Base-Base interactions energy: -93.293
where: short stacking energy: -42.843
Base-Backbone interact. energy: 1.206
local terms energy: -63.642610
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -22.730
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -4.258
tors. eta vs tors. theta energy: -1.690
Dist. restrs. and SS energy: 7.079 (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: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -198.306666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.306666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.095091 (E_RNA)
where:
Base-Base interactions energy: -134.157
where: short stacking energy: -50.500
Base-Backbone interact. energy: -0.026
local terms energy: -64.912358
where:
bonds (distance) C4'-P energy: -19.957
bonds (distance) P-C4' energy: -18.974
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -4.503
Dist. restrs. and SS energy: 0.788 (S_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: -216.677139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.677139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.116052 (E_RNA)
where:
Base-Base interactions energy: -152.442
where: short stacking energy: -61.648
Base-Backbone interact. energy: 0.335
local terms energy: -73.009020
where:
bonds (distance) C4'-P energy: -19.533
bonds (distance) P-C4' energy: -22.150
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -6.974
Dist. restrs. and SS energy: 8.439 (S_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: 4
Temperature: 0.900000
Total energy: -338.675139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.675139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.634351 (E_RNA)
where:
Base-Base interactions energy: -227.083
where: short stacking energy: -105.579
Base-Backbone interact. energy: -0.392
local terms energy: -112.159059
where:
bonds (distance) C4'-P energy: -23.772
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -26.371
flat angles P-C4'-P energy: -16.619
tors. eta vs tors. theta energy: -27.070
Dist. restrs. and SS energy: 0.959 (S_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: -216.761781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.761781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.378598 (E_RNA)
where:
Base-Base interactions energy: -139.751
where: short stacking energy: -57.298
Base-Backbone interact. energy: -0.715
local terms energy: -82.912578
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -26.547
flat angles C4'-P-C4' energy: -24.178
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: -12.257
Dist. restrs. and SS energy: 6.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -311.355142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.355142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.068806 (E_RNA)
where:
Base-Base interactions energy: -219.905
where: short stacking energy: -82.008
Base-Backbone interact. energy: -1.408
local terms energy: -93.755921
where:
bonds (distance) C4'-P energy: -23.918
bonds (distance) P-C4' energy: -21.440
flat angles C4'-P-C4' energy: -20.195
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -18.280
Dist. restrs. and SS energy: 3.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -291.939518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.939518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.119548 (E_RNA)
where:
Base-Base interactions energy: -200.862
where: short stacking energy: -72.358
Base-Backbone interact. energy: 0.270
local terms energy: -91.527872
where:
bonds (distance) C4'-P energy: -19.597
bonds (distance) P-C4' energy: -24.909
flat angles C4'-P-C4' energy: -22.741
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -13.464
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: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -273.722288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.722288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.452600 (E_RNA)
where:
Base-Base interactions energy: -174.655
where: short stacking energy: -73.778
Base-Backbone interact. energy: -0.555
local terms energy: -100.242688
where:
bonds (distance) C4'-P energy: -23.468
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -24.085
flat angles P-C4'-P energy: -14.373
tors. eta vs tors. theta energy: -18.979
Dist. restrs. and SS energy: 1.730 (S_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: -243.405083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.405083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.575562 (E_RNA)
where:
Base-Base interactions energy: -162.174
where: short stacking energy: -60.708
Base-Backbone interact. energy: -0.340
local terms energy: -81.062441
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -19.956
flat angles C4'-P-C4' energy: -21.568
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -9.842
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: 7, replica: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -277.201732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.201732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.179275 (E_RNA)
where:
Base-Base interactions energy: -194.883
where: short stacking energy: -76.074
Base-Backbone interact. energy: -1.193
local terms energy: -83.103004
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -19.611
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -16.303
Dist. restrs. and SS energy: 1.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -206.892814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.892814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.330862 (E_RNA)
where:
Base-Base interactions energy: -124.264
where: short stacking energy: -53.705
Base-Backbone interact. energy: -1.337
local terms energy: -90.729259
where:
bonds (distance) C4'-P energy: -19.687
bonds (distance) P-C4' energy: -25.160
flat angles C4'-P-C4' energy: -23.546
flat angles P-C4'-P energy: -13.811
tors. eta vs tors. theta energy: -8.525
Dist. restrs. and SS energy: 9.438 (S_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: -243.405184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.405184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.371180 (E_RNA)
where:
Base-Base interactions energy: -157.936
where: short stacking energy: -63.965
Base-Backbone interact. energy: -0.534
local terms energy: -88.901689
where:
bonds (distance) C4'-P energy: -20.367
bonds (distance) P-C4' energy: -20.296
flat angles C4'-P-C4' energy: -22.455
flat angles P-C4'-P energy: -14.212
tors. eta vs tors. theta energy: -11.572
Dist. restrs. and SS energy: 3.966 (S_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: -222.203426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.203426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.973481 (E_RNA)
where:
Base-Base interactions energy: -136.839
where: short stacking energy: -60.128
Base-Backbone interact. energy: -0.862
local terms energy: -92.273063
where:
bonds (distance) C4'-P energy: -22.308
bonds (distance) P-C4' energy: -22.302
flat angles C4'-P-C4' energy: -19.892
flat angles P-C4'-P energy: -18.576
tors. eta vs tors. theta energy: -9.195
Dist. restrs. and SS energy: 7.770 (S_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: 5
Temperature: 0.900000
Total energy: -347.782710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.782710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.832688 (E_RNA)
where:
Base-Base interactions energy: -239.658
where: short stacking energy: -96.956
Base-Backbone interact. energy: -0.223
local terms energy: -108.952476
where:
bonds (distance) C4'-P energy: -24.412
bonds (distance) P-C4' energy: -21.279
flat angles C4'-P-C4' energy: -25.478
flat angles P-C4'-P energy: -16.029
tors. eta vs tors. theta energy: -21.755
Dist. restrs. and SS energy: 1.050 (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: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -321.657199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.657199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.356543 (E_RNA)
where:
Base-Base interactions energy: -215.053
where: short stacking energy: -76.601
Base-Backbone interact. energy: -1.111
local terms energy: -106.192181
where:
bonds (distance) C4'-P energy: -19.150
bonds (distance) P-C4' energy: -24.259
flat angles C4'-P-C4' energy: -25.819
flat angles P-C4'-P energy: -17.250
tors. eta vs tors. theta energy: -19.714
Dist. restrs. and SS energy: 0.699 (S_DIST_RNA)
chem. 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: -257.908869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.908869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.635874 (E_RNA)
where:
Base-Base interactions energy: -176.829
where: short stacking energy: -76.776
Base-Backbone interact. energy: 0.261
local terms energy: -87.068352
where:
bonds (distance) C4'-P energy: -16.895
bonds (distance) P-C4' energy: -18.765
flat angles C4'-P-C4' energy: -21.922
flat angles P-C4'-P energy: -14.320
tors. eta vs tors. theta energy: -15.166
Dist. restrs. and SS energy: 5.727 (S_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: -274.440090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.440090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.225725 (E_RNA)
where:
Base-Base interactions energy: -188.729
where: short stacking energy: -70.216
Base-Backbone interact. energy: -1.455
local terms energy: -86.041973
where:
bonds (distance) C4'-P energy: -22.103
bonds (distance) P-C4' energy: -17.067
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -17.398
Dist. restrs. and SS energy: 1.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -285.477654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.477654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.477821 (E_RNA)
where:
Base-Base interactions energy: -189.055
where: short stacking energy: -76.152
Base-Backbone interact. energy: -0.669
local terms energy: -95.753208
where:
bonds (distance) C4'-P energy: -21.974
bonds (distance) P-C4' energy: -22.128
flat angles C4'-P-C4' energy: -22.778
flat angles P-C4'-P energy: -16.785
tors. eta vs tors. theta energy: -12.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -303.751121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.751121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.615973 (E_RNA)
where:
Base-Base interactions energy: -208.455
where: short stacking energy: -91.212
Base-Backbone interact. energy: -1.568
local terms energy: -94.593195
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -19.043
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -18.928
tors. eta vs tors. theta energy: -26.428
Dist. restrs. and SS energy: 0.865 (S_DIST_RNA)
chem. 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: -225.713613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.713613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.821550 (E_RNA)
where:
Base-Base interactions energy: -145.267
where: short stacking energy: -50.028
Base-Backbone interact. energy: -0.666
local terms energy: -79.888056
where:
bonds (distance) C4'-P energy: -22.184
bonds (distance) P-C4' energy: -19.143
flat angles C4'-P-C4' energy: -23.081
flat angles P-C4'-P energy: -14.365
tors. eta vs tors. theta energy: -1.115
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: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -248.508233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.508233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.659680 (E_RNA)
where:
Base-Base interactions energy: -167.950
where: short stacking energy: -71.832
Base-Backbone interact. energy: -0.096
local terms energy: -86.614134
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -22.859
flat angles C4'-P-C4' energy: -22.296
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -12.183
Dist. restrs. and SS energy: 6.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -207.689511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.689511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.008189 (E_RNA)
where:
Base-Base interactions energy: -132.587
where: short stacking energy: -59.780
Base-Backbone interact. energy: -1.294
local terms energy: -76.127122
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -17.923
flat angles C4'-P-C4' energy: -20.576
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -9.355
Dist. restrs. and SS energy: 2.319 (S_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: -215.590264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.590264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.519084 (E_RNA)
where:
Base-Base interactions energy: -141.228
where: short stacking energy: -47.941
Base-Backbone interact. energy: -0.304
local terms energy: -78.986559
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -21.314
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -17.791
tors. eta vs tors. theta energy: -8.094
Dist. restrs. and SS energy: 4.929 (S_DIST_RNA)
chem. 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: -345.275629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.275629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.857467 (E_RNA)
where:
Base-Base interactions energy: -229.789
where: short stacking energy: -102.228
Base-Backbone interact. energy: -0.406
local terms energy: -116.661864
where:
bonds (distance) C4'-P energy: -18.088
bonds (distance) P-C4' energy: -26.541
flat angles C4'-P-C4' energy: -25.112
flat angles P-C4'-P energy: -19.266
tors. eta vs tors. theta energy: -27.655
Dist. restrs. and SS energy: 1.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -337.586335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.586335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.161607 (E_RNA)
where:
Base-Base interactions energy: -226.652
where: short stacking energy: -97.976
Base-Backbone interact. energy: -0.559
local terms energy: -111.950321
where:
bonds (distance) C4'-P energy: -22.493
bonds (distance) P-C4' energy: -24.366
flat angles C4'-P-C4' energy: -25.890
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -26.666
Dist. restrs. and SS energy: 1.575 (S_DIST_RNA)
chem. 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: -304.390069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.390069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.514347 (E_RNA)
where:
Base-Base interactions energy: -207.352
where: short stacking energy: -75.628
Base-Backbone interact. energy: -0.676
local terms energy: -96.485720
where:
bonds (distance) C4'-P energy: -24.068
bonds (distance) P-C4' energy: -20.570
flat angles C4'-P-C4' energy: -23.929
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -17.322
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: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -253.888993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.888993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.894447 (E_RNA)
where:
Base-Base interactions energy: -164.170
where: short stacking energy: -69.306
Base-Backbone interact. energy: -1.182
local terms energy: -91.542465
where:
bonds (distance) C4'-P energy: -20.344
bonds (distance) P-C4' energy: -21.644
flat angles C4'-P-C4' energy: -23.623
flat angles P-C4'-P energy: -15.491
tors. eta vs tors. theta energy: -10.440
Dist. restrs. and SS energy: 3.005 (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: 6
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -311.008869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.008869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.507706 (E_RNA)
where:
Base-Base interactions energy: -210.680
where: short stacking energy: -90.604
Base-Backbone interact. energy: 0.493
local terms energy: -102.320510
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -23.675
flat angles C4'-P-C4' energy: -19.162
flat angles P-C4'-P energy: -20.956
tors. eta vs tors. theta energy: -23.169
Dist. restrs. and SS energy: 1.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -264.766050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.766050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.045947 (E_RNA)
where:
Base-Base interactions energy: -172.911
where: short stacking energy: -67.499
Base-Backbone interact. energy: 2.071
local terms energy: -95.206197
where:
bonds (distance) C4'-P energy: -22.280
bonds (distance) P-C4' energy: -20.807
flat angles C4'-P-C4' energy: -18.577
flat angles P-C4'-P energy: -15.715
tors. eta vs tors. theta energy: -17.827
Dist. restrs. and SS energy: 1.280 (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: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -276.335905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.335905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.652099 (E_RNA)
where:
Base-Base interactions energy: -191.239
where: short stacking energy: -75.596
Base-Backbone interact. energy: -0.186
local terms energy: -86.227240
where:
bonds (distance) C4'-P energy: -20.356
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -19.856
Dist. restrs. and SS energy: 1.316 (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: 5
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -240.561361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.561361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.300747 (E_RNA)
where:
Base-Base interactions energy: -161.279
where: short stacking energy: -64.636
Base-Backbone interact. energy: -1.616
local terms energy: -78.406403
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -21.423
flat angles C4'-P-C4' energy: -18.452
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -8.009
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: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -199.728537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.728537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.100317 (E_RNA)
where:
Base-Base interactions energy: -129.609
where: short stacking energy: -49.341
Base-Backbone interact. energy: -0.099
local terms energy: -72.392158
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -19.349
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: -9.398
Dist. restrs. and SS energy: 2.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -201.984522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.984522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.267775 (E_RNA)
where:
Base-Base interactions energy: -133.853
where: short stacking energy: -48.324
Base-Backbone interact. energy: 0.366
local terms energy: -74.781154
where:
bonds (distance) C4'-P energy: -17.275
bonds (distance) P-C4' energy: -20.142
flat angles C4'-P-C4' energy: -22.078
flat angles P-C4'-P energy: -16.510
tors. eta vs tors. theta energy: 1.224
Dist. restrs. and SS energy: 6.283 (S_DIST_RNA)
chem. 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: -341.183326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.183326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.943718 (E_RNA)
where:
Base-Base interactions energy: -232.592
where: short stacking energy: -86.178
Base-Backbone interact. energy: -0.264
local terms energy: -109.088288
where:
bonds (distance) C4'-P energy: -23.067
bonds (distance) P-C4' energy: -21.745
flat angles C4'-P-C4' energy: -23.941
flat angles P-C4'-P energy: -18.330
tors. eta vs tors. theta energy: -22.006
Dist. restrs. and SS energy: 0.760 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -319.679878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.679878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.256852 (E_RNA)
where:
Base-Base interactions energy: -221.947
where: short stacking energy: -86.412
Base-Backbone interact. energy: -0.414
local terms energy: -98.895342
where:
bonds (distance) C4'-P energy: -24.994
bonds (distance) P-C4' energy: -20.032
flat angles C4'-P-C4' energy: -18.382
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -22.701
Dist. restrs. and SS energy: 1.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -296.672652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.672652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.147147 (E_RNA)
where:
Base-Base interactions energy: -198.296
where: short stacking energy: -66.585
Base-Backbone interact. energy: -0.316
local terms energy: -99.534849
where:
bonds (distance) C4'-P energy: -23.830
bonds (distance) P-C4' energy: -22.396
flat angles C4'-P-C4' energy: -23.570
flat angles P-C4'-P energy: -16.833
tors. eta vs tors. theta energy: -12.906
Dist. restrs. and SS energy: 1.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -325.064326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.064326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.808461 (E_RNA)
where:
Base-Base interactions energy: -219.080
where: short stacking energy: -90.522
Base-Backbone interact. energy: -0.573
local terms energy: -107.154996
where:
bonds (distance) C4'-P energy: -18.833
bonds (distance) P-C4' energy: -24.640
flat angles C4'-P-C4' energy: -24.746
flat angles P-C4'-P energy: -18.521
tors. eta vs tors. theta energy: -20.414
Dist. restrs. and SS energy: 1.744 (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: 1
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -240.116929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.116929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.739690 (E_RNA)
where:
Base-Base interactions energy: -154.943
where: short stacking energy: -57.150
Base-Backbone interact. energy: -0.087
local terms energy: -86.709947
where:
bonds (distance) C4'-P energy: -19.395
bonds (distance) P-C4' energy: -22.229
flat angles C4'-P-C4' energy: -18.150
flat angles P-C4'-P energy: -16.480
tors. eta vs tors. theta energy: -10.456
Dist. restrs. and SS energy: 1.623 (S_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: 7
Temperature: 1.150000
Total energy: -283.915238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.915238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.599772 (E_RNA)
where:
Base-Base interactions energy: -208.886
where: short stacking energy: -88.725
Base-Backbone interact. energy: 0.268
local terms energy: -79.981972
where:
bonds (distance) C4'-P energy: -19.795
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -18.538
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -17.912
Dist. restrs. and SS energy: 4.685 (S_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: 7
Temperature: 1.200000
Total energy: -272.092293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.092293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.395206 (E_RNA)
where:
Base-Base interactions energy: -175.363
where: short stacking energy: -66.765
Base-Backbone interact. energy: 0.974
local terms energy: -100.005405
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -22.359
flat angles C4'-P-C4' energy: -23.118
flat angles P-C4'-P energy: -17.249
tors. eta vs tors. theta energy: -20.172
Dist. restrs. and SS energy: 2.303 (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: 7
Temperature: 1.250000
Total energy: -233.259310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.259310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.265578 (E_RNA)
where:
Base-Base interactions energy: -157.815
where: short stacking energy: -64.211
Base-Backbone interact. energy: -0.343
local terms energy: -78.107917
where:
bonds (distance) C4'-P energy: -20.314
bonds (distance) P-C4' energy: -21.807
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -15.266
tors. eta vs tors. theta energy: -6.177
Dist. restrs. and SS energy: 3.006 (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: 5
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -257.910555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.910555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.980409 (E_RNA)
where:
Base-Base interactions energy: -181.532
where: short stacking energy: -70.929
Base-Backbone interact. energy: -0.563
local terms energy: -75.884997
where:
bonds (distance) C4'-P energy: -19.158
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -21.171
flat angles P-C4'-P energy: -5.275
tors. eta vs tors. theta energy: -16.372
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: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -207.172984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.172984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.334573 (E_RNA)
where:
Base-Base interactions energy: -122.758
where: short stacking energy: -41.765
Base-Backbone interact. energy: -0.467
local terms energy: -86.110056
where:
bonds (distance) C4'-P energy: -23.608
bonds (distance) P-C4' energy: -26.081
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 2.162 (S_DIST_RNA)
chem. 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: -337.781559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.781559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.536399 (E_RNA)
where:
Base-Base interactions energy: -237.855
where: short stacking energy: -83.210
Base-Backbone interact. energy: -0.491
local terms energy: -101.190846
where:
bonds (distance) C4'-P energy: -18.583
bonds (distance) P-C4' energy: -23.852
flat angles C4'-P-C4' energy: -22.093
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -23.642
Dist. restrs. and SS energy: 1.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -329.176096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.176096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.796944 (E_RNA)
where:
Base-Base interactions energy: -221.121
where: short stacking energy: -99.185
Base-Backbone interact. energy: -1.504
local terms energy: -107.172083
where:
bonds (distance) C4'-P energy: -21.916
bonds (distance) P-C4' energy: -27.269
flat angles C4'-P-C4' energy: -20.808
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: -24.083
Dist. restrs. and SS energy: 0.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -336.446005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.446005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.505633 (E_RNA)
where:
Base-Base interactions energy: -233.218
where: short stacking energy: -97.952
Base-Backbone interact. energy: -0.140
local terms energy: -105.147443
where:
bonds (distance) C4'-P energy: -19.026
bonds (distance) P-C4' energy: -22.582
flat angles C4'-P-C4' energy: -18.642
flat angles P-C4'-P energy: -15.798
tors. eta vs tors. theta energy: -29.100
Dist. restrs. and SS energy: 2.060 (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: 7
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -294.959050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.959050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.635863 (E_RNA)
where:
Base-Base interactions energy: -197.954
where: short stacking energy: -92.206
Base-Backbone interact. energy: -0.309
local terms energy: -105.372963
where:
bonds (distance) C4'-P energy: -19.995
bonds (distance) P-C4' energy: -24.941
flat angles C4'-P-C4' energy: -21.755
flat angles P-C4'-P energy: -14.519
tors. eta vs tors. theta energy: -24.163
Dist. restrs. and SS energy: 8.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -276.709312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.709312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.098797 (E_RNA)
where:
Base-Base interactions energy: -181.100
where: short stacking energy: -74.087
Base-Backbone interact. energy: -0.489
local terms energy: -98.509682
where:
bonds (distance) C4'-P energy: -22.006
bonds (distance) P-C4' energy: -20.752
flat angles C4'-P-C4' energy: -21.318
flat angles P-C4'-P energy: -15.551
tors. eta vs tors. theta energy: -18.882
Dist. restrs. and SS energy: 3.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -243.132464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.132464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.623313 (E_RNA)
where:
Base-Base interactions energy: -161.148
where: short stacking energy: -61.077
Base-Backbone interact. energy: -0.179
local terms energy: -83.297167
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -21.917
flat angles C4'-P-C4' energy: -20.130
flat angles P-C4'-P energy: -15.558
tors. eta vs tors. theta energy: -8.222
Dist. restrs. and SS energy: 1.491 (S_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: 8
Temperature: 1.200000
Total energy: -267.864742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.864742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.403430 (E_RNA)
where:
Base-Base interactions energy: -186.290
where: short stacking energy: -68.803
Base-Backbone interact. energy: -0.602
local terms energy: -83.511216
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -19.776
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -18.110
Dist. restrs. and SS energy: 2.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -243.390519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.390519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.707087 (E_RNA)
where:
Base-Base interactions energy: -162.148
where: short stacking energy: -72.932
Base-Backbone interact. energy: -0.113
local terms energy: -85.446302
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -19.228
flat angles C4'-P-C4' energy: -21.222
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -16.845
Dist. restrs. and SS energy: 4.317 (S_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: 8
Temperature: 1.300000
Total energy: -254.609967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.609967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.753621 (E_RNA)
where:
Base-Base interactions energy: -167.489
where: short stacking energy: -74.936
Base-Backbone interact. energy: -0.148
local terms energy: -87.116698
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -20.309
flat angles C4'-P-C4' energy: -20.830
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -22.670
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: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -194.732644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.732644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.823091 (E_RNA)
where:
Base-Base interactions energy: -129.098
where: short stacking energy: -46.199
Base-Backbone interact. energy: 0.259
local terms energy: -65.983796
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -26.351
flat angles C4'-P-C4' energy: -8.777
flat angles P-C4'-P energy: -14.688
tors. eta vs tors. theta energy: 0.605
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: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -353.136826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.136826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.721905 (E_RNA)
where:
Base-Base interactions energy: -246.377
where: short stacking energy: -96.780
Base-Backbone interact. energy: -0.481
local terms energy: -107.863633
where:
bonds (distance) C4'-P energy: -20.474
bonds (distance) P-C4' energy: -18.789
flat angles C4'-P-C4' energy: -21.544
flat angles P-C4'-P energy: -20.383
tors. eta vs tors. theta energy: -26.675
Dist. restrs. and SS energy: 1.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -345.941833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.941833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.585978 (E_RNA)
where:
Base-Base interactions energy: -237.889
where: short stacking energy: -96.086
Base-Backbone interact. energy: -0.943
local terms energy: -107.754789
where:
bonds (distance) C4'-P energy: -20.781
bonds (distance) P-C4' energy: -18.884
flat angles C4'-P-C4' energy: -24.157
flat angles P-C4'-P energy: -16.208
tors. eta vs tors. theta energy: -27.724
Dist. restrs. and SS energy: 0.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -331.924153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.924153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.751395 (E_RNA)
where:
Base-Base interactions energy: -225.634
where: short stacking energy: -88.103
Base-Backbone interact. energy: -0.860
local terms energy: -106.257900
where:
bonds (distance) C4'-P energy: -17.880
bonds (distance) P-C4' energy: -26.354
flat angles C4'-P-C4' energy: -25.012
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -23.388
Dist. restrs. and SS energy: 0.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -296.739917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.739917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.765013 (E_RNA)
where:
Base-Base interactions energy: -195.437
where: short stacking energy: -77.675
Base-Backbone interact. energy: 0.282
local terms energy: -104.609678
where:
bonds (distance) C4'-P energy: -22.388
bonds (distance) P-C4' energy: -22.205
flat angles C4'-P-C4' energy: -23.209
flat angles P-C4'-P energy: -18.198
tors. eta vs tors. theta energy: -18.609
Dist. restrs. and SS energy: 3.025 (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: 9
Temperature: 1.100000
Total energy: -280.792678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.792678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.448368 (E_RNA)
where:
Base-Base interactions energy: -189.476
where: short stacking energy: -83.400
Base-Backbone interact. energy: -1.307
local terms energy: -95.664491
where:
bonds (distance) C4'-P energy: -19.793
bonds (distance) P-C4' energy: -21.220
flat angles C4'-P-C4' energy: -23.824
flat angles P-C4'-P energy: -14.626
tors. eta vs tors. theta energy: -16.202
Dist. restrs. and SS energy: 5.656 (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: 4
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -273.926979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.926979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.811972 (E_RNA)
where:
Base-Base interactions energy: -185.952
where: short stacking energy: -74.175
Base-Backbone interact. energy: -0.291
local terms energy: -89.568943
where:
bonds (distance) C4'-P energy: -20.847
bonds (distance) P-C4' energy: -19.293
flat angles C4'-P-C4' energy: -24.550
flat angles P-C4'-P energy: -12.752
tors. eta vs tors. theta energy: -12.126
Dist. restrs. and SS energy: 1.885 (S_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: 9
Temperature: 1.200000
Total energy: -241.522731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.522731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.435536 (E_RNA)
where:
Base-Base interactions energy: -167.221
where: short stacking energy: -55.387
Base-Backbone interact. energy: -1.528
local terms energy: -73.686697
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -24.980
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -8.455
Dist. restrs. and SS energy: 0.913 (S_DIST_RNA)
chem. 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: -251.504913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.504913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.955352 (E_RNA)
where:
Base-Base interactions energy: -162.159
where: short stacking energy: -60.259
Base-Backbone interact. energy: -0.469
local terms energy: -90.327511
where:
bonds (distance) C4'-P energy: -21.412
bonds (distance) P-C4' energy: -19.909
flat angles C4'-P-C4' energy: -19.110
flat angles P-C4'-P energy: -15.924
tors. eta vs tors. theta energy: -13.973
Dist. restrs. and SS energy: 1.450 (S_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: 9
Temperature: 1.300000
Total energy: -226.980615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.980615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.515423 (E_RNA)
where:
Base-Base interactions energy: -153.871
where: short stacking energy: -59.948
Base-Backbone interact. energy: 1.634
local terms energy: -76.277984
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -21.386
flat angles C4'-P-C4' energy: -17.942
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -10.778
Dist. restrs. and SS energy: 1.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -194.527508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.527508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.051801 (E_RNA)
where:
Base-Base interactions energy: -118.527
where: short stacking energy: -49.223
Base-Backbone interact. energy: 2.189
local terms energy: -78.714357
where:
bonds (distance) C4'-P energy: -22.756
bonds (distance) P-C4' energy: -24.396
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -1.812
Dist. restrs. and SS energy: 0.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -354.738671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.738671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.254266 (E_RNA)
where:
Base-Base interactions energy: -241.183
where: short stacking energy: -91.080
Base-Backbone interact. energy: -1.630
local terms energy: -113.440889
where:
bonds (distance) C4'-P energy: -21.063
bonds (distance) P-C4' energy: -28.250
flat angles C4'-P-C4' energy: -22.673
flat angles P-C4'-P energy: -17.149
tors. eta vs tors. theta energy: -24.305
Dist. restrs. and SS energy: 1.516 (S_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: 10
Temperature: 0.950000
Total energy: -345.819695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.819695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.255659 (E_RNA)
where:
Base-Base interactions energy: -225.397
where: short stacking energy: -90.545
Base-Backbone interact. energy: 0.182
local terms energy: -121.040606
where:
bonds (distance) C4'-P energy: -23.539
bonds (distance) P-C4' energy: -22.363
flat angles C4'-P-C4' energy: -25.693
flat angles P-C4'-P energy: -22.101
tors. eta vs tors. theta energy: -27.345
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: 3, replica: 2
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -325.145353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.145353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.743275 (E_RNA)
where:
Base-Base interactions energy: -223.434
where: short stacking energy: -89.839
Base-Backbone interact. energy: -0.172
local terms energy: -103.137143
where:
bonds (distance) C4'-P energy: -19.603
bonds (distance) P-C4' energy: -21.772
flat angles C4'-P-C4' energy: -24.688
flat angles P-C4'-P energy: -16.321
tors. eta vs tors. theta energy: -20.754
Dist. restrs. and SS energy: 1.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -282.789024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.789024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.234930 (E_RNA)
where:
Base-Base interactions energy: -183.194
where: short stacking energy: -86.663
Base-Backbone interact. energy: -0.425
local terms energy: -104.616158
where:
bonds (distance) C4'-P energy: -23.575
bonds (distance) P-C4' energy: -24.836
flat angles C4'-P-C4' energy: -20.184
flat angles P-C4'-P energy: -16.702
tors. eta vs tors. theta energy: -19.319
Dist. restrs. and SS energy: 5.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -316.147054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.147054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.266545 (E_RNA)
where:
Base-Base interactions energy: -209.916
where: short stacking energy: -82.225
Base-Backbone interact. energy: -1.297
local terms energy: -106.053541
where:
bonds (distance) C4'-P energy: -25.178
bonds (distance) P-C4' energy: -22.900
flat angles C4'-P-C4' energy: -23.972
flat angles P-C4'-P energy: -15.133
tors. eta vs tors. theta energy: -18.869
Dist. restrs. and SS energy: 1.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -271.584435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.584435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.402373 (E_RNA)
where:
Base-Base interactions energy: -170.730
where: short stacking energy: -79.526
Base-Backbone interact. energy: 0.210
local terms energy: -101.882337
where:
bonds (distance) C4'-P energy: -22.491
bonds (distance) P-C4' energy: -24.352
flat angles C4'-P-C4' energy: -21.253
flat angles P-C4'-P energy: -16.171
tors. eta vs tors. theta energy: -17.616
Dist. restrs. and SS energy: 0.818 (S_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: 10
Temperature: 1.200000
Total energy: -226.992883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.992883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.532851 (E_RNA)
where:
Base-Base interactions energy: -142.491
where: short stacking energy: -59.730
Base-Backbone interact. energy: -1.230
local terms energy: -86.811924
where:
bonds (distance) C4'-P energy: -22.516
bonds (distance) P-C4' energy: -19.885
flat angles C4'-P-C4' energy: -24.258
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -7.994
Dist. restrs. and SS energy: 3.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -242.544903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.544903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.316399 (E_RNA)
where:
Base-Base interactions energy: -159.326
where: short stacking energy: -72.717
Base-Backbone interact. energy: -1.181
local terms energy: -89.809751
where:
bonds (distance) C4'-P energy: -22.455
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -19.913
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -14.462
Dist. restrs. and SS energy: 7.771 (S_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: -252.757076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.757076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.864956 (E_RNA)
where:
Base-Base interactions energy: -170.376
where: short stacking energy: -83.325
Base-Backbone interact. energy: -0.318
local terms energy: -85.171038
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -23.577
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -23.429
Dist. restrs. and SS energy: 3.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -194.079774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.079774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.850831 (E_RNA)
where:
Base-Base interactions energy: -125.401
where: short stacking energy: -54.196
Base-Backbone interact. energy: -0.406
local terms energy: -73.043462
where:
bonds (distance) C4'-P energy: -21.096
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -6.011
Dist. restrs. and SS energy: 4.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -350.878147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.878147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.525170 (E_RNA)
where:
Base-Base interactions energy: -247.262
where: short stacking energy: -110.571
Base-Backbone interact. energy: -1.899
local terms energy: -103.364908
where:
bonds (distance) C4'-P energy: -18.922
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -24.608
flat angles P-C4'-P energy: -14.698
tors. eta vs tors. theta energy: -28.244
Dist. restrs. and SS energy: 1.647 (S_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: 11
Temperature: 0.950000
Total energy: -351.161862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.161862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.507741 (E_RNA)
where:
Base-Base interactions energy: -233.342
where: short stacking energy: -94.834
Base-Backbone interact. energy: -1.978
local terms energy: -117.187522
where:
bonds (distance) C4'-P energy: -23.291
bonds (distance) P-C4' energy: -21.990
flat angles C4'-P-C4' energy: -25.062
flat angles P-C4'-P energy: -20.906
tors. eta vs tors. theta energy: -25.938
Dist. restrs. and SS energy: 1.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -330.853731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.853731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.381712 (E_RNA)
where:
Base-Base interactions energy: -227.726
where: short stacking energy: -97.887
Base-Backbone interact. energy: -1.555
local terms energy: -104.101612
where:
bonds (distance) C4'-P energy: -23.162
bonds (distance) P-C4' energy: -22.413
flat angles C4'-P-C4' energy: -19.424
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -26.136
Dist. restrs. and SS energy: 2.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -319.273484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.273484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.987763 (E_RNA)
where:
Base-Base interactions energy: -215.154
where: short stacking energy: -85.773
Base-Backbone interact. energy: -0.175
local terms energy: -104.658535
where:
bonds (distance) C4'-P energy: -21.908
bonds (distance) P-C4' energy: -23.939
flat angles C4'-P-C4' energy: -20.916
flat angles P-C4'-P energy: -20.208
tors. eta vs tors. theta energy: -17.688
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: 5, replica: 10
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -312.855652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.855652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.028387 (E_RNA)
where:
Base-Base interactions energy: -212.876
where: short stacking energy: -86.819
Base-Backbone interact. energy: -2.560
local terms energy: -97.592640
where:
bonds (distance) C4'-P energy: -20.620
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -20.543
flat angles P-C4'-P energy: -17.670
tors. eta vs tors. theta energy: -21.410
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: 6, replica: 1
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -229.266966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.266966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.693784 (E_RNA)
where:
Base-Base interactions energy: -156.886
where: short stacking energy: -57.860
Base-Backbone interact. energy: -0.820
local terms energy: -76.988155
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -21.545
flat angles C4'-P-C4' energy: -24.597
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -3.540
Dist. restrs. and SS energy: 5.427 (S_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: 11
Temperature: 1.200000
Total energy: -236.006044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.006044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.460921 (E_RNA)
where:
Base-Base interactions energy: -153.540
where: short stacking energy: -50.973
Base-Backbone interact. energy: -1.037
local terms energy: -81.884317
where:
bonds (distance) C4'-P energy: -18.873
bonds (distance) P-C4' energy: -25.185
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -15.931
tors. eta vs tors. theta energy: -4.453
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: 8, replica: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -269.246959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.246959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.418536 (E_RNA)
where:
Base-Base interactions energy: -183.294
where: short stacking energy: -76.438
Base-Backbone interact. energy: -0.433
local terms energy: -86.691062
where:
bonds (distance) C4'-P energy: -23.782
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -16.985
Dist. restrs. and SS energy: 1.172 (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: 5
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -236.274714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.274714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.469772 (E_RNA)
where:
Base-Base interactions energy: -158.588
where: short stacking energy: -65.400
Base-Backbone interact. energy: -1.021
local terms energy: -82.861129
where:
bonds (distance) C4'-P energy: -19.083
bonds (distance) P-C4' energy: -19.272
flat angles C4'-P-C4' energy: -20.851
flat angles P-C4'-P energy: -13.428
tors. eta vs tors. theta energy: -10.227
Dist. restrs. and SS energy: 6.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -212.281861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.281861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.859396 (E_RNA)
where:
Base-Base interactions energy: -135.432
where: short stacking energy: -53.766
Base-Backbone interact. energy: -0.511
local terms energy: -77.915897
where:
bonds (distance) C4'-P energy: -19.593
bonds (distance) P-C4' energy: -18.500
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -17.176
tors. eta vs tors. theta energy: -8.688
Dist. restrs. and SS energy: 1.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -360.544846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.544846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.949288 (E_RNA)
where:
Base-Base interactions energy: -243.189
where: short stacking energy: -106.089
Base-Backbone interact. energy: 0.111
local terms energy: -118.871813
where:
bonds (distance) C4'-P energy: -23.593
bonds (distance) P-C4' energy: -26.230
flat angles C4'-P-C4' energy: -24.061
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -31.135
Dist. restrs. and SS energy: 1.404 (S_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: 12
Temperature: 0.950000
Total energy: -347.790528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.790528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.466241 (E_RNA)
where:
Base-Base interactions energy: -241.283
where: short stacking energy: -91.211
Base-Backbone interact. energy: -0.693
local terms energy: -106.490763
where:
bonds (distance) C4'-P energy: -23.332
bonds (distance) P-C4' energy: -23.536
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -18.291
tors. eta vs tors. theta energy: -26.358
Dist. restrs. and SS energy: 0.676 (S_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: -324.043503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.043503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.242755 (E_RNA)
where:
Base-Base interactions energy: -209.370
where: short stacking energy: -96.529
Base-Backbone interact. energy: -0.345
local terms energy: -118.528270
where:
bonds (distance) C4'-P energy: -22.371
bonds (distance) P-C4' energy: -26.850
flat angles C4'-P-C4' energy: -25.403
flat angles P-C4'-P energy: -17.500
tors. eta vs tors. theta energy: -26.404
Dist. restrs. and SS energy: 4.199 (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: 2
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -312.991481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.991481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.492846 (E_RNA)
where:
Base-Base interactions energy: -208.863
where: short stacking energy: -86.410
Base-Backbone interact. energy: -0.122
local terms energy: -105.507999
where:
bonds (distance) C4'-P energy: -24.060
bonds (distance) P-C4' energy: -22.291
flat angles C4'-P-C4' energy: -19.253
flat angles P-C4'-P energy: -15.577
tors. eta vs tors. theta energy: -24.328
Dist. restrs. and SS energy: 1.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -326.863255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.863255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.205040 (E_RNA)
where:
Base-Base interactions energy: -224.187
where: short stacking energy: -90.294
Base-Backbone interact. energy: -0.574
local terms energy: -103.444112
where:
bonds (distance) C4'-P energy: -20.023
bonds (distance) P-C4' energy: -25.415
flat angles C4'-P-C4' energy: -18.828
flat angles P-C4'-P energy: -14.009
tors. eta vs tors. theta energy: -25.169
Dist. restrs. and SS energy: 1.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -243.473804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.473804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.475130 (E_RNA)
where:
Base-Base interactions energy: -158.561
where: short stacking energy: -64.693
Base-Backbone interact. energy: -0.784
local terms energy: -86.129818
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -19.235
flat angles C4'-P-C4' energy: -19.144
flat angles P-C4'-P energy: -18.079
tors. eta vs tors. theta energy: -11.436
Dist. restrs. and SS energy: 2.001 (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: 12
Temperature: 1.200000
Total energy: -231.941943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.941943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.373345 (E_RNA)
where:
Base-Base interactions energy: -148.480
where: short stacking energy: -63.166
Base-Backbone interact. energy: -0.826
local terms energy: -88.068057
where:
bonds (distance) C4'-P energy: -22.594
bonds (distance) P-C4' energy: -21.833
flat angles C4'-P-C4' energy: -21.480
flat angles P-C4'-P energy: -13.831
tors. eta vs tors. theta energy: -8.330
Dist. restrs. and SS energy: 5.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -255.057202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.057202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.791037 (E_RNA)
where:
Base-Base interactions energy: -168.423
where: short stacking energy: -63.935
Base-Backbone interact. energy: 1.723
local terms energy: -90.090888
where:
bonds (distance) C4'-P energy: -18.914
bonds (distance) P-C4' energy: -22.310
flat angles C4'-P-C4' energy: -18.712
flat angles P-C4'-P energy: -15.112
tors. eta vs tors. theta energy: -15.043
Dist. restrs. and SS energy: 1.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -205.808038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.808038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.749906 (E_RNA)
where:
Base-Base interactions energy: -133.118
where: short stacking energy: -44.967
Base-Backbone interact. energy: -1.075
local terms energy: -75.556490
where:
bonds (distance) C4'-P energy: -21.493
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -18.396
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -7.381
Dist. restrs. and SS energy: 3.942 (S_DIST_RNA)
chem. 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: -229.396178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.396178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.315571 (E_RNA)
where:
Base-Base interactions energy: -152.513
where: short stacking energy: -67.615
Base-Backbone interact. energy: -1.075
local terms energy: -80.727412
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -24.496
flat angles C4'-P-C4' energy: -21.551
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -9.481
Dist. restrs. and SS energy: 4.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -348.938421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.938421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.976055 (E_RNA)
where:
Base-Base interactions energy: -232.807
where: short stacking energy: -96.021
Base-Backbone interact. energy: -0.461
local terms energy: -117.707714
where:
bonds (distance) C4'-P energy: -24.106
bonds (distance) P-C4' energy: -24.757
flat angles C4'-P-C4' energy: -26.429
flat angles P-C4'-P energy: -17.120
tors. eta vs tors. theta energy: -25.295
Dist. restrs. and SS energy: 2.038 (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: 6
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -357.131078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.131078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.551357 (E_RNA)
where:
Base-Base interactions energy: -244.253
where: short stacking energy: -103.498
Base-Backbone interact. energy: -0.177
local terms energy: -113.120937
where:
bonds (distance) C4'-P energy: -19.979
bonds (distance) P-C4' energy: -23.456
flat angles C4'-P-C4' energy: -24.013
flat angles P-C4'-P energy: -16.441
tors. eta vs tors. theta energy: -29.231
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: 3, replica: 4
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -329.784354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.784354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.563816 (E_RNA)
where:
Base-Base interactions energy: -222.115
where: short stacking energy: -93.372
Base-Backbone interact. energy: -1.481
local terms energy: -107.968097
where:
bonds (distance) C4'-P energy: -21.520
bonds (distance) P-C4' energy: -23.458
flat angles C4'-P-C4' energy: -23.178
flat angles P-C4'-P energy: -14.888
tors. eta vs tors. theta energy: -24.924
Dist. restrs. and SS energy: 1.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -310.635904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.635904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.917663 (E_RNA)
where:
Base-Base interactions energy: -219.408
where: short stacking energy: -91.050
Base-Backbone interact. energy: -0.120
local terms energy: -92.389845
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -20.630
flat angles C4'-P-C4' energy: -22.304
flat angles P-C4'-P energy: -13.583
tors. eta vs tors. theta energy: -22.358
Dist. restrs. and SS energy: 1.282 (S_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: 13
Temperature: 1.100000
Total energy: -302.617592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.617592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.054929 (E_RNA)
where:
Base-Base interactions energy: -203.187
where: short stacking energy: -85.088
Base-Backbone interact. energy: -1.447
local terms energy: -100.420352
where:
bonds (distance) C4'-P energy: -19.518
bonds (distance) P-C4' energy: -22.327
flat angles C4'-P-C4' energy: -23.465
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -23.490
Dist. restrs. and SS energy: 2.437 (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: 7
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -262.885351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.885351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.588813 (E_RNA)
where:
Base-Base interactions energy: -181.818
where: short stacking energy: -66.302
Base-Backbone interact. energy: -0.410
local terms energy: -84.360255
where:
bonds (distance) C4'-P energy: -23.566
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -19.037
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -12.641
Dist. restrs. and SS energy: 3.703 (S_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: 13
Temperature: 1.200000
Total energy: -244.146581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.146581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.370878 (E_RNA)
where:
Base-Base interactions energy: -162.331
where: short stacking energy: -71.438
Base-Backbone interact. energy: -1.240
local terms energy: -80.799303
where:
bonds (distance) C4'-P energy: -20.680
bonds (distance) P-C4' energy: -16.292
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -15.918
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: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -237.306225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.306225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.279293 (E_RNA)
where:
Base-Base interactions energy: -157.697
where: short stacking energy: -58.978
Base-Backbone interact. energy: -1.167
local terms energy: -80.415689
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -21.118
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -15.278
Dist. restrs. and SS energy: 1.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -217.394071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.394071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.779223 (E_RNA)
where:
Base-Base interactions energy: -138.449
where: short stacking energy: -59.698
Base-Backbone interact. energy: -0.499
local terms energy: -80.830881
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -24.747
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -13.902
Dist. restrs. and SS energy: 2.385 (S_DIST_RNA)
chem. 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: -223.656632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.656632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.017763 (E_RNA)
where:
Base-Base interactions energy: -144.588
where: short stacking energy: -55.920
Base-Backbone interact. energy: -0.402
local terms energy: -80.027234
where:
bonds (distance) C4'-P energy: -23.460
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: -8.361
Dist. restrs. and SS energy: 1.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -358.636091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.636091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.134969 (E_RNA)
where:
Base-Base interactions energy: -248.424
where: short stacking energy: -98.764
Base-Backbone interact. energy: -0.889
local terms energy: -110.822469
where:
bonds (distance) C4'-P energy: -25.208
bonds (distance) P-C4' energy: -22.028
flat angles C4'-P-C4' energy: -21.639
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -29.905
Dist. restrs. and SS energy: 1.499 (S_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: 14
Temperature: 0.950000
Total energy: -352.161098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.161098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.502021 (E_RNA)
where:
Base-Base interactions energy: -238.728
where: short stacking energy: -103.484
Base-Backbone interact. energy: -1.696
local terms energy: -113.077954
where:
bonds (distance) C4'-P energy: -23.825
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -24.371
flat angles P-C4'-P energy: -19.848
tors. eta vs tors. theta energy: -28.399
Dist. restrs. and SS energy: 1.341 (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: 10
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -333.444334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.444334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.046017 (E_RNA)
where:
Base-Base interactions energy: -243.467
where: short stacking energy: -90.256
Base-Backbone interact. energy: -0.653
local terms energy: -89.925800
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -18.348
flat angles P-C4'-P energy: -17.015
tors. eta vs tors. theta energy: -18.012
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: 4, replica: 4
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -319.246050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.246050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.218384 (E_RNA)
where:
Base-Base interactions energy: -221.079
where: short stacking energy: -96.243
Base-Backbone interact. energy: -0.202
local terms energy: -98.937206
where:
bonds (distance) C4'-P energy: -18.637
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -23.389
flat angles P-C4'-P energy: -18.467
tors. eta vs tors. theta energy: -23.366
Dist. restrs. and SS energy: 0.972 (S_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: 14
Temperature: 1.100000
Total energy: -308.872632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.872632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.415387 (E_RNA)
where:
Base-Base interactions energy: -210.302
where: short stacking energy: -72.235
Base-Backbone interact. energy: -1.104
local terms energy: -99.009932
where:
bonds (distance) C4'-P energy: -18.360
bonds (distance) P-C4' energy: -23.812
flat angles C4'-P-C4' energy: -19.496
flat angles P-C4'-P energy: -15.996
tors. eta vs tors. theta energy: -21.346
Dist. restrs. and SS energy: 1.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -250.971446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.971446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.813545 (E_RNA)
where:
Base-Base interactions energy: -162.615
where: short stacking energy: -77.744
Base-Backbone interact. energy: 0.063
local terms energy: -89.261708
where:
bonds (distance) C4'-P energy: -21.880
bonds (distance) P-C4' energy: -18.764
flat angles C4'-P-C4' energy: -20.649
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -17.206
Dist. restrs. and SS energy: 0.842 (S_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: 14
Temperature: 1.200000
Total energy: -252.081222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.081222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.813472 (E_RNA)
where:
Base-Base interactions energy: -167.208
where: short stacking energy: -59.197
Base-Backbone interact. energy: -2.511
local terms energy: -86.094371
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -22.083
flat angles C4'-P-C4' energy: -23.722
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -9.609
Dist. restrs. and SS energy: 3.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -246.098825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.098825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.667696 (E_RNA)
where:
Base-Base interactions energy: -167.327
where: short stacking energy: -71.229
Base-Backbone interact. energy: 0.473
local terms energy: -81.813877
where:
bonds (distance) C4'-P energy: -20.675
bonds (distance) P-C4' energy: -20.452
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -17.612
tors. eta vs tors. theta energy: -10.778
Dist. restrs. and SS energy: 2.569 (S_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: -224.019418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.019418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.987191 (E_RNA)
where:
Base-Base interactions energy: -150.539
where: short stacking energy: -78.384
Base-Backbone interact. energy: 0.331
local terms energy: -78.778558
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -22.099
flat angles C4'-P-C4' energy: -20.953
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -10.165
Dist. restrs. and SS energy: 4.968 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -232.030404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.030404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.728908 (E_RNA)
where:
Base-Base interactions energy: -148.621
where: short stacking energy: -58.771
Base-Backbone interact. energy: 1.451
local terms energy: -86.559460
where:
bonds (distance) C4'-P energy: -19.871
bonds (distance) P-C4' energy: -23.556
flat angles C4'-P-C4' energy: -20.663
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -10.136
Dist. restrs. and SS energy: 1.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -361.264009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.264009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.738757 (E_RNA)
where:
Base-Base interactions energy: -246.658
where: short stacking energy: -96.285
Base-Backbone interact. energy: -1.146
local terms energy: -114.934796
where:
bonds (distance) C4'-P energy: -21.903
bonds (distance) P-C4' energy: -23.947
flat angles C4'-P-C4' energy: -27.919
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -30.996
Dist. restrs. and SS energy: 1.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -358.915226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.915226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.330530 (E_RNA)
where:
Base-Base interactions energy: -244.523
where: short stacking energy: -88.516
Base-Backbone interact. energy: 0.345
local terms energy: -116.152560
where:
bonds (distance) C4'-P energy: -25.790
bonds (distance) P-C4' energy: -21.175
flat angles C4'-P-C4' energy: -22.211
flat angles P-C4'-P energy: -18.440
tors. eta vs tors. theta energy: -28.537
Dist. restrs. and SS energy: 1.415 (S_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: 15
Temperature: 1.000000
Total energy: -329.842751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.842751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.899348 (E_RNA)
where:
Base-Base interactions energy: -225.007
where: short stacking energy: -88.948
Base-Backbone interact. energy: 0.716
local terms energy: -105.608101
where:
bonds (distance) C4'-P energy: -23.787
bonds (distance) P-C4' energy: -19.180
flat angles C4'-P-C4' energy: -20.473
flat angles P-C4'-P energy: -18.120
tors. eta vs tors. theta energy: -24.048
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: 4, replica: 2
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -301.281991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.281991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.481044 (E_RNA)
where:
Base-Base interactions energy: -214.467
where: short stacking energy: -87.113
Base-Backbone interact. energy: -1.600
local terms energy: -85.413757
where:
bonds (distance) C4'-P energy: -21.030
bonds (distance) P-C4' energy: -20.446
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -20.186
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: 4
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -299.088042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.088042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.939348 (E_RNA)
where:
Base-Base interactions energy: -198.048
where: short stacking energy: -84.574
Base-Backbone interact. energy: -1.150
local terms energy: -101.740629
where:
bonds (distance) C4'-P energy: -21.721
bonds (distance) P-C4' energy: -22.008
flat angles C4'-P-C4' energy: -24.568
flat angles P-C4'-P energy: -12.698
tors. eta vs tors. theta energy: -20.746
Dist. restrs. and SS energy: 1.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -280.334854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.334854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.476405 (E_RNA)
where:
Base-Base interactions energy: -190.046
where: short stacking energy: -82.409
Base-Backbone interact. energy: -0.654
local terms energy: -92.775818
where:
bonds (distance) C4'-P energy: -19.613
bonds (distance) P-C4' energy: -20.217
flat angles C4'-P-C4' energy: -23.000
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -17.681
Dist. restrs. and SS energy: 3.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -290.768709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.768709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.401638 (E_RNA)
where:
Base-Base interactions energy: -196.127
where: short stacking energy: -95.647
Base-Backbone interact. energy: -1.161
local terms energy: -99.113567
where:
bonds (distance) C4'-P energy: -19.685
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -23.835
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -23.555
Dist. restrs. and SS energy: 5.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -260.140934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.140934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.829928 (E_RNA)
where:
Base-Base interactions energy: -174.810
where: short stacking energy: -72.794
Base-Backbone interact. energy: 0.569
local terms energy: -89.588586
where:
bonds (distance) C4'-P energy: -22.490
bonds (distance) P-C4' energy: -21.513
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -13.862
tors. eta vs tors. theta energy: -15.808
Dist. restrs. and SS energy: 3.689 (S_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: 15
Temperature: 1.300000
Total energy: -216.217327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.217327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.512380 (E_RNA)
where:
Base-Base interactions energy: -137.382
where: short stacking energy: -57.296
Base-Backbone interact. energy: -0.090
local terms energy: -79.040990
where:
bonds (distance) C4'-P energy: -20.310
bonds (distance) P-C4' energy: -12.545
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -13.932
tors. eta vs tors. theta energy: -13.399
Dist. restrs. and SS energy: 0.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -223.013093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.013093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.906911 (E_RNA)
where:
Base-Base interactions energy: -147.877
where: short stacking energy: -74.573
Base-Backbone interact. energy: -0.425
local terms energy: -78.604477
where:
bonds (distance) C4'-P energy: -18.194
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -20.284
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -12.873
Dist. restrs. and SS energy: 3.894 (S_DIST_RNA)
chem. 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: -360.212565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.212565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.035435 (E_RNA)
where:
Base-Base interactions energy: -240.875
where: short stacking energy: -95.071
Base-Backbone interact. energy: -1.180
local terms energy: -118.980553
where:
bonds (distance) C4'-P energy: -26.350
bonds (distance) P-C4' energy: -26.420
flat angles C4'-P-C4' energy: -21.205
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: -29.721
Dist. restrs. and SS energy: 0.823 (S_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: 16
Temperature: 0.950000
Total energy: -354.663893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.663893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.425216 (E_RNA)
where:
Base-Base interactions energy: -242.192
where: short stacking energy: -96.194
Base-Backbone interact. energy: 1.460
local terms energy: -114.692609
where:
bonds (distance) C4'-P energy: -25.750
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -23.595
flat angles P-C4'-P energy: -15.582
tors. eta vs tors. theta energy: -30.499
Dist. restrs. and SS energy: 0.761 (S_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: 16
Temperature: 1.000000
Total energy: -312.684306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.684306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.726225 (E_RNA)
where:
Base-Base interactions energy: -211.111
where: short stacking energy: -77.379
Base-Backbone interact. energy: -0.065
local terms energy: -101.550581
where:
bonds (distance) C4'-P energy: -19.192
bonds (distance) P-C4' energy: -24.625
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -19.533
tors. eta vs tors. theta energy: -21.518
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: 4, replica: 2
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -318.812635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.812635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.858612 (E_RNA)
where:
Base-Base interactions energy: -225.307
where: short stacking energy: -93.887
Base-Backbone interact. energy: -1.434
local terms energy: -92.117887
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -20.374
flat angles C4'-P-C4' energy: -21.164
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -23.487
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: 4
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -317.694054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.694054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.473776 (E_RNA)
where:
Base-Base interactions energy: -223.869
where: short stacking energy: -88.531
Base-Backbone interact. energy: -0.023
local terms energy: -94.582350
where:
bonds (distance) C4'-P energy: -20.691
bonds (distance) P-C4' energy: -20.802
flat angles C4'-P-C4' energy: -19.561
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -20.374
Dist. restrs. and SS energy: 0.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -269.804660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.804660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.206731 (E_RNA)
where:
Base-Base interactions energy: -184.295
where: short stacking energy: -67.463
Base-Backbone interact. energy: -2.088
local terms energy: -85.823458
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -24.136
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -15.927
Dist. restrs. and SS energy: 2.402 (S_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: 16
Temperature: 1.200000
Total energy: -259.375102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.375102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.460110 (E_RNA)
where:
Base-Base interactions energy: -180.520
where: short stacking energy: -65.769
Base-Backbone interact. energy: -0.289
local terms energy: -81.651421
where:
bonds (distance) C4'-P energy: -17.635
bonds (distance) P-C4' energy: -12.226
flat angles C4'-P-C4' energy: -24.069
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -16.013
Dist. restrs. and SS energy: 3.085 (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: 16
Temperature: 1.250000
Total energy: -252.962070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.962070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.407042 (E_RNA)
where:
Base-Base interactions energy: -178.218
where: short stacking energy: -69.170
Base-Backbone interact. energy: -0.897
local terms energy: -77.291915
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -23.087
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -13.852
Dist. restrs. and SS energy: 3.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -232.647741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.647741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.328918 (E_RNA)
where:
Base-Base interactions energy: -153.950
where: short stacking energy: -71.833
Base-Backbone interact. energy: 2.809
local terms energy: -86.187837
where:
bonds (distance) C4'-P energy: -21.067
bonds (distance) P-C4' energy: -21.998
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -13.323
Dist. restrs. and SS energy: 4.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -214.041461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.041461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.337707 (E_RNA)
where:
Base-Base interactions energy: -135.114
where: short stacking energy: -66.883
Base-Backbone interact. energy: -0.470
local terms energy: -82.753482
where:
bonds (distance) C4'-P energy: -23.129
bonds (distance) P-C4' energy: -17.307
flat angles C4'-P-C4' energy: -19.877
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -10.522
Dist. restrs. and SS energy: 4.296 (S_DIST_RNA)
chem. 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: -367.463353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.463353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.730024 (E_RNA)
where:
Base-Base interactions energy: -268.368
where: short stacking energy: -101.213
Base-Backbone interact. energy: 1.069
local terms energy: -101.431152
where:
bonds (distance) C4'-P energy: -22.083
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -19.645
flat angles P-C4'-P energy: -13.755
tors. eta vs tors. theta energy: -27.947
Dist. restrs. and SS energy: 1.267 (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: 6
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -338.948934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.948934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.370515 (E_RNA)
where:
Base-Base interactions energy: -225.232
where: short stacking energy: -100.853
Base-Backbone interact. energy: -0.909
local terms energy: -114.229576
where:
bonds (distance) C4'-P energy: -21.031
bonds (distance) P-C4' energy: -23.633
flat angles C4'-P-C4' energy: -24.725
flat angles P-C4'-P energy: -18.576
tors. eta vs tors. theta energy: -26.264
Dist. restrs. and SS energy: 1.422 (S_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: 17
Temperature: 1.000000
Total energy: -314.717070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.717070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.730321 (E_RNA)
where:
Base-Base interactions energy: -213.439
where: short stacking energy: -93.735
Base-Backbone interact. energy: -0.040
local terms energy: -101.251927
where:
bonds (distance) C4'-P energy: -19.426
bonds (distance) P-C4' energy: -24.025
flat angles C4'-P-C4' energy: -21.070
flat angles P-C4'-P energy: -14.221
tors. eta vs tors. theta energy: -22.510
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: 17
Temperature: 1.050000
Total energy: -318.980167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.980167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.161411 (E_RNA)
where:
Base-Base interactions energy: -215.398
where: short stacking energy: -91.178
Base-Backbone interact. energy: -0.570
local terms energy: -103.192776
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -23.295
flat angles C4'-P-C4' energy: -23.096
flat angles P-C4'-P energy: -17.737
tors. eta vs tors. theta energy: -23.888
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: 2
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -313.652895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.652895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.649386 (E_RNA)
where:
Base-Base interactions energy: -210.389
where: short stacking energy: -82.695
Base-Backbone interact. energy: -0.156
local terms energy: -105.103728
where:
bonds (distance) C4'-P energy: -21.494
bonds (distance) P-C4' energy: -23.999
flat angles C4'-P-C4' energy: -21.178
flat angles P-C4'-P energy: -16.734
tors. eta vs tors. theta energy: -21.698
Dist. restrs. and SS energy: 1.996 (S_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: 17
Temperature: 1.150000
Total energy: -264.455684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.455684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.154069 (E_RNA)
where:
Base-Base interactions energy: -169.092
where: short stacking energy: -70.056
Base-Backbone interact. energy: -0.608
local terms energy: -96.454067
where:
bonds (distance) C4'-P energy: -26.721
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -18.711
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -20.101
Dist. restrs. and SS energy: 1.698 (S_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: 17
Temperature: 1.200000
Total energy: -229.193099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.193099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.544348 (E_RNA)
where:
Base-Base interactions energy: -137.028
where: short stacking energy: -70.069
Base-Backbone interact. energy: -0.942
local terms energy: -95.574365
where:
bonds (distance) C4'-P energy: -21.455
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -22.991
flat angles P-C4'-P energy: -17.095
tors. eta vs tors. theta energy: -15.354
Dist. restrs. and SS energy: 4.351 (S_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: 17
Temperature: 1.250000
Total energy: -209.416744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.416744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.820654 (E_RNA)
where:
Base-Base interactions energy: -122.484
where: short stacking energy: -44.057
Base-Backbone interact. energy: -0.745
local terms energy: -86.591442
where:
bonds (distance) C4'-P energy: -19.447
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -23.282
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: -6.885
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: 9, replica: 7
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -251.098738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.098738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.109767 (E_RNA)
where:
Base-Base interactions energy: -167.261
where: short stacking energy: -58.122
Base-Backbone interact. energy: -0.221
local terms energy: -87.627613
where:
bonds (distance) C4'-P energy: -21.551
bonds (distance) P-C4' energy: -18.455
flat angles C4'-P-C4' energy: -17.968
flat angles P-C4'-P energy: -16.561
tors. eta vs tors. theta energy: -13.092
Dist. restrs. and SS energy: 4.011 (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: 5
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -206.573354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.573354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.510183 (E_RNA)
where:
Base-Base interactions energy: -131.505
where: short stacking energy: -52.115
Base-Backbone interact. energy: -0.528
local terms energy: -78.477103
where:
bonds (distance) C4'-P energy: -20.144
bonds (distance) P-C4' energy: -21.010
flat angles C4'-P-C4' energy: -17.937
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -7.538
Dist. restrs. and SS energy: 3.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -361.339671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.339671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.231758 (E_RNA)
where:
Base-Base interactions energy: -258.313
where: short stacking energy: -105.388
Base-Backbone interact. energy: -0.926
local terms energy: -103.993341
where:
bonds (distance) C4'-P energy: -20.652
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -24.038
flat angles P-C4'-P energy: -14.739
tors. eta vs tors. theta energy: -26.637
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: 2, replica: 6
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -347.676359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.676359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.689422 (E_RNA)
where:
Base-Base interactions energy: -231.549
where: short stacking energy: -91.059
Base-Backbone interact. energy: 1.235
local terms energy: -118.376332
where:
bonds (distance) C4'-P energy: -25.546
bonds (distance) P-C4' energy: -23.283
flat angles C4'-P-C4' energy: -23.767
flat angles P-C4'-P energy: -16.546
tors. eta vs tors. theta energy: -29.233
Dist. restrs. and SS energy: 1.013 (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: 4
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -316.583851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.583851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.665504 (E_RNA)
where:
Base-Base interactions energy: -212.933
where: short stacking energy: -92.380
Base-Backbone interact. energy: -1.183
local terms energy: -102.550080
where:
bonds (distance) C4'-P energy: -25.857
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -22.452
flat angles P-C4'-P energy: -14.474
tors. eta vs tors. theta energy: -22.843
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: 4, replica: 10
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -320.045539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.045539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.148541 (E_RNA)
where:
Base-Base interactions energy: -208.730
where: short stacking energy: -92.744
Base-Backbone interact. energy: -0.112
local terms energy: -111.306636
where:
bonds (distance) C4'-P energy: -21.787
bonds (distance) P-C4' energy: -24.409
flat angles C4'-P-C4' energy: -21.376
flat angles P-C4'-P energy: -14.503
tors. eta vs tors. theta energy: -29.232
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: 2
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -322.875483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.875483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.158908 (E_RNA)
where:
Base-Base interactions energy: -221.388
where: short stacking energy: -87.660
Base-Backbone interact. energy: 0.383
local terms energy: -104.154052
where:
bonds (distance) C4'-P energy: -20.885
bonds (distance) P-C4' energy: -22.206
flat angles C4'-P-C4' energy: -21.465
flat angles P-C4'-P energy: -17.784
tors. eta vs tors. theta energy: -21.815
Dist. restrs. and SS energy: 2.283 (S_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: 18
Temperature: 1.150000
Total energy: -273.968280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.968280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.269766 (E_RNA)
where:
Base-Base interactions energy: -185.656
where: short stacking energy: -72.265
Base-Backbone interact. energy: -0.419
local terms energy: -91.195602
where:
bonds (distance) C4'-P energy: -24.151
bonds (distance) P-C4' energy: -17.915
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -16.861
tors. eta vs tors. theta energy: -14.465
Dist. restrs. and SS energy: 3.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -226.920249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.920249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.075973 (E_RNA)
where:
Base-Base interactions energy: -150.667
where: short stacking energy: -67.979
Base-Backbone interact. energy: -0.107
local terms energy: -81.301779
where:
bonds (distance) C4'-P energy: -19.414
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -15.595
tors. eta vs tors. theta energy: -13.327
Dist. restrs. and SS energy: 5.156 (S_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: 18
Temperature: 1.250000
Total energy: -214.304837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.304837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.358717 (E_RNA)
where:
Base-Base interactions energy: -136.670
where: short stacking energy: -47.543
Base-Backbone interact. energy: -1.412
local terms energy: -76.277396
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -19.754
flat angles C4'-P-C4' energy: -21.899
flat angles P-C4'-P energy: -4.986
tors. eta vs tors. theta energy: -11.059
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: 7
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -256.856261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.856261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.384416 (E_RNA)
where:
Base-Base interactions energy: -176.441
where: short stacking energy: -70.552
Base-Backbone interact. energy: 0.002
local terms energy: -85.945658
where:
bonds (distance) C4'-P energy: -18.147
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -22.656
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -18.375
Dist. restrs. and SS energy: 5.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -208.086665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.086665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.490168 (E_RNA)
where:
Base-Base interactions energy: -133.727
where: short stacking energy: -60.353
Base-Backbone interact. energy: -0.650
local terms energy: -84.113460
where:
bonds (distance) C4'-P energy: -20.051
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -21.255
flat angles P-C4'-P energy: -15.008
tors. eta vs tors. theta energy: -9.797
Dist. restrs. and SS energy: 10.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -359.558037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.558037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.136523 (E_RNA)
where:
Base-Base interactions energy: -249.383
where: short stacking energy: -100.031
Base-Backbone interact. energy: 0.958
local terms energy: -112.711677
where:
bonds (distance) C4'-P energy: -20.136
bonds (distance) P-C4' energy: -24.543
flat angles C4'-P-C4' energy: -25.457
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -27.845
Dist. restrs. and SS energy: 1.578 (S_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: 19
Temperature: 0.950000
Total energy: -364.537231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.537231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.734239 (E_RNA)
where:
Base-Base interactions energy: -262.599
where: short stacking energy: -96.706
Base-Backbone interact. energy: -0.557
local terms energy: -103.578490
where:
bonds (distance) C4'-P energy: -21.625
bonds (distance) P-C4' energy: -22.599
flat angles C4'-P-C4' energy: -19.711
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -26.665
Dist. restrs. and SS energy: 2.197 (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: 19
Temperature: 1.000000
Total energy: -311.939756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.939756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.960023 (E_RNA)
where:
Base-Base interactions energy: -211.667
where: short stacking energy: -93.434
Base-Backbone interact. energy: -1.110
local terms energy: -101.183670
where:
bonds (distance) C4'-P energy: -19.321
bonds (distance) P-C4' energy: -21.977
flat angles C4'-P-C4' energy: -21.113
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -24.977
Dist. restrs. and SS energy: 2.020 (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: 2
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -315.857289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.857289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.176391 (E_RNA)
where:
Base-Base interactions energy: -223.958
where: short stacking energy: -84.935
Base-Backbone interact. energy: -0.179
local terms energy: -93.038626
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -20.157
flat angles C4'-P-C4' energy: -18.106
flat angles P-C4'-P energy: -16.450
tors. eta vs tors. theta energy: -24.243
Dist. restrs. and SS energy: 1.319 (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: 10
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -286.315946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.315946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.315946 (E_RNA)
where:
Base-Base interactions energy: -191.881
where: short stacking energy: -76.126
Base-Backbone interact. energy: 0.478
local terms energy: -94.913537
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -24.050
flat angles C4'-P-C4' energy: -19.175
flat angles P-C4'-P energy: -19.006
tors. eta vs tors. theta energy: -16.099
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -270.088705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.088705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.150670 (E_RNA)
where:
Base-Base interactions energy: -183.574
where: short stacking energy: -93.519
Base-Backbone interact. energy: -0.131
local terms energy: -94.445735
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -18.753
flat angles C4'-P-C4' energy: -25.223
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -22.614
Dist. restrs. and SS energy: 8.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -240.621453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.621453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.845067 (E_RNA)
where:
Base-Base interactions energy: -159.289
where: short stacking energy: -68.330
Base-Backbone interact. energy: 1.336
local terms energy: -87.892221
where:
bonds (distance) C4'-P energy: -18.836
bonds (distance) P-C4' energy: -20.422
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -15.297
tors. eta vs tors. theta energy: -15.566
Dist. restrs. and SS energy: 5.224 (S_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: -223.941842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.941842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.500838 (E_RNA)
where:
Base-Base interactions energy: -144.285
where: short stacking energy: -66.851
Base-Backbone interact. energy: -0.149
local terms energy: -81.066455
where:
bonds (distance) C4'-P energy: -20.099
bonds (distance) P-C4' energy: -22.515
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -15.848
Dist. restrs. and SS energy: 1.559 (S_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: 19
Temperature: 1.300000
Total energy: -228.321867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.321867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.459898 (E_RNA)
where:
Base-Base interactions energy: -152.973
where: short stacking energy: -56.486
Base-Backbone interact. energy: -0.558
local terms energy: -74.928287
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -23.076
flat angles P-C4'-P energy: -13.761
tors. eta vs tors. theta energy: -9.722
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: 5
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -205.077768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.077768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.902953 (E_RNA)
where:
Base-Base interactions energy: -133.222
where: short stacking energy: -45.241
Base-Backbone interact. energy: -0.017
local terms energy: -73.664058
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -16.665
tors. eta vs tors. theta energy: -4.109
Dist. restrs. and SS energy: 1.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -360.499479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.499479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.824986 (E_RNA)
where:
Base-Base interactions energy: -255.835
where: short stacking energy: -97.908
Base-Backbone interact. energy: -0.471
local terms energy: -105.519041
where:
bonds (distance) C4'-P energy: -23.508
bonds (distance) P-C4' energy: -21.223
flat angles C4'-P-C4' energy: -19.222
flat angles P-C4'-P energy: -15.973
tors. eta vs tors. theta energy: -25.593
Dist. restrs. and SS energy: 1.326 (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: 3
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -349.831363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.831363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.034266 (E_RNA)
where:
Base-Base interactions energy: -248.649
where: short stacking energy: -95.465
Base-Backbone interact. energy: 0.617
local terms energy: -103.002307
where:
bonds (distance) C4'-P energy: -21.966
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -21.240
flat angles P-C4'-P energy: -16.015
tors. eta vs tors. theta energy: -26.897
Dist. restrs. and SS energy: 1.203 (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: 20
Temperature: 1.000000
Total energy: -334.155860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.155860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.291211 (E_RNA)
where:
Base-Base interactions energy: -229.394
where: short stacking energy: -101.584
Base-Backbone interact. energy: -1.959
local terms energy: -109.938689
where:
bonds (distance) C4'-P energy: -22.487
bonds (distance) P-C4' energy: -22.626
flat angles C4'-P-C4' energy: -24.926
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -28.975
Dist. restrs. and SS energy: 7.135 (S_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: 20
Temperature: 1.050000
Total energy: -310.332936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.332936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.208423 (E_RNA)
where:
Base-Base interactions energy: -212.525
where: short stacking energy: -84.289
Base-Backbone interact. energy: -0.898
local terms energy: -97.785044
where:
bonds (distance) C4'-P energy: -17.543
bonds (distance) P-C4' energy: -19.683
flat angles C4'-P-C4' energy: -23.163
flat angles P-C4'-P energy: -16.626
tors. eta vs tors. theta energy: -20.770
Dist. restrs. and SS energy: 0.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -291.227656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.227656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.564982 (E_RNA)
where:
Base-Base interactions energy: -193.310
where: short stacking energy: -84.015
Base-Backbone interact. energy: -0.113
local terms energy: -98.142382
where:
bonds (distance) C4'-P energy: -18.562
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -23.181
flat angles P-C4'-P energy: -19.330
tors. eta vs tors. theta energy: -19.359
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: 6, replica: 8
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -269.098914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.098914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.483305 (E_RNA)
where:
Base-Base interactions energy: -179.395
where: short stacking energy: -88.351
Base-Backbone interact. energy: -0.214
local terms energy: -95.873816
where:
bonds (distance) C4'-P energy: -22.247
bonds (distance) P-C4' energy: -17.527
flat angles C4'-P-C4' energy: -21.291
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -23.138
Dist. restrs. and SS energy: 6.384 (S_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: -254.986024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.986024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.734636 (E_RNA)
where:
Base-Base interactions energy: -170.123
where: short stacking energy: -77.939
Base-Backbone interact. energy: -0.094
local terms energy: -93.517809
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -23.237
flat angles C4'-P-C4' energy: -18.412
flat angles P-C4'-P energy: -15.002
tors. eta vs tors. theta energy: -21.427
Dist. restrs. and SS energy: 8.749 (S_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: 20
Temperature: 1.250000
Total energy: -226.805582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.805582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.039331 (E_RNA)
where:
Base-Base interactions energy: -143.819
where: short stacking energy: -55.329
Base-Backbone interact. energy: -0.782
local terms energy: -82.439041
where:
bonds (distance) C4'-P energy: -23.718
bonds (distance) P-C4' energy: -19.032
flat angles C4'-P-C4' energy: -19.788
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -7.251
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: 5
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -214.025482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.025482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.707817 (E_RNA)
where:
Base-Base interactions energy: -128.111
where: short stacking energy: -58.333
Base-Backbone interact. energy: 0.628
local terms energy: -88.224921
where:
bonds (distance) C4'-P energy: -23.302
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -22.673
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -12.270
Dist. restrs. and SS energy: 1.682 (S_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: 20
Temperature: 1.350000
Total energy: -207.242851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.242851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.040650 (E_RNA)
where:
Base-Base interactions energy: -129.405
where: short stacking energy: -46.568
Base-Backbone interact. energy: -0.561
local terms energy: -80.074882
where:
bonds (distance) C4'-P energy: -20.148
bonds (distance) P-C4' energy: -24.514
flat angles C4'-P-C4' energy: -21.190
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: -7.086
Dist. restrs. and SS energy: 2.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -349.965806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.965806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.306140 (E_RNA)
where:
Base-Base interactions energy: -243.796
where: short stacking energy: -81.673
Base-Backbone interact. energy: -1.258
local terms energy: -106.252313
where:
bonds (distance) C4'-P energy: -19.538
bonds (distance) P-C4' energy: -24.528
flat angles C4'-P-C4' energy: -26.571
flat angles P-C4'-P energy: -14.501
tors. eta vs tors. theta energy: -21.114
Dist. restrs. and SS energy: 1.340 (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: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -329.132621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.132621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.602973 (E_RNA)
where:
Base-Base interactions energy: -228.405
where: short stacking energy: -91.620
Base-Backbone interact. energy: -1.451
local terms energy: -100.747122
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -24.092
flat angles C4'-P-C4' energy: -22.321
flat angles P-C4'-P energy: -18.924
tors. eta vs tors. theta energy: -17.322
Dist. restrs. and SS energy: 1.470 (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: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -331.130323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.130323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.392051 (E_RNA)
where:
Base-Base interactions energy: -225.169
where: short stacking energy: -87.739
Base-Backbone interact. energy: 0.737
local terms energy: -107.960633
where:
bonds (distance) C4'-P energy: -22.052
bonds (distance) P-C4' energy: -22.107
flat angles C4'-P-C4' energy: -22.721
flat angles P-C4'-P energy: -14.897
tors. eta vs tors. theta energy: -26.184
Dist. restrs. and SS energy: 1.262 (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: 4
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -336.879516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.879516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.277204 (E_RNA)
where:
Base-Base interactions energy: -235.369
where: short stacking energy: -90.357
Base-Backbone interact. energy: -0.567
local terms energy: -102.341325
where:
bonds (distance) C4'-P energy: -18.465
bonds (distance) P-C4' energy: -22.024
flat angles C4'-P-C4' energy: -23.652
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -26.950
Dist. restrs. and SS energy: 1.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -290.114998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.114998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.211849 (E_RNA)
where:
Base-Base interactions energy: -205.892
where: short stacking energy: -78.922
Base-Backbone interact. energy: -0.165
local terms energy: -84.155093
where:
bonds (distance) C4'-P energy: -20.573
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -22.728
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -15.359
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: 8
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -273.336071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.336071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.108818 (E_RNA)
where:
Base-Base interactions energy: -182.773
where: short stacking energy: -85.177
Base-Backbone interact. energy: -0.080
local terms energy: -94.255815
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -20.921
flat angles C4'-P-C4' energy: -23.700
flat angles P-C4'-P energy: -17.279
tors. eta vs tors. theta energy: -17.628
Dist. restrs. and SS energy: 3.773 (S_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: -255.329695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.329695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.775833 (E_RNA)
where:
Base-Base interactions energy: -173.651
where: short stacking energy: -75.699
Base-Backbone interact. energy: -0.003
local terms energy: -83.121177
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -20.883
flat angles C4'-P-C4' energy: -18.513
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -17.396
Dist. restrs. and SS energy: 1.446 (S_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: 21
Temperature: 1.250000
Total energy: -227.210037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.210037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.188452 (E_RNA)
where:
Base-Base interactions energy: -145.683
where: short stacking energy: -66.412
Base-Backbone interact. energy: -0.390
local terms energy: -83.115940
where:
bonds (distance) C4'-P energy: -19.497
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -16.773
tors. eta vs tors. theta energy: -13.436
Dist. restrs. and SS energy: 1.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -213.982798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.982798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.351618 (E_RNA)
where:
Base-Base interactions energy: -144.574
where: short stacking energy: -46.939
Base-Backbone interact. energy: -0.302
local terms energy: -70.475298
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -22.925
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -3.499
Dist. restrs. and SS energy: 1.369 (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: 21
Temperature: 1.350000
Total energy: -214.921834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.921834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.743948 (E_RNA)
where:
Base-Base interactions energy: -136.086
where: short stacking energy: -56.595
Base-Backbone interact. energy: -0.459
local terms energy: -81.198822
where:
bonds (distance) C4'-P energy: -22.475
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -16.599
Dist. restrs. and SS energy: 2.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -361.939113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.939113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.143095 (E_RNA)
where:
Base-Base interactions energy: -245.210
where: short stacking energy: -94.332
Base-Backbone interact. energy: -0.412
local terms energy: -116.521946
where:
bonds (distance) C4'-P energy: -22.532
bonds (distance) P-C4' energy: -24.856
flat angles C4'-P-C4' energy: -24.123
flat angles P-C4'-P energy: -13.905
tors. eta vs tors. theta energy: -31.107
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: 2, replica: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -329.664572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.664572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.392433 (E_RNA)
where:
Base-Base interactions energy: -220.075
where: short stacking energy: -83.822
Base-Backbone interact. energy: -0.090
local terms energy: -110.226840
where:
bonds (distance) C4'-P energy: -24.280
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -25.553
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -24.046
Dist. restrs. and SS energy: 0.728 (S_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: 22
Temperature: 1.000000
Total energy: -326.427705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.427705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.792635 (E_RNA)
where:
Base-Base interactions energy: -220.824
where: short stacking energy: -90.443
Base-Backbone interact. energy: -1.234
local terms energy: -105.734634
where:
bonds (distance) C4'-P energy: -21.825
bonds (distance) P-C4' energy: -21.705
flat angles C4'-P-C4' energy: -21.622
flat angles P-C4'-P energy: -15.664
tors. eta vs tors. theta energy: -24.918
Dist. restrs. and SS energy: 1.365 (S_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: 22
Temperature: 1.050000
Total energy: -323.276571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.276571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.960248 (E_RNA)
where:
Base-Base interactions energy: -224.590
where: short stacking energy: -92.936
Base-Backbone interact. energy: -0.085
local terms energy: -99.285863
where:
bonds (distance) C4'-P energy: -20.260
bonds (distance) P-C4' energy: -18.306
flat angles C4'-P-C4' energy: -20.461
flat angles P-C4'-P energy: -15.353
tors. eta vs tors. theta energy: -24.905
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: 5, replica: 8
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -303.717603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.717603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.966365 (E_RNA)
where:
Base-Base interactions energy: -204.897
where: short stacking energy: -92.634
Base-Backbone interact. energy: -0.865
local terms energy: -101.204426
where:
bonds (distance) C4'-P energy: -21.704
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -23.118
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -26.184
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: 6, replica: 10
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -298.089306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.089306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.102815 (E_RNA)
where:
Base-Base interactions energy: -201.684
where: short stacking energy: -81.690
Base-Backbone interact. energy: -0.007
local terms energy: -96.411901
where:
bonds (distance) C4'-P energy: -21.212
bonds (distance) P-C4' energy: -20.722
flat angles C4'-P-C4' energy: -24.108
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -17.555
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: 5
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -222.979117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.979117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.175742 (E_RNA)
where:
Base-Base interactions energy: -144.223
where: short stacking energy: -49.401
Base-Backbone interact. energy: -1.236
local terms energy: -82.716414
where:
bonds (distance) C4'-P energy: -21.367
bonds (distance) P-C4' energy: -21.606
flat angles C4'-P-C4' energy: -21.496
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -5.523
Dist. restrs. and SS energy: 5.197 (S_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: -232.819937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.819937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.823445 (E_RNA)
where:
Base-Base interactions energy: -149.356
where: short stacking energy: -62.688
Base-Backbone interact. energy: -0.247
local terms energy: -87.220820
where:
bonds (distance) C4'-P energy: -20.488
bonds (distance) P-C4' energy: -23.902
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -13.723
Dist. restrs. and SS energy: 4.004 (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: 22
Temperature: 1.300000
Total energy: -252.020095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.020095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.849851 (E_RNA)
where:
Base-Base interactions energy: -174.882
where: short stacking energy: -75.868
Base-Backbone interact. energy: -0.432
local terms energy: -80.535985
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -18.349
flat angles C4'-P-C4' energy: -19.483
flat angles P-C4'-P energy: -14.124
tors. eta vs tors. theta energy: -14.491
Dist. restrs. and SS energy: 3.830 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -226.596907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.596907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.618037 (E_RNA)
where:
Base-Base interactions energy: -155.030
where: short stacking energy: -58.298
Base-Backbone interact. energy: -0.314
local terms energy: -76.274017
where:
bonds (distance) C4'-P energy: -19.030
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -24.237
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -6.788
Dist. restrs. and SS energy: 5.021 (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: 23
Temperature: 0.900000
Total energy: -350.600182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.600182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.264794 (E_RNA)
where:
Base-Base interactions energy: -238.823
where: short stacking energy: -92.164
Base-Backbone interact. energy: -0.374
local terms energy: -112.067633
where:
bonds (distance) C4'-P energy: -26.169
bonds (distance) P-C4' energy: -25.617
flat angles C4'-P-C4' energy: -21.501
flat angles P-C4'-P energy: -13.193
tors. eta vs tors. theta energy: -25.587
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: 2, replica: 2
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -341.035250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.035250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.435612 (E_RNA)
where:
Base-Base interactions energy: -231.057
where: short stacking energy: -100.941
Base-Backbone interact. energy: -0.941
local terms energy: -110.437668
where:
bonds (distance) C4'-P energy: -20.240
bonds (distance) P-C4' energy: -23.356
flat angles C4'-P-C4' energy: -22.514
flat angles P-C4'-P energy: -15.409
tors. eta vs tors. theta energy: -28.919
Dist. restrs. and SS energy: 1.400 (S_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: 23
Temperature: 1.000000
Total energy: -324.925989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.925989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.444826 (E_RNA)
where:
Base-Base interactions energy: -230.442
where: short stacking energy: -83.824
Base-Backbone interact. energy: 0.456
local terms energy: -95.458947
where:
bonds (distance) C4'-P energy: -19.400
bonds (distance) P-C4' energy: -21.892
flat angles C4'-P-C4' energy: -21.420
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -19.849
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: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -330.180158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.180158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.256727 (E_RNA)
where:
Base-Base interactions energy: -224.877
where: short stacking energy: -101.767
Base-Backbone interact. energy: -0.186
local terms energy: -105.194134
where:
bonds (distance) C4'-P energy: -21.118
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -22.049
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -29.264
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: 8
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -282.180726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.180726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.668115 (E_RNA)
where:
Base-Base interactions energy: -183.941
where: short stacking energy: -82.691
Base-Backbone interact. energy: -0.457
local terms energy: -101.270705
where:
bonds (distance) C4'-P energy: -21.303
bonds (distance) P-C4' energy: -24.099
flat angles C4'-P-C4' energy: -20.944
flat angles P-C4'-P energy: -16.143
tors. eta vs tors. theta energy: -18.782
Dist. restrs. and SS energy: 3.487 (S_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: 23
Temperature: 1.150000
Total energy: -287.149951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.149951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.457561 (E_RNA)
where:
Base-Base interactions energy: -186.445
where: short stacking energy: -84.113
Base-Backbone interact. energy: -0.409
local terms energy: -100.602743
where:
bonds (distance) C4'-P energy: -19.764
bonds (distance) P-C4' energy: -23.910
flat angles C4'-P-C4' energy: -18.431
flat angles P-C4'-P energy: -16.338
tors. eta vs tors. theta energy: -22.160
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: 23
Temperature: 1.200000
Total energy: -211.471437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.471437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.297378 (E_RNA)
where:
Base-Base interactions energy: -144.015
where: short stacking energy: -49.344
Base-Backbone interact. energy: -0.144
local terms energy: -70.137767
where:
bonds (distance) C4'-P energy: -17.958
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -2.331
Dist. restrs. and SS energy: 2.826 (S_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: 23
Temperature: 1.250000
Total energy: -253.778761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.778761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.875145 (E_RNA)
where:
Base-Base interactions energy: -168.219
where: short stacking energy: -69.950
Base-Backbone interact. energy: -0.552
local terms energy: -92.104029
where:
bonds (distance) C4'-P energy: -15.673
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -19.053
flat angles P-C4'-P energy: -15.218
tors. eta vs tors. theta energy: -19.780
Dist. restrs. and SS energy: 7.096 (S_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: -227.505989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.505989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.388993 (E_RNA)
where:
Base-Base interactions energy: -155.358
where: short stacking energy: -66.684
Base-Backbone interact. energy: -0.690
local terms energy: -72.340998
where:
bonds (distance) C4'-P energy: -22.164
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -13.955
tors. eta vs tors. theta energy: -8.570
Dist. restrs. and SS energy: 0.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -214.689376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.689376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.686367 (E_RNA)
where:
Base-Base interactions energy: -141.842
where: short stacking energy: -52.389
Base-Backbone interact. energy: 4.272
local terms energy: -82.116401
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -22.138
flat angles C4'-P-C4' energy: -23.490
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -8.365
Dist. restrs. and SS energy: 4.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -349.814540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.814540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.664711 (E_RNA)
where:
Base-Base interactions energy: -235.656
where: short stacking energy: -94.841
Base-Backbone interact. energy: -1.585
local terms energy: -114.423667
where:
bonds (distance) C4'-P energy: -21.045
bonds (distance) P-C4' energy: -25.606
flat angles C4'-P-C4' energy: -23.566
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -30.470
Dist. restrs. and SS energy: 1.850 (S_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: -349.515522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.515522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.054420 (E_RNA)
where:
Base-Base interactions energy: -235.360
where: short stacking energy: -92.656
Base-Backbone interact. energy: 1.653
local terms energy: -117.348026
where:
bonds (distance) C4'-P energy: -22.950
bonds (distance) P-C4' energy: -26.057
flat angles C4'-P-C4' energy: -26.569
flat angles P-C4'-P energy: -17.664
tors. eta vs tors. theta energy: -24.108
Dist. restrs. and SS energy: 1.539 (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: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -340.324076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.324076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.336525 (E_RNA)
where:
Base-Base interactions energy: -230.820
where: short stacking energy: -89.963
Base-Backbone interact. energy: 0.620
local terms energy: -110.135950
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -25.487
flat angles C4'-P-C4' energy: -24.066
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: -27.669
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: 4
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -328.439145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.439145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.917880 (E_RNA)
where:
Base-Base interactions energy: -224.040
where: short stacking energy: -103.423
Base-Backbone interact. energy: -0.180
local terms energy: -105.697755
where:
bonds (distance) C4'-P energy: -22.247
bonds (distance) P-C4' energy: -23.217
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -15.063
tors. eta vs tors. theta energy: -29.071
Dist. restrs. and SS energy: 1.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -291.276122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.276122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.380855 (E_RNA)
where:
Base-Base interactions energy: -197.162
where: short stacking energy: -83.588
Base-Backbone interact. energy: -0.261
local terms energy: -93.957854
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -20.866
flat angles C4'-P-C4' energy: -22.041
flat angles P-C4'-P energy: -13.365
tors. eta vs tors. theta energy: -22.429
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: 6, replica: 8
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -307.963538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.963538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.607278 (E_RNA)
where:
Base-Base interactions energy: -209.175
where: short stacking energy: -93.669
Base-Backbone interact. energy: 0.068
local terms energy: -102.499908
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -22.588
flat angles C4'-P-C4' energy: -24.140
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -29.249
Dist. restrs. and SS energy: 3.644 (S_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: 24
Temperature: 1.200000
Total energy: -266.011880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.011880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.530553 (E_RNA)
where:
Base-Base interactions energy: -177.460
where: short stacking energy: -75.037
Base-Backbone interact. energy: -2.319
local terms energy: -88.751290
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -23.423
flat angles C4'-P-C4' energy: -19.695
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -21.127
Dist. restrs. and SS energy: 2.519 (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: 5
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -230.532148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.532148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.462953 (E_RNA)
where:
Base-Base interactions energy: -143.724
where: short stacking energy: -54.362
Base-Backbone interact. energy: -0.139
local terms energy: -87.600275
where:
bonds (distance) C4'-P energy: -22.380
bonds (distance) P-C4' energy: -23.342
flat angles C4'-P-C4' energy: -20.917
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -10.098
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: 9, replica: 9
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -226.437079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.437079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.514732 (E_RNA)
where:
Base-Base interactions energy: -142.907
where: short stacking energy: -55.125
Base-Backbone interact. energy: -0.653
local terms energy: -88.954267
where:
bonds (distance) C4'-P energy: -22.624
bonds (distance) P-C4' energy: -20.288
flat angles C4'-P-C4' energy: -19.169
flat angles P-C4'-P energy: -17.135
tors. eta vs tors. theta energy: -9.738
Dist. restrs. and SS energy: 6.078 (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: 7
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -232.199093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.199093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.088575 (E_RNA)
where:
Base-Base interactions energy: -147.600
where: short stacking energy: -54.104
Base-Backbone interact. energy: -0.125
local terms energy: -89.362722
where:
bonds (distance) C4'-P energy: -17.278
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -23.236
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: -18.438
Dist. restrs. and SS energy: 4.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -354.268290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.268290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.279847 (E_RNA)
where:
Base-Base interactions energy: -250.978
where: short stacking energy: -87.868
Base-Backbone interact. energy: -0.380
local terms energy: -103.922250
where:
bonds (distance) C4'-P energy: -20.196
bonds (distance) P-C4' energy: -20.640
flat angles C4'-P-C4' energy: -21.906
flat angles P-C4'-P energy: -15.550
tors. eta vs tors. theta energy: -25.630
Dist. restrs. and SS energy: 1.012 (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: 2
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -347.660276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.660276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.548353 (E_RNA)
where:
Base-Base interactions energy: -241.990
where: short stacking energy: -101.827
Base-Backbone interact. energy: -0.449
local terms energy: -106.108773
where:
bonds (distance) C4'-P energy: -22.375
bonds (distance) P-C4' energy: -21.984
flat angles C4'-P-C4' energy: -21.334
flat angles P-C4'-P energy: -17.560
tors. eta vs tors. theta energy: -22.855
Dist. restrs. and SS energy: 0.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -345.043020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.043020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.107611 (E_RNA)
where:
Base-Base interactions energy: -237.011
where: short stacking energy: -93.779
Base-Backbone interact. energy: 1.417
local terms energy: -110.513605
where:
bonds (distance) C4'-P energy: -21.497
bonds (distance) P-C4' energy: -25.406
flat angles C4'-P-C4' energy: -24.361
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -28.014
Dist. restrs. and SS energy: 1.065 (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: 4
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -323.150555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.150555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.811063 (E_RNA)
where:
Base-Base interactions energy: -221.377
where: short stacking energy: -87.395
Base-Backbone interact. energy: -0.432
local terms energy: -102.001964
where:
bonds (distance) C4'-P energy: -19.093
bonds (distance) P-C4' energy: -23.511
flat angles C4'-P-C4' energy: -21.581
flat angles P-C4'-P energy: -14.659
tors. eta vs tors. theta energy: -23.157
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: 5, replica: 10
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -316.088467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.088467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.340706 (E_RNA)
where:
Base-Base interactions energy: -212.827
where: short stacking energy: -83.203
Base-Backbone interact. energy: -0.437
local terms energy: -103.076783
where:
bonds (distance) C4'-P energy: -19.833
bonds (distance) P-C4' energy: -23.607
flat angles C4'-P-C4' energy: -23.612
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -25.701
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: 6, replica: 8
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -281.347377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.347377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.997747 (E_RNA)
where:
Base-Base interactions energy: -188.869
where: short stacking energy: -76.355
Base-Backbone interact. energy: -0.308
local terms energy: -94.820245
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -20.464
flat angles C4'-P-C4' energy: -23.140
flat angles P-C4'-P energy: -15.195
tors. eta vs tors. theta energy: -21.169
Dist. restrs. and SS energy: 2.650 (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: 1
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -278.319929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.319929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.560898 (E_RNA)
where:
Base-Base interactions energy: -194.750
where: short stacking energy: -82.122
Base-Backbone interact. energy: -0.218
local terms energy: -87.593142
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -18.810
flat angles C4'-P-C4' energy: -22.041
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -20.510
Dist. restrs. and SS energy: 4.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -274.094820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.094820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.681806 (E_RNA)
where:
Base-Base interactions energy: -199.057
where: short stacking energy: -84.665
Base-Backbone interact. energy: -0.666
local terms energy: -74.958881
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -22.883
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: -19.591
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: 9, replica: 9
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -217.308152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.308152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.733203 (E_RNA)
where:
Base-Base interactions energy: -134.253
where: short stacking energy: -57.512
Base-Backbone interact. energy: -0.497
local terms energy: -87.982778
where:
bonds (distance) C4'-P energy: -20.089
bonds (distance) P-C4' energy: -21.436
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -17.037
tors. eta vs tors. theta energy: -12.737
Dist. restrs. and SS energy: 5.425 (S_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: -222.517777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.517777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.796633 (E_RNA)
where:
Base-Base interactions energy: -153.722
where: short stacking energy: -64.659
Base-Backbone interact. energy: -0.257
local terms energy: -72.817826
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -19.867
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -12.947
Dist. restrs. and SS energy: 4.279 (S_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: 26
Temperature: 0.900000
Total energy: -361.502088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.502088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.113380 (E_RNA)
where:
Base-Base interactions energy: -253.304
where: short stacking energy: -97.605
Base-Backbone interact. energy: -0.216
local terms energy: -108.593373
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -23.558
flat angles C4'-P-C4' energy: -25.713
flat angles P-C4'-P energy: -15.085
tors. eta vs tors. theta energy: -27.416
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: 2, replica: 6
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -356.050261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.050261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.171494 (E_RNA)
where:
Base-Base interactions energy: -241.114
where: short stacking energy: -104.059
Base-Backbone interact. energy: 2.615
local terms energy: -118.673257
where:
bonds (distance) C4'-P energy: -23.241
bonds (distance) P-C4' energy: -27.585
flat angles C4'-P-C4' energy: -22.247
flat angles P-C4'-P energy: -18.122
tors. eta vs tors. theta energy: -27.478
Dist. restrs. and SS energy: 1.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -333.757028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.757028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.790946 (E_RNA)
where:
Base-Base interactions energy: -235.365
where: short stacking energy: -95.920
Base-Backbone interact. energy: 0.256
local terms energy: -101.682250
where:
bonds (distance) C4'-P energy: -20.496
bonds (distance) P-C4' energy: -19.162
flat angles C4'-P-C4' energy: -24.956
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -24.593
Dist. restrs. and SS energy: 3.034 (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: 4
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -329.631326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.631326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.699435 (E_RNA)
where:
Base-Base interactions energy: -218.454
where: short stacking energy: -93.996
Base-Backbone interact. energy: -0.589
local terms energy: -111.655823
where:
bonds (distance) C4'-P energy: -20.789
bonds (distance) P-C4' energy: -21.056
flat angles C4'-P-C4' energy: -20.952
flat angles P-C4'-P energy: -17.884
tors. eta vs tors. theta energy: -30.975
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: 5, replica: 10
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -302.821568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.821568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.873141 (E_RNA)
where:
Base-Base interactions energy: -202.169
where: short stacking energy: -72.485
Base-Backbone interact. energy: -2.602
local terms energy: -98.102478
where:
bonds (distance) C4'-P energy: -19.151
bonds (distance) P-C4' energy: -21.453
flat angles C4'-P-C4' energy: -25.705
flat angles P-C4'-P energy: -14.534
tors. eta vs tors. theta energy: -17.260
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: 8
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -261.581005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.581005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.548633 (E_RNA)
where:
Base-Base interactions energy: -177.111
where: short stacking energy: -71.643
Base-Backbone interact. energy: -0.408
local terms energy: -85.029768
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -20.824
flat angles C4'-P-C4' energy: -23.228
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -13.739
Dist. restrs. and SS energy: 0.968 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -259.868534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.868534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.566230 (E_RNA)
where:
Base-Base interactions energy: -178.153
where: short stacking energy: -74.031
Base-Backbone interact. energy: -0.373
local terms energy: -87.039526
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -20.737
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -14.593
tors. eta vs tors. theta energy: -16.109
Dist. restrs. and SS energy: 5.698 (S_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: 26
Temperature: 1.250000
Total energy: -248.406491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.406491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.999264 (E_RNA)
where:
Base-Base interactions energy: -163.871
where: short stacking energy: -71.395
Base-Backbone interact. energy: -0.324
local terms energy: -87.804346
where:
bonds (distance) C4'-P energy: -22.280
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -17.046
tors. eta vs tors. theta energy: -18.484
Dist. restrs. and SS energy: 3.593 (S_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: -243.519097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.519097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.811736 (E_RNA)
where:
Base-Base interactions energy: -171.767
where: short stacking energy: -73.456
Base-Backbone interact. energy: -0.322
local terms energy: -80.723535
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -20.793
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -12.345
Dist. restrs. and SS energy: 9.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -197.978440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.978440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.553604 (E_RNA)
where:
Base-Base interactions energy: -127.730
where: short stacking energy: -47.299
Base-Backbone interact. energy: -0.878
local terms energy: -74.945121
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -8.772
Dist. restrs. and SS energy: 5.575 (S_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: 27
Temperature: 0.900000
Total energy: -371.669722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.669722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.826666 (E_RNA)
where:
Base-Base interactions energy: -259.354
where: short stacking energy: -103.115
Base-Backbone interact. energy: -0.401
local terms energy: -112.070916
where:
bonds (distance) C4'-P energy: -18.807
bonds (distance) P-C4' energy: -22.323
flat angles C4'-P-C4' energy: -23.379
flat angles P-C4'-P energy: -16.369
tors. eta vs tors. theta energy: -31.194
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: 6
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -355.305178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.305178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.673259 (E_RNA)
where:
Base-Base interactions energy: -238.076
where: short stacking energy: -101.645
Base-Backbone interact. energy: -0.047
local terms energy: -118.549870
where:
bonds (distance) C4'-P energy: -23.945
bonds (distance) P-C4' energy: -23.082
flat angles C4'-P-C4' energy: -22.614
flat angles P-C4'-P energy: -18.118
tors. eta vs tors. theta energy: -30.791
Dist. restrs. and SS energy: 1.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -314.712780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.712780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.697882 (E_RNA)
where:
Base-Base interactions energy: -213.963
where: short stacking energy: -81.548
Base-Backbone interact. energy: 0.613
local terms energy: -104.347741
where:
bonds (distance) C4'-P energy: -21.043
bonds (distance) P-C4' energy: -23.905
flat angles C4'-P-C4' energy: -20.266
flat angles P-C4'-P energy: -13.642
tors. eta vs tors. theta energy: -25.491
Dist. restrs. and SS energy: 2.985 (S_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: -318.282016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.282016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.037552 (E_RNA)
where:
Base-Base interactions energy: -214.579
where: short stacking energy: -87.690
Base-Backbone interact. energy: 1.616
local terms energy: -107.074334
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -22.815
flat angles C4'-P-C4' energy: -24.644
flat angles P-C4'-P energy: -20.662
tors. eta vs tors. theta energy: -26.684
Dist. restrs. and SS energy: 1.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -297.148861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.148861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.250160 (E_RNA)
where:
Base-Base interactions energy: -204.317
where: short stacking energy: -71.157
Base-Backbone interact. energy: -0.351
local terms energy: -92.582807
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -20.463
flat angles C4'-P-C4' energy: -21.786
flat angles P-C4'-P energy: -18.413
tors. eta vs tors. theta energy: -15.825
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: 6, replica: 5
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -302.399229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.399229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.125032 (E_RNA)
where:
Base-Base interactions energy: -213.083
where: short stacking energy: -71.196
Base-Backbone interact. energy: -0.338
local terms energy: -90.703625
where:
bonds (distance) C4'-P energy: -22.265
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -18.933
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -20.009
Dist. restrs. and SS energy: 1.726 (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: 8
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -264.786188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.786188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.279542 (E_RNA)
where:
Base-Base interactions energy: -177.263
where: short stacking energy: -80.429
Base-Backbone interact. energy: -1.462
local terms energy: -93.554716
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -23.972
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -24.390
Dist. restrs. and SS energy: 7.493 (S_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: -264.374397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.374397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.343064 (E_RNA)
where:
Base-Base interactions energy: -177.603
where: short stacking energy: -72.417
Base-Backbone interact. energy: 0.032
local terms energy: -90.772412
where:
bonds (distance) C4'-P energy: -22.392
bonds (distance) P-C4' energy: -23.322
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -18.716
Dist. restrs. and SS energy: 3.969 (S_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: 27
Temperature: 1.300000
Total energy: -261.496854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.496854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.814708 (E_RNA)
where:
Base-Base interactions energy: -173.277
where: short stacking energy: -80.176
Base-Backbone interact. energy: -0.134
local terms energy: -92.403304
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -22.140
flat angles C4'-P-C4' energy: -25.652
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: -16.552
Dist. restrs. and SS energy: 4.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -218.172893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.172893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.330949 (E_RNA)
where:
Base-Base interactions energy: -132.989
where: short stacking energy: -55.289
Base-Backbone interact. energy: -0.722
local terms energy: -87.619863
where:
bonds (distance) C4'-P energy: -23.829
bonds (distance) P-C4' energy: -19.669
flat angles C4'-P-C4' energy: -18.969
flat angles P-C4'-P energy: -14.169
tors. eta vs tors. theta energy: -10.984
Dist. restrs. and SS energy: 3.158 (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: 2
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -355.110340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.110340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.234149 (E_RNA)
where:
Base-Base interactions energy: -246.514
where: short stacking energy: -95.791
Base-Backbone interact. energy: -1.076
local terms energy: -107.644758
where:
bonds (distance) C4'-P energy: -18.607
bonds (distance) P-C4' energy: -21.515
flat angles C4'-P-C4' energy: -24.245
flat angles P-C4'-P energy: -14.828
tors. eta vs tors. theta energy: -28.449
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: 6
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -346.338714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.338714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.754141 (E_RNA)
where:
Base-Base interactions energy: -236.356
where: short stacking energy: -94.637
Base-Backbone interact. energy: -0.875
local terms energy: -109.523755
where:
bonds (distance) C4'-P energy: -19.396
bonds (distance) P-C4' energy: -20.176
flat angles C4'-P-C4' energy: -24.954
flat angles P-C4'-P energy: -18.974
tors. eta vs tors. theta energy: -26.024
Dist. restrs. and SS energy: 0.415 (S_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: 28
Temperature: 1.000000
Total energy: -320.403228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.403228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.931187 (E_RNA)
where:
Base-Base interactions energy: -208.031
where: short stacking energy: -86.217
Base-Backbone interact. energy: -0.204
local terms energy: -113.695816
where:
bonds (distance) C4'-P energy: -22.578
bonds (distance) P-C4' energy: -25.646
flat angles C4'-P-C4' energy: -20.326
flat angles P-C4'-P energy: -19.137
tors. eta vs tors. theta energy: -26.009
Dist. restrs. and SS energy: 1.528 (S_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: 28
Temperature: 1.050000
Total energy: -313.567500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.567500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.592725 (E_RNA)
where:
Base-Base interactions energy: -214.399
where: short stacking energy: -82.378
Base-Backbone interact. energy: 0.190
local terms energy: -101.383480
where:
bonds (distance) C4'-P energy: -21.815
bonds (distance) P-C4' energy: -22.011
flat angles C4'-P-C4' energy: -18.205
flat angles P-C4'-P energy: -13.713
tors. eta vs tors. theta energy: -25.640
Dist. restrs. and SS energy: 2.025 (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: 10
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -307.438283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.438283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.909756 (E_RNA)
where:
Base-Base interactions energy: -210.634
where: short stacking energy: -85.777
Base-Backbone interact. energy: 1.956
local terms energy: -99.231123
where:
bonds (distance) C4'-P energy: -19.176
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -21.272
flat angles P-C4'-P energy: -13.386
tors. eta vs tors. theta energy: -23.024
Dist. restrs. and SS energy: 0.471 (S_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: 28
Temperature: 1.150000
Total energy: -300.118254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.118254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.911237 (E_RNA)
where:
Base-Base interactions energy: -198.303
where: short stacking energy: -88.288
Base-Backbone interact. energy: 0.619
local terms energy: -103.227268
where:
bonds (distance) C4'-P energy: -26.615
bonds (distance) P-C4' energy: -17.825
flat angles C4'-P-C4' energy: -21.419
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -27.223
Dist. restrs. and SS energy: 0.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -271.253747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.253747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.629651 (E_RNA)
where:
Base-Base interactions energy: -187.103
where: short stacking energy: -82.727
Base-Backbone interact. energy: 0.296
local terms energy: -86.822551
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -20.703
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -14.560
tors. eta vs tors. theta energy: -16.392
Dist. restrs. and SS energy: 2.376 (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: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -272.524824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.524824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.797618 (E_RNA)
where:
Base-Base interactions energy: -180.546
where: short stacking energy: -65.713
Base-Backbone interact. energy: -0.291
local terms energy: -92.961136
where:
bonds (distance) C4'-P energy: -19.532
bonds (distance) P-C4' energy: -18.121
flat angles C4'-P-C4' energy: -21.726
flat angles P-C4'-P energy: -15.585
tors. eta vs tors. theta energy: -17.997
Dist. restrs. and SS energy: 1.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -264.468053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.468053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.603076 (E_RNA)
where:
Base-Base interactions energy: -178.717
where: short stacking energy: -66.535
Base-Backbone interact. energy: 0.514
local terms energy: -89.400606
where:
bonds (distance) C4'-P energy: -25.960
bonds (distance) P-C4' energy: -23.954
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -13.610
Dist. restrs. and SS energy: 3.135 (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: 28
Temperature: 1.350000
Total energy: -249.870565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.870565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.611634 (E_RNA)
where:
Base-Base interactions energy: -174.841
where: short stacking energy: -78.511
Base-Backbone interact. energy: 0.711
local terms energy: -82.480720
where:
bonds (distance) C4'-P energy: -21.982
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -7.150
tors. eta vs tors. theta energy: -21.078
Dist. restrs. and SS energy: 6.741 (S_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: 29
Temperature: 0.900000
Total energy: -348.003072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.003072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.289834 (E_RNA)
where:
Base-Base interactions energy: -242.838
where: short stacking energy: -106.982
Base-Backbone interact. energy: 0.750
local terms energy: -107.202082
where:
bonds (distance) C4'-P energy: -24.346
bonds (distance) P-C4' energy: -19.755
flat angles C4'-P-C4' energy: -22.061
flat angles P-C4'-P energy: -15.547
tors. eta vs tors. theta energy: -25.493
Dist. restrs. and SS energy: 1.287 (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: 6
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -349.149489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.149489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.701195 (E_RNA)
where:
Base-Base interactions energy: -243.723
where: short stacking energy: -101.476
Base-Backbone interact. energy: -0.354
local terms energy: -106.624087
where:
bonds (distance) C4'-P energy: -25.451
bonds (distance) P-C4' energy: -18.062
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -16.121
tors. eta vs tors. theta energy: -29.186
Dist. restrs. and SS energy: 1.552 (S_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: 29
Temperature: 1.000000
Total energy: -326.549351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.549351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.099162 (E_RNA)
where:
Base-Base interactions energy: -229.564
where: short stacking energy: -86.232
Base-Backbone interact. energy: -0.469
local terms energy: -99.066264
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -23.197
flat angles C4'-P-C4' energy: -23.096
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -21.757
Dist. restrs. and SS energy: 2.550 (S_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: 29
Temperature: 1.050000
Total energy: -317.159746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.159746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.017721 (E_RNA)
where:
Base-Base interactions energy: -216.990
where: short stacking energy: -84.521
Base-Backbone interact. energy: 1.063
local terms energy: -103.091283
where:
bonds (distance) C4'-P energy: -21.313
bonds (distance) P-C4' energy: -22.071
flat angles C4'-P-C4' energy: -20.823
flat angles P-C4'-P energy: -17.818
tors. eta vs tors. theta energy: -21.067
Dist. restrs. and SS energy: 1.858 (S_DIST_RNA)
chem. 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: -312.709537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.709537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.455039 (E_RNA)
where:
Base-Base interactions energy: -212.032
where: short stacking energy: -84.836
Base-Backbone interact. energy: -0.740
local terms energy: -100.683893
where:
bonds (distance) C4'-P energy: -24.169
bonds (distance) P-C4' energy: -21.651
flat angles C4'-P-C4' energy: -19.646
flat angles P-C4'-P energy: -14.311
tors. eta vs tors. theta energy: -20.907
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: 6, replica: 5
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -302.696867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.696867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.468448 (E_RNA)
where:
Base-Base interactions energy: -206.570
where: short stacking energy: -79.584
Base-Backbone interact. energy: -1.207
local terms energy: -95.690796
where:
bonds (distance) C4'-P energy: -23.687
bonds (distance) P-C4' energy: -21.153
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -16.375
tors. eta vs tors. theta energy: -19.304
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: 7, replica: 7
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -270.134872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.134872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.637796 (E_RNA)
where:
Base-Base interactions energy: -181.158
where: short stacking energy: -82.178
Base-Backbone interact. energy: 0.273
local terms energy: -92.753277
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -20.322
flat angles C4'-P-C4' energy: -23.700
flat angles P-C4'-P energy: -15.966
tors. eta vs tors. theta energy: -17.343
Dist. restrs. and SS energy: 3.503 (S_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: 29
Temperature: 1.250000
Total energy: -272.338401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.338401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.533962 (E_RNA)
where:
Base-Base interactions energy: -183.264
where: short stacking energy: -73.248
Base-Backbone interact. energy: -0.591
local terms energy: -88.678631
where:
bonds (distance) C4'-P energy: -20.935
bonds (distance) P-C4' energy: -21.335
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -17.604
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: 9, replica: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -238.988933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.988933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.535823 (E_RNA)
where:
Base-Base interactions energy: -157.103
where: short stacking energy: -62.833
Base-Backbone interact. energy: -2.021
local terms energy: -84.411893
where:
bonds (distance) C4'-P energy: -21.284
bonds (distance) P-C4' energy: -19.801
flat angles C4'-P-C4' energy: -19.945
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -13.221
Dist. restrs. and SS energy: 4.547 (S_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: 29
Temperature: 1.350000
Total energy: -240.221890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.221890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.518017 (E_RNA)
where:
Base-Base interactions energy: -159.925
where: short stacking energy: -61.823
Base-Backbone interact. energy: -0.174
local terms energy: -83.418252
where:
bonds (distance) C4'-P energy: -20.848
bonds (distance) P-C4' energy: -12.006
flat angles C4'-P-C4' energy: -23.712
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -13.695
Dist. restrs. and SS energy: 3.296 (S_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: 30
Temperature: 0.900000
Total energy: -363.779651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.779651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.962657 (E_RNA)
where:
Base-Base interactions energy: -253.722
where: short stacking energy: -108.038
Base-Backbone interact. energy: -0.287
local terms energy: -110.953330
where:
bonds (distance) C4'-P energy: -21.667
bonds (distance) P-C4' energy: -22.741
flat angles C4'-P-C4' energy: -22.213
flat angles P-C4'-P energy: -13.629
tors. eta vs tors. theta energy: -30.702
Dist. restrs. and SS energy: 1.183 (S_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: -349.269493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.269493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.743352 (E_RNA)
where:
Base-Base interactions energy: -249.092
where: short stacking energy: -97.425
Base-Backbone interact. energy: -0.675
local terms energy: -100.976922
where:
bonds (distance) C4'-P energy: -19.213
bonds (distance) P-C4' energy: -21.220
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -15.769
tors. eta vs tors. theta energy: -27.276
Dist. restrs. and SS energy: 1.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -317.128580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.128580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.872799 (E_RNA)
where:
Base-Base interactions energy: -215.007
where: short stacking energy: -78.096
Base-Backbone interact. energy: -0.997
local terms energy: -101.869558
where:
bonds (distance) C4'-P energy: -19.785
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -25.009
flat angles P-C4'-P energy: -18.278
tors. eta vs tors. theta energy: -22.018
Dist. restrs. and SS energy: 0.744 (S_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: 30
Temperature: 1.050000
Total energy: -315.371554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.371554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.561816 (E_RNA)
where:
Base-Base interactions energy: -211.354
where: short stacking energy: -83.126
Base-Backbone interact. energy: -2.583
local terms energy: -101.624761
where:
bonds (distance) C4'-P energy: -25.598
bonds (distance) P-C4' energy: -22.629
flat angles C4'-P-C4' energy: -22.732
flat angles P-C4'-P energy: -14.771
tors. eta vs tors. theta energy: -15.895
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: 10
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -319.270649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.270649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.606679 (E_RNA)
where:
Base-Base interactions energy: -210.373
where: short stacking energy: -84.787
Base-Backbone interact. energy: -0.437
local terms energy: -108.797082
where:
bonds (distance) C4'-P energy: -24.039
bonds (distance) P-C4' energy: -25.308
flat angles C4'-P-C4' energy: -20.473
flat angles P-C4'-P energy: -14.313
tors. eta vs tors. theta energy: -24.664
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: 5
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -277.138937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.138937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.259392 (E_RNA)
where:
Base-Base interactions energy: -192.501
where: short stacking energy: -74.073
Base-Backbone interact. energy: -0.009
local terms energy: -85.749037
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -23.176
flat angles C4'-P-C4' energy: -20.672
flat angles P-C4'-P energy: -17.167
tors. eta vs tors. theta energy: -10.446
Dist. restrs. and SS energy: 1.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -292.411584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.411584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.422908 (E_RNA)
where:
Base-Base interactions energy: -210.554
where: short stacking energy: -82.331
Base-Backbone interact. energy: -1.351
local terms energy: -83.517728
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -19.059
flat angles P-C4'-P energy: -14.451
tors. eta vs tors. theta energy: -20.431
Dist. restrs. and SS energy: 3.011 (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: 30
Temperature: 1.250000
Total energy: -264.323575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.323575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.063241 (E_RNA)
where:
Base-Base interactions energy: -172.629
where: short stacking energy: -77.863
Base-Backbone interact. energy: -0.071
local terms energy: -93.362890
where:
bonds (distance) C4'-P energy: -20.115
bonds (distance) P-C4' energy: -19.468
flat angles C4'-P-C4' energy: -19.395
flat angles P-C4'-P energy: -15.880
tors. eta vs tors. theta energy: -18.506
Dist. restrs. and SS energy: 1.740 (S_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: 30
Temperature: 1.300000
Total energy: -229.583897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.583897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.549033 (E_RNA)
where:
Base-Base interactions energy: -150.023
where: short stacking energy: -56.552
Base-Backbone interact. energy: -1.182
local terms energy: -79.344248
where:
bonds (distance) C4'-P energy: -18.157
bonds (distance) P-C4' energy: -18.765
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -14.573
tors. eta vs tors. theta energy: -12.586
Dist. restrs. and SS energy: 0.965 (S_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: 30
Temperature: 1.350000
Total energy: -235.809086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.809086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.024331 (E_RNA)
where:
Base-Base interactions energy: -162.201
where: short stacking energy: -77.405
Base-Backbone interact. energy: -0.680
local terms energy: -76.143646
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -20.660
Dist. restrs. and SS energy: 3.215 (S_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: 31
Temperature: 0.900000
Total energy: -354.680579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.680579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.499690 (E_RNA)
where:
Base-Base interactions energy: -234.870
where: short stacking energy: -102.109
Base-Backbone interact. energy: -0.231
local terms energy: -120.398581
where:
bonds (distance) C4'-P energy: -22.897
bonds (distance) P-C4' energy: -23.543
flat angles C4'-P-C4' energy: -24.094
flat angles P-C4'-P energy: -20.755
tors. eta vs tors. theta energy: -29.109
Dist. restrs. and SS energy: 0.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -353.726940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.726940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.038752 (E_RNA)
where:
Base-Base interactions energy: -254.062
where: short stacking energy: -100.501
Base-Backbone interact. energy: -1.640
local terms energy: -99.337629
where:
bonds (distance) C4'-P energy: -19.821
bonds (distance) P-C4' energy: -21.703
flat angles C4'-P-C4' energy: -19.201
flat angles P-C4'-P energy: -14.142
tors. eta vs tors. theta energy: -24.471
Dist. restrs. and SS energy: 1.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -334.893178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.893178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.091974 (E_RNA)
where:
Base-Base interactions energy: -233.818
where: short stacking energy: -93.480
Base-Backbone interact. energy: -0.206
local terms energy: -101.067690
where:
bonds (distance) C4'-P energy: -19.992
bonds (distance) P-C4' energy: -23.676
flat angles C4'-P-C4' energy: -21.516
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -24.251
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: 10
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -337.687848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.687848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.955550 (E_RNA)
where:
Base-Base interactions energy: -239.220
where: short stacking energy: -91.817
Base-Backbone interact. energy: -1.359
local terms energy: -98.376528
where:
bonds (distance) C4'-P energy: -22.662
bonds (distance) P-C4' energy: -21.963
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -25.716
Dist. restrs. and SS energy: 1.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -301.000236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.000236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.003066 (E_RNA)
where:
Base-Base interactions energy: -208.127
where: short stacking energy: -74.800
Base-Backbone interact. energy: -0.598
local terms energy: -95.277663
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -23.114
flat angles C4'-P-C4' energy: -21.517
flat angles P-C4'-P energy: -15.751
tors. eta vs tors. theta energy: -20.218
Dist. restrs. and SS energy: 3.003 (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: 9
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -320.584920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.584920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.663186 (E_RNA)
where:
Base-Base interactions energy: -216.366
where: short stacking energy: -86.495
Base-Backbone interact. energy: -0.762
local terms energy: -103.534784
where:
bonds (distance) C4'-P energy: -24.478
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -23.798
flat angles P-C4'-P energy: -15.195
tors. eta vs tors. theta energy: -24.567
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: 5
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -263.983023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.983023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.645122 (E_RNA)
where:
Base-Base interactions energy: -167.512
where: short stacking energy: -69.244
Base-Backbone interact. energy: 1.951
local terms energy: -99.084273
where:
bonds (distance) C4'-P energy: -23.298
bonds (distance) P-C4' energy: -22.690
flat angles C4'-P-C4' energy: -24.386
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -15.092
Dist. restrs. and SS energy: 0.662 (S_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: 31
Temperature: 1.250000
Total energy: -273.036509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.036509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.015275 (E_RNA)
where:
Base-Base interactions energy: -188.578
where: short stacking energy: -74.028
Base-Backbone interact. energy: -0.451
local terms energy: -86.986118
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -21.701
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -22.872
Dist. restrs. and SS energy: 2.979 (S_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: 31
Temperature: 1.300000
Total energy: -264.188486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.188486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.202913 (E_RNA)
where:
Base-Base interactions energy: -175.123
where: short stacking energy: -66.762
Base-Backbone interact. energy: 1.704
local terms energy: -91.783763
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -19.138
flat angles P-C4'-P energy: -16.886
tors. eta vs tors. theta energy: -20.114
Dist. restrs. and SS energy: 1.014 (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: 31
Temperature: 1.350000
Total energy: -237.951858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.951858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.000407 (E_RNA)
where:
Base-Base interactions energy: -158.612
where: short stacking energy: -71.940
Base-Backbone interact. energy: 3.779
local terms energy: -87.166575
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -20.601
flat angles C4'-P-C4' energy: -23.448
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -15.589
Dist. restrs. and SS energy: 4.049 (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: 32
Temperature: 0.900000
Total energy: -360.584891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.584891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.000339 (E_RNA)
where:
Base-Base interactions energy: -261.132
where: short stacking energy: -98.945
Base-Backbone interact. energy: -2.630
local terms energy: -98.237788
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -19.043
flat angles C4'-P-C4' energy: -22.979
flat angles P-C4'-P energy: -16.646
tors. eta vs tors. theta energy: -24.410
Dist. restrs. and SS energy: 1.415 (S_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: 32
Temperature: 0.950000
Total energy: -338.103269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.103269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.052229 (E_RNA)
where:
Base-Base interactions energy: -236.329
where: short stacking energy: -94.660
Base-Backbone interact. energy: -1.048
local terms energy: -102.675073
where:
bonds (distance) C4'-P energy: -19.465
bonds (distance) P-C4' energy: -21.192
flat angles C4'-P-C4' energy: -24.705
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -25.055
Dist. restrs. and SS energy: 1.949 (S_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: 32
Temperature: 1.000000
Total energy: -346.758322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.758322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.683533 (E_RNA)
where:
Base-Base interactions energy: -236.362
where: short stacking energy: -95.602
Base-Backbone interact. energy: -1.028
local terms energy: -110.293710
where:
bonds (distance) C4'-P energy: -20.727
bonds (distance) P-C4' energy: -24.310
flat angles C4'-P-C4' energy: -22.600
flat angles P-C4'-P energy: -14.173
tors. eta vs tors. theta energy: -28.484
Dist. restrs. and SS energy: 0.925 (S_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: 32
Temperature: 1.050000
Total energy: -320.099857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.099857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.164156 (E_RNA)
where:
Base-Base interactions energy: -230.639
where: short stacking energy: -99.033
Base-Backbone interact. energy: -0.233
local terms energy: -91.292212
where:
bonds (distance) C4'-P energy: -20.214
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -17.698
tors. eta vs tors. theta energy: -26.547
Dist. restrs. and SS energy: 2.064 (S_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: 32
Temperature: 1.100000
Total energy: -317.642034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.642034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.139864 (E_RNA)
where:
Base-Base interactions energy: -226.313
where: short stacking energy: -85.346
Base-Backbone interact. energy: -0.398
local terms energy: -93.428707
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -21.772
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -12.745
tors. eta vs tors. theta energy: -24.295
Dist. restrs. and SS energy: 2.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -271.614733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.614733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.714576 (E_RNA)
where:
Base-Base interactions energy: -183.212
where: short stacking energy: -75.144
Base-Backbone interact. energy: -0.417
local terms energy: -89.084911
where:
bonds (distance) C4'-P energy: -22.825
bonds (distance) P-C4' energy: -17.612
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -17.129
tors. eta vs tors. theta energy: -14.915
Dist. restrs. and SS energy: 1.100 (S_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: 32
Temperature: 1.200000
Total energy: -266.756729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.756729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.448146 (E_RNA)
where:
Base-Base interactions energy: -179.397
where: short stacking energy: -69.962
Base-Backbone interact. energy: -0.420
local terms energy: -90.631594
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -23.692
flat angles P-C4'-P energy: -16.590
tors. eta vs tors. theta energy: -15.798
Dist. restrs. and SS energy: 3.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -262.696438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.696438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.483200 (E_RNA)
where:
Base-Base interactions energy: -177.426
where: short stacking energy: -63.611
Base-Backbone interact. energy: -0.146
local terms energy: -86.911823
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -24.945
flat angles C4'-P-C4' energy: -22.780
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -8.650
Dist. restrs. and SS energy: 1.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -248.946873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.946873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.794990 (E_RNA)
where:
Base-Base interactions energy: -163.639
where: short stacking energy: -68.141
Base-Backbone interact. energy: 0.293
local terms energy: -92.448409
where:
bonds (distance) C4'-P energy: -18.301
bonds (distance) P-C4' energy: -20.205
flat angles C4'-P-C4' energy: -21.632
flat angles P-C4'-P energy: -17.822
tors. eta vs tors. theta energy: -14.489
Dist. restrs. and SS energy: 6.848 (S_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: -233.021583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.021583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.203283 (E_RNA)
where:
Base-Base interactions energy: -170.543
where: short stacking energy: -64.514
Base-Backbone interact. energy: -0.316
local terms energy: -68.343610
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -14.209
Dist. restrs. and SS energy: 6.182 (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: 6
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -359.917190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.917190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.810511 (E_RNA)
where:
Base-Base interactions energy: -246.818
where: short stacking energy: -95.011
Base-Backbone interact. energy: -2.943
local terms energy: -112.049033
where:
bonds (distance) C4'-P energy: -26.358
bonds (distance) P-C4' energy: -16.971
flat angles C4'-P-C4' energy: -25.585
flat angles P-C4'-P energy: -14.355
tors. eta vs tors. theta energy: -28.779
Dist. restrs. and SS energy: 1.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -363.736158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.736158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.508216 (E_RNA)
where:
Base-Base interactions energy: -249.014
where: short stacking energy: -96.552
Base-Backbone interact. energy: -1.034
local terms energy: -114.460859
where:
bonds (distance) C4'-P energy: -21.054
bonds (distance) P-C4' energy: -20.158
flat angles C4'-P-C4' energy: -25.013
flat angles P-C4'-P energy: -18.630
tors. eta vs tors. theta energy: -29.605
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: 3, replica: 2
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -338.497019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.497019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.851996 (E_RNA)
where:
Base-Base interactions energy: -236.068
where: short stacking energy: -95.869
Base-Backbone interact. energy: -1.099
local terms energy: -102.684842
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -18.736
flat angles C4'-P-C4' energy: -19.692
flat angles P-C4'-P energy: -18.608
tors. eta vs tors. theta energy: -29.103
Dist. restrs. and SS energy: 1.355 (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: 33
Temperature: 1.050000
Total energy: -322.068659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.068659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.147738 (E_RNA)
where:
Base-Base interactions energy: -219.826
where: short stacking energy: -95.435
Base-Backbone interact. energy: -0.303
local terms energy: -104.018242
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -19.186
flat angles C4'-P-C4' energy: -23.487
flat angles P-C4'-P energy: -13.137
tors. eta vs tors. theta energy: -30.481
Dist. restrs. and SS energy: 2.079 (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: 9
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -310.349578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.349578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.605599 (E_RNA)
where:
Base-Base interactions energy: -227.460
where: short stacking energy: -85.772
Base-Backbone interact. energy: 1.038
local terms energy: -85.183245
where:
bonds (distance) C4'-P energy: -16.568
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -17.978
tors. eta vs tors. theta energy: -21.504
Dist. restrs. and SS energy: 1.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -272.647937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.647937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.015341 (E_RNA)
where:
Base-Base interactions energy: -187.938
where: short stacking energy: -73.344
Base-Backbone interact. energy: -1.150
local terms energy: -91.926736
where:
bonds (distance) C4'-P energy: -21.853
bonds (distance) P-C4' energy: -17.773
flat angles C4'-P-C4' energy: -20.771
flat angles P-C4'-P energy: -16.308
tors. eta vs tors. theta energy: -15.221
Dist. restrs. and SS energy: 8.367 (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: 4
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -279.934561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.934561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.948527 (E_RNA)
where:
Base-Base interactions energy: -192.713
where: short stacking energy: -84.332
Base-Backbone interact. energy: 0.173
local terms energy: -92.409095
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -20.896
flat angles C4'-P-C4' energy: -23.972
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -20.490
Dist. restrs. and SS energy: 5.014 (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: 8
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -239.589501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.589501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.858067 (E_RNA)
where:
Base-Base interactions energy: -151.588
where: short stacking energy: -59.893
Base-Backbone interact. energy: -0.540
local terms energy: -90.729266
where:
bonds (distance) C4'-P energy: -22.147
bonds (distance) P-C4' energy: -22.820
flat angles C4'-P-C4' energy: -21.875
flat angles P-C4'-P energy: -7.323
tors. eta vs tors. theta energy: -16.564
Dist. restrs. and SS energy: 3.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -228.712989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.712989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.670898 (E_RNA)
where:
Base-Base interactions energy: -153.791
where: short stacking energy: -65.378
Base-Backbone interact. energy: -0.447
local terms energy: -80.432903
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -18.958
flat angles P-C4'-P energy: -14.179
tors. eta vs tors. theta energy: -16.258
Dist. restrs. and SS energy: 5.958 (S_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: -242.255980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.255980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.776309 (E_RNA)
where:
Base-Base interactions energy: -160.740
where: short stacking energy: -69.346
Base-Backbone interact. energy: -0.333
local terms energy: -86.703667
where:
bonds (distance) C4'-P energy: -20.564
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -21.768
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -12.506
Dist. restrs. and SS energy: 5.520 (S_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: 34
Temperature: 0.900000
Total energy: -368.495523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.495523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.084201 (E_RNA)
where:
Base-Base interactions energy: -258.126
where: short stacking energy: -101.394
Base-Backbone interact. energy: -0.637
local terms energy: -110.321210
where:
bonds (distance) C4'-P energy: -22.615
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -23.267
flat angles P-C4'-P energy: -14.891
tors. eta vs tors. theta energy: -30.871
Dist. restrs. and SS energy: 0.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -352.065837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.065837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.250162 (E_RNA)
where:
Base-Base interactions energy: -244.114
where: short stacking energy: -102.784
Base-Backbone interact. energy: -1.250
local terms energy: -108.886449
where:
bonds (distance) C4'-P energy: -19.775
bonds (distance) P-C4' energy: -21.039
flat angles C4'-P-C4' energy: -22.933
flat angles P-C4'-P energy: -14.280
tors. eta vs tors. theta energy: -30.859
Dist. restrs. and SS energy: 2.184 (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: 2
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -335.437872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.437872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.037329 (E_RNA)
where:
Base-Base interactions energy: -235.308
where: short stacking energy: -101.350
Base-Backbone interact. energy: -0.116
local terms energy: -101.612618
where:
bonds (distance) C4'-P energy: -18.955
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -24.639
flat angles P-C4'-P energy: -12.851
tors. eta vs tors. theta energy: -28.922
Dist. restrs. and SS energy: 1.599 (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: 3
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -311.080965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.080965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.566795 (E_RNA)
where:
Base-Base interactions energy: -206.375
where: short stacking energy: -81.084
Base-Backbone interact. energy: -0.210
local terms energy: -104.982063
where:
bonds (distance) C4'-P energy: -19.050
bonds (distance) P-C4' energy: -25.394
flat angles C4'-P-C4' energy: -24.595
flat angles P-C4'-P energy: -13.759
tors. eta vs tors. theta energy: -22.184
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: 5, replica: 1
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -310.247251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.247251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.318028 (E_RNA)
where:
Base-Base interactions energy: -211.427
where: short stacking energy: -76.596
Base-Backbone interact. energy: -1.030
local terms energy: -98.860892
where:
bonds (distance) C4'-P energy: -22.197
bonds (distance) P-C4' energy: -25.092
flat angles C4'-P-C4' energy: -21.306
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -18.474
Dist. restrs. and SS energy: 1.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -298.652781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.652781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.288567 (E_RNA)
where:
Base-Base interactions energy: -218.249
where: short stacking energy: -92.659
Base-Backbone interact. energy: -0.115
local terms energy: -80.924461
where:
bonds (distance) C4'-P energy: -18.707
bonds (distance) P-C4' energy: -18.113
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -19.212
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: 7, replica: 4
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -298.529571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.529571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.477145 (E_RNA)
where:
Base-Base interactions energy: -212.772
where: short stacking energy: -75.874
Base-Backbone interact. energy: -0.365
local terms energy: -88.339597
where:
bonds (distance) C4'-P energy: -25.030
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -16.102
tors. eta vs tors. theta energy: -16.652
Dist. restrs. and SS energy: 2.948 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -248.464084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.464084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.381807 (E_RNA)
where:
Base-Base interactions energy: -163.330
where: short stacking energy: -76.617
Base-Backbone interact. energy: -0.622
local terms energy: -91.429167
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -22.052
flat angles C4'-P-C4' energy: -23.422
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: -12.575
Dist. restrs. and SS energy: 6.918 (S_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: 34
Temperature: 1.300000
Total energy: -247.197882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.197882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.860863 (E_RNA)
where:
Base-Base interactions energy: -166.118
where: short stacking energy: -65.372
Base-Backbone interact. energy: -0.648
local terms energy: -81.094643
where:
bonds (distance) C4'-P energy: -20.951
bonds (distance) P-C4' energy: -21.218
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -15.134
tors. eta vs tors. theta energy: -9.494
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: 10, replica: 7
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -232.135350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.135350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.505293 (E_RNA)
where:
Base-Base interactions energy: -158.975
where: short stacking energy: -61.263
Base-Backbone interact. energy: 0.128
local terms energy: -75.658360
where:
bonds (distance) C4'-P energy: -21.337
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -20.157
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -9.199
Dist. restrs. and SS energy: 2.370 (S_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: 35
Temperature: 0.900000
Total energy: -367.621418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.621418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.437666 (E_RNA)
where:
Base-Base interactions energy: -248.605
where: short stacking energy: -102.916
Base-Backbone interact. energy: -2.201
local terms energy: -117.631595
where:
bonds (distance) C4'-P energy: -21.335
bonds (distance) P-C4' energy: -20.159
flat angles C4'-P-C4' energy: -25.271
flat angles P-C4'-P energy: -17.968
tors. eta vs tors. theta energy: -32.899
Dist. restrs. and SS energy: 0.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -351.293966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.293966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.849728 (E_RNA)
where:
Base-Base interactions energy: -249.252
where: short stacking energy: -87.953
Base-Backbone interact. energy: -0.240
local terms energy: -103.357913
where:
bonds (distance) C4'-P energy: -22.186
bonds (distance) P-C4' energy: -20.976
flat angles C4'-P-C4' energy: -20.858
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -26.252
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: 3, replica: 6
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -339.058182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.058182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.776196 (E_RNA)
where:
Base-Base interactions energy: -245.561
where: short stacking energy: -101.453
Base-Backbone interact. energy: -1.454
local terms energy: -93.761353
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -19.708
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -30.575
Dist. restrs. and SS energy: 1.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -319.860399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.860399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.870205 (E_RNA)
where:
Base-Base interactions energy: -222.773
where: short stacking energy: -87.999
Base-Backbone interact. energy: -1.013
local terms energy: -99.084671
where:
bonds (distance) C4'-P energy: -17.917
bonds (distance) P-C4' energy: -25.215
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -14.420
tors. eta vs tors. theta energy: -22.907
Dist. restrs. and SS energy: 3.010 (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: 3
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -296.164642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.164642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.650916 (E_RNA)
where:
Base-Base interactions energy: -204.779
where: short stacking energy: -83.060
Base-Backbone interact. energy: -0.131
local terms energy: -92.741387
where:
bonds (distance) C4'-P energy: -21.345
bonds (distance) P-C4' energy: -19.479
flat angles C4'-P-C4' energy: -19.283
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -23.703
Dist. restrs. and SS energy: 1.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -306.294245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.294245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.343396 (E_RNA)
where:
Base-Base interactions energy: -220.571
where: short stacking energy: -95.622
Base-Backbone interact. energy: -1.344
local terms energy: -86.428900
where:
bonds (distance) C4'-P energy: -16.772
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -22.694
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -20.881
Dist. restrs. and SS energy: 2.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -277.073450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.073450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.112576 (E_RNA)
where:
Base-Base interactions energy: -197.463
where: short stacking energy: -70.508
Base-Backbone interact. energy: -0.236
local terms energy: -80.413641
where:
bonds (distance) C4'-P energy: -18.949
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -20.635
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -14.816
Dist. restrs. and SS energy: 1.039 (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: 5
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -275.590742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.590742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.413209 (E_RNA)
where:
Base-Base interactions energy: -200.390
where: short stacking energy: -80.354
Base-Backbone interact. energy: -0.339
local terms energy: -76.683797
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -16.467
Dist. restrs. and SS energy: 1.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -226.825094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.825094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.345798 (E_RNA)
where:
Base-Base interactions energy: -147.812
where: short stacking energy: -54.397
Base-Backbone interact. energy: -0.340
local terms energy: -81.193300
where:
bonds (distance) C4'-P energy: -21.716
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -12.953
Dist. restrs. and SS energy: 2.521 (S_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: 35
Temperature: 1.350000
Total energy: -235.929069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.929069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.131789 (E_RNA)
where:
Base-Base interactions energy: -158.965
where: short stacking energy: -71.645
Base-Backbone interact. energy: -0.304
local terms energy: -79.862165
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -9.858
flat angles C4'-P-C4' energy: -22.832
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -22.087
Dist. restrs. and SS energy: 3.203 (S_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: -358.146407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.146407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.390410 (E_RNA)
where:
Base-Base interactions energy: -247.093
where: short stacking energy: -97.007
Base-Backbone interact. energy: -0.663
local terms energy: -111.634116
where:
bonds (distance) C4'-P energy: -19.142
bonds (distance) P-C4' energy: -24.818
flat angles C4'-P-C4' energy: -20.412
flat angles P-C4'-P energy: -14.848
tors. eta vs tors. theta energy: -32.413
Dist. restrs. and SS energy: 1.244 (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: 10
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -362.448130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.448130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.624819 (E_RNA)
where:
Base-Base interactions energy: -244.188
where: short stacking energy: -98.185
Base-Backbone interact. energy: -1.306
local terms energy: -118.130181
where:
bonds (distance) C4'-P energy: -25.308
bonds (distance) P-C4' energy: -22.629
flat angles C4'-P-C4' energy: -24.241
flat angles P-C4'-P energy: -18.702
tors. eta vs tors. theta energy: -27.251
Dist. restrs. and SS energy: 1.177 (S_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: 36
Temperature: 1.000000
Total energy: -334.084485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.084485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.296467 (E_RNA)
where:
Base-Base interactions energy: -227.646
where: short stacking energy: -92.295
Base-Backbone interact. energy: -1.562
local terms energy: -106.088962
where:
bonds (distance) C4'-P energy: -21.692
bonds (distance) P-C4' energy: -21.947
flat angles C4'-P-C4' energy: -18.492
flat angles P-C4'-P energy: -15.677
tors. eta vs tors. theta energy: -28.280
Dist. restrs. and SS energy: 1.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -308.476985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.476985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.445081 (E_RNA)
where:
Base-Base interactions energy: -212.593
where: short stacking energy: -77.496
Base-Backbone interact. energy: -0.242
local terms energy: -98.610292
where:
bonds (distance) C4'-P energy: -18.259
bonds (distance) P-C4' energy: -21.875
flat angles C4'-P-C4' energy: -24.478
flat angles P-C4'-P energy: -13.689
tors. eta vs tors. theta energy: -20.310
Dist. restrs. and SS energy: 2.968 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -290.376849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.376849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.428878 (E_RNA)
where:
Base-Base interactions energy: -203.530
where: short stacking energy: -83.236
Base-Backbone interact. energy: -0.436
local terms energy: -86.463602
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -22.535
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -17.836
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: 4
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -280.405268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.405268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.294222 (E_RNA)
where:
Base-Base interactions energy: -189.350
where: short stacking energy: -80.089
Base-Backbone interact. energy: -0.345
local terms energy: -95.599428
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -23.998
flat angles C4'-P-C4' energy: -22.091
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -21.314
Dist. restrs. and SS energy: 4.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -283.007094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.007094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.788571 (E_RNA)
where:
Base-Base interactions energy: -195.790
where: short stacking energy: -73.202
Base-Backbone interact. energy: -0.379
local terms energy: -88.619868
where:
bonds (distance) C4'-P energy: -17.899
bonds (distance) P-C4' energy: -20.387
flat angles C4'-P-C4' energy: -19.847
flat angles P-C4'-P energy: -14.392
tors. eta vs tors. theta energy: -16.094
Dist. restrs. and SS energy: 1.781 (S_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: 36
Temperature: 1.250000
Total energy: -250.146740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.146740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.704356 (E_RNA)
where:
Base-Base interactions energy: -166.223
where: short stacking energy: -56.655
Base-Backbone interact. energy: -1.646
local terms energy: -89.835209
where:
bonds (distance) C4'-P energy: -18.194
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -25.963
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -15.867
Dist. restrs. and SS energy: 7.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -242.861839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.861839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.036032 (E_RNA)
where:
Base-Base interactions energy: -155.894
where: short stacking energy: -70.298
Base-Backbone interact. energy: -0.192
local terms energy: -90.950148
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -23.992
flat angles C4'-P-C4' energy: -20.856
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -16.739
Dist. restrs. and SS energy: 4.174 (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: 36
Temperature: 1.350000
Total energy: -214.003535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.003535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.768708 (E_RNA)
where:
Base-Base interactions energy: -139.266
where: short stacking energy: -50.892
Base-Backbone interact. energy: -0.381
local terms energy: -79.121606
where:
bonds (distance) C4'-P energy: -20.054
bonds (distance) P-C4' energy: -21.227
flat angles C4'-P-C4' energy: -20.808
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -7.864
Dist. restrs. and SS energy: 4.765 (S_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: -356.772046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.772046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.924004 (E_RNA)
where:
Base-Base interactions energy: -240.168
where: short stacking energy: -92.688
Base-Backbone interact. energy: -1.366
local terms energy: -116.390016
where:
bonds (distance) C4'-P energy: -23.817
bonds (distance) P-C4' energy: -24.645
flat angles C4'-P-C4' energy: -21.438
flat angles P-C4'-P energy: -14.544
tors. eta vs tors. theta energy: -31.946
Dist. restrs. and SS energy: 1.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -372.701522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.701522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.871744 (E_RNA)
where:
Base-Base interactions energy: -261.212
where: short stacking energy: -99.330
Base-Backbone interact. energy: -2.364
local terms energy: -110.296364
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -27.206
flat angles C4'-P-C4' energy: -20.616
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -32.242
Dist. restrs. and SS energy: 1.170 (S_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: 37
Temperature: 1.000000
Total energy: -325.671933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.671933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.682734 (E_RNA)
where:
Base-Base interactions energy: -220.513
where: short stacking energy: -96.534
Base-Backbone interact. energy: -1.147
local terms energy: -106.022155
where:
bonds (distance) C4'-P energy: -21.770
bonds (distance) P-C4' energy: -21.639
flat angles C4'-P-C4' energy: -18.906
flat angles P-C4'-P energy: -15.063
tors. eta vs tors. theta energy: -28.643
Dist. restrs. and SS energy: 2.011 (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: 3
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -305.460310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.460310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.286475 (E_RNA)
where:
Base-Base interactions energy: -216.706
where: short stacking energy: -82.361
Base-Backbone interact. energy: -0.451
local terms energy: -90.129509
where:
bonds (distance) C4'-P energy: -19.589
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -22.832
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: -17.395
Dist. restrs. and SS energy: 1.826 (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: 1
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -314.073316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.073316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.113262 (E_RNA)
where:
Base-Base interactions energy: -228.658
where: short stacking energy: -90.848
Base-Backbone interact. energy: 1.004
local terms energy: -88.459645
where:
bonds (distance) C4'-P energy: -23.117
bonds (distance) P-C4' energy: -18.772
flat angles C4'-P-C4' energy: -19.580
flat angles P-C4'-P energy: -6.028
tors. eta vs tors. theta energy: -20.964
Dist. restrs. and SS energy: 2.040 (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: 37
Temperature: 1.150000
Total energy: -273.215095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.215095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.451841 (E_RNA)
where:
Base-Base interactions energy: -180.814
where: short stacking energy: -71.995
Base-Backbone interact. energy: -2.501
local terms energy: -92.137446
where:
bonds (distance) C4'-P energy: -23.810
bonds (distance) P-C4' energy: -20.038
flat angles C4'-P-C4' energy: -21.602
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -15.100
Dist. restrs. and SS energy: 2.237 (S_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: 37
Temperature: 1.200000
Total energy: -264.420384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.420384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.281082 (E_RNA)
where:
Base-Base interactions energy: -185.482
where: short stacking energy: -77.740
Base-Backbone interact. energy: -0.250
local terms energy: -82.548997
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -19.815
flat angles C4'-P-C4' energy: -23.261
flat angles P-C4'-P energy: -6.722
tors. eta vs tors. theta energy: -17.055
Dist. restrs. and SS energy: 3.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -251.247260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.247260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.762094 (E_RNA)
where:
Base-Base interactions energy: -185.562
where: short stacking energy: -73.195
Base-Backbone interact. energy: -0.028
local terms energy: -70.172335
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -23.740
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -9.190
Dist. restrs. and SS energy: 4.515 (S_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: 37
Temperature: 1.300000
Total energy: -260.014828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.014828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.368073 (E_RNA)
where:
Base-Base interactions energy: -174.508
where: short stacking energy: -69.905
Base-Backbone interact. energy: -0.593
local terms energy: -88.267204
where:
bonds (distance) C4'-P energy: -20.389
bonds (distance) P-C4' energy: -16.573
flat angles C4'-P-C4' energy: -24.066
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -14.932
Dist. restrs. and SS energy: 3.353 (S_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: -223.798061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.798061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.186029 (E_RNA)
where:
Base-Base interactions energy: -153.297
where: short stacking energy: -50.881
Base-Backbone interact. energy: 1.118
local terms energy: -72.006884
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -23.673
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -7.704
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: 1, replica: 10
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -368.520188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.520188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.488665 (E_RNA)
where:
Base-Base interactions energy: -251.361
where: short stacking energy: -94.371
Base-Backbone interact. energy: -3.870
local terms energy: -114.258362
where:
bonds (distance) C4'-P energy: -25.302
bonds (distance) P-C4' energy: -21.915
flat angles C4'-P-C4' energy: -20.001
flat angles P-C4'-P energy: -17.189
tors. eta vs tors. theta energy: -29.852
Dist. restrs. and SS energy: 0.968 (S_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: -350.431269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.431269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.228856 (E_RNA)
where:
Base-Base interactions energy: -232.233
where: short stacking energy: -92.347
Base-Backbone interact. energy: -0.129
local terms energy: -118.866637
where:
bonds (distance) C4'-P energy: -27.202
bonds (distance) P-C4' energy: -20.133
flat angles C4'-P-C4' energy: -23.973
flat angles P-C4'-P energy: -17.527
tors. eta vs tors. theta energy: -30.032
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: 3, replica: 6
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -329.483059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.483059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.962343 (E_RNA)
where:
Base-Base interactions energy: -223.625
where: short stacking energy: -87.391
Base-Backbone interact. energy: -0.224
local terms energy: -108.113500
where:
bonds (distance) C4'-P energy: -19.446
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -26.117
flat angles P-C4'-P energy: -14.559
tors. eta vs tors. theta energy: -28.549
Dist. restrs. and SS energy: 2.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -314.014637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.014637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.394874 (E_RNA)
where:
Base-Base interactions energy: -210.765
where: short stacking energy: -87.644
Base-Backbone interact. energy: -0.929
local terms energy: -102.700879
where:
bonds (distance) C4'-P energy: -23.057
bonds (distance) P-C4' energy: -19.910
flat angles C4'-P-C4' energy: -23.668
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -23.787
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: 5, replica: 9
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -292.065979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.065979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.184628 (E_RNA)
where:
Base-Base interactions energy: -203.871
where: short stacking energy: -71.633
Base-Backbone interact. energy: 1.105
local terms energy: -89.418351
where:
bonds (distance) C4'-P energy: -18.993
bonds (distance) P-C4' energy: -25.201
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -20.388
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: 6, replica: 1
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -294.487333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.487333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.860406 (E_RNA)
where:
Base-Base interactions energy: -197.901
where: short stacking energy: -78.543
Base-Backbone interact. energy: -0.631
local terms energy: -99.327910
where:
bonds (distance) C4'-P energy: -21.151
bonds (distance) P-C4' energy: -22.306
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -17.373
tors. eta vs tors. theta energy: -22.174
Dist. restrs. and SS energy: 3.373 (S_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: 38
Temperature: 1.200000
Total energy: -265.429250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.429250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.110898 (E_RNA)
where:
Base-Base interactions energy: -173.515
where: short stacking energy: -80.509
Base-Backbone interact. energy: -1.073
local terms energy: -94.523060
where:
bonds (distance) C4'-P energy: -18.867
bonds (distance) P-C4' energy: -23.931
flat angles C4'-P-C4' energy: -18.293
flat angles P-C4'-P energy: -15.178
tors. eta vs tors. theta energy: -18.254
Dist. restrs. and SS energy: 3.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -231.187401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.187401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.422635 (E_RNA)
where:
Base-Base interactions energy: -151.456
where: short stacking energy: -62.941
Base-Backbone interact. energy: -0.290
local terms energy: -87.676385
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -19.640
flat angles C4'-P-C4' energy: -21.318
flat angles P-C4'-P energy: -18.871
tors. eta vs tors. theta energy: -10.532
Dist. restrs. and SS energy: 8.235 (S_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: 38
Temperature: 1.300000
Total energy: -232.345163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.345163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.503531 (E_RNA)
where:
Base-Base interactions energy: -155.298
where: short stacking energy: -79.703
Base-Backbone interact. energy: -0.119
local terms energy: -87.086397
where:
bonds (distance) C4'-P energy: -17.502
bonds (distance) P-C4' energy: -20.060
flat angles C4'-P-C4' energy: -20.994
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -17.724
Dist. restrs. and SS energy: 10.158 (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: 7
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -228.663236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.663236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.428373 (E_RNA)
where:
Base-Base interactions energy: -148.606
where: short stacking energy: -66.149
Base-Backbone interact. energy: -1.180
local terms energy: -82.642064
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -24.132
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -10.227
Dist. restrs. and SS energy: 3.765 (S_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: 39
Temperature: 0.900000
Total energy: -360.427529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.427529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.221595 (E_RNA)
where:
Base-Base interactions energy: -255.245
where: short stacking energy: -107.211
Base-Backbone interact. energy: -1.216
local terms energy: -104.761002
where:
bonds (distance) C4'-P energy: -18.403
bonds (distance) P-C4' energy: -16.441
flat angles C4'-P-C4' energy: -20.833
flat angles P-C4'-P energy: -17.671
tors. eta vs tors. theta energy: -31.414
Dist. restrs. and SS energy: 0.794 (S_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: 39
Temperature: 0.950000
Total energy: -355.276892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.276892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.974847 (E_RNA)
where:
Base-Base interactions energy: -244.185
where: short stacking energy: -101.915
Base-Backbone interact. energy: -0.452
local terms energy: -112.338648
where:
bonds (distance) C4'-P energy: -20.302
bonds (distance) P-C4' energy: -24.360
flat angles C4'-P-C4' energy: -24.756
flat angles P-C4'-P energy: -15.534
tors. eta vs tors. theta energy: -27.387
Dist. restrs. and SS energy: 1.698 (S_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: 39
Temperature: 1.000000
Total energy: -335.102181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.102181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.390099 (E_RNA)
where:
Base-Base interactions energy: -229.357
where: short stacking energy: -87.031
Base-Backbone interact. energy: -0.674
local terms energy: -106.359050
where:
bonds (distance) C4'-P energy: -20.446
bonds (distance) P-C4' energy: -19.065
flat angles C4'-P-C4' energy: -26.828
flat angles P-C4'-P energy: -15.126
tors. eta vs tors. theta energy: -24.894
Dist. restrs. and SS energy: 1.288 (S_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: 39
Temperature: 1.050000
Total energy: -299.424341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.424341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.572425 (E_RNA)
where:
Base-Base interactions energy: -202.439
where: short stacking energy: -84.149
Base-Backbone interact. energy: -0.477
local terms energy: -96.656861
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -21.588
flat angles C4'-P-C4' energy: -24.280
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -21.013
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: 5, replica: 9
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -320.460675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.460675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.151903 (E_RNA)
where:
Base-Base interactions energy: -227.338
where: short stacking energy: -82.498
Base-Backbone interact. energy: -1.722
local terms energy: -95.091457
where:
bonds (distance) C4'-P energy: -22.943
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -19.610
tors. eta vs tors. theta energy: -20.977
Dist. restrs. and SS energy: 3.691 (S_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: 39
Temperature: 1.150000
Total energy: -272.799903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.799903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.313814 (E_RNA)
where:
Base-Base interactions energy: -183.268
where: short stacking energy: -83.812
Base-Backbone interact. energy: -0.109
local terms energy: -92.937110
where:
bonds (distance) C4'-P energy: -20.800
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -21.205
flat angles P-C4'-P energy: -17.672
tors. eta vs tors. theta energy: -17.777
Dist. restrs. and SS energy: 3.514 (S_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: 39
Temperature: 1.200000
Total energy: -303.095198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.095198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.610328 (E_RNA)
where:
Base-Base interactions energy: -222.604
where: short stacking energy: -86.215
Base-Backbone interact. energy: 0.237
local terms energy: -91.243578
where:
bonds (distance) C4'-P energy: -24.747
bonds (distance) P-C4' energy: -21.123
flat angles C4'-P-C4' energy: -8.789
flat angles P-C4'-P energy: -17.153
tors. eta vs tors. theta energy: -19.431
Dist. restrs. and SS energy: 10.515 (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: 5
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -248.700733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.700733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.166777 (E_RNA)
where:
Base-Base interactions energy: -169.105
where: short stacking energy: -73.079
Base-Backbone interact. energy: -0.402
local terms energy: -82.659966
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -21.329
flat angles C4'-P-C4' energy: -19.174
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -12.585
Dist. restrs. and SS energy: 3.466 (S_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: 39
Temperature: 1.300000
Total energy: -227.314786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.314786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.553228 (E_RNA)
where:
Base-Base interactions energy: -154.584
where: short stacking energy: -60.644
Base-Backbone interact. energy: 0.667
local terms energy: -74.635557
where:
bonds (distance) C4'-P energy: -18.665
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -12.563
Dist. restrs. and SS energy: 1.238 (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: 7
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -226.781278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.781278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.041938 (E_RNA)
where:
Base-Base interactions energy: -150.808
where: short stacking energy: -63.995
Base-Backbone interact. energy: 0.405
local terms energy: -79.639240
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -25.481
flat angles C4'-P-C4' energy: -19.114
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -8.965
Dist. restrs. and SS energy: 3.261 (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: 2
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -358.450031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.450031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.890483 (E_RNA)
where:
Base-Base interactions energy: -250.031
where: short stacking energy: -103.298
Base-Backbone interact. energy: -1.275
local terms energy: -109.584940
where:
bonds (distance) C4'-P energy: -20.706
bonds (distance) P-C4' energy: -24.137
flat angles C4'-P-C4' energy: -18.588
flat angles P-C4'-P energy: -16.066
tors. eta vs tors. theta energy: -30.087
Dist. restrs. and SS energy: 2.440 (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: 10
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -367.210049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.210049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.983809 (E_RNA)
where:
Base-Base interactions energy: -256.162
where: short stacking energy: -94.713
Base-Backbone interact. energy: -1.989
local terms energy: -109.831847
where:
bonds (distance) C4'-P energy: -23.100
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -22.731
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -31.090
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: 3, replica: 6
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -338.768128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.768128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.564713 (E_RNA)
where:
Base-Base interactions energy: -236.312
where: short stacking energy: -105.176
Base-Backbone interact. energy: -0.388
local terms energy: -102.865379
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -20.143
flat angles C4'-P-C4' energy: -21.715
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -31.409
Dist. restrs. and SS energy: 0.797 (S_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: 40
Temperature: 1.050000
Total energy: -320.777169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.777169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.868327 (E_RNA)
where:
Base-Base interactions energy: -222.252
where: short stacking energy: -89.293
Base-Backbone interact. energy: -0.723
local terms energy: -97.892961
where:
bonds (distance) C4'-P energy: -16.827
bonds (distance) P-C4' energy: -26.529
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -14.992
tors. eta vs tors. theta energy: -22.882
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: 5, replica: 9
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -311.105562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.105562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.682226 (E_RNA)
where:
Base-Base interactions energy: -197.056
where: short stacking energy: -78.970
Base-Backbone interact. energy: -0.518
local terms energy: -114.108094
where:
bonds (distance) C4'-P energy: -22.205
bonds (distance) P-C4' energy: -26.491
flat angles C4'-P-C4' energy: -24.410
flat angles P-C4'-P energy: -17.924
tors. eta vs tors. theta energy: -23.078
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: 4
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -251.652740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.652740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.783700 (E_RNA)
where:
Base-Base interactions energy: -160.797
where: short stacking energy: -73.120
Base-Backbone interact. energy: 1.133
local terms energy: -94.119137
where:
bonds (distance) C4'-P energy: -25.675
bonds (distance) P-C4' energy: -23.728
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -19.045
Dist. restrs. and SS energy: 2.131 (S_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: 40
Temperature: 1.200000
Total energy: -277.998438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.998438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.401689 (E_RNA)
where:
Base-Base interactions energy: -181.337
where: short stacking energy: -77.550
Base-Backbone interact. energy: -0.646
local terms energy: -100.418736
where:
bonds (distance) C4'-P energy: -22.997
bonds (distance) P-C4' energy: -21.886
flat angles C4'-P-C4' energy: -18.529
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -24.097
Dist. restrs. and SS energy: 4.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -251.973458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.973458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.035448 (E_RNA)
where:
Base-Base interactions energy: -169.306
where: short stacking energy: -63.454
Base-Backbone interact. energy: -0.875
local terms energy: -83.854128
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -20.661
flat angles C4'-P-C4' energy: -19.747
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -14.221
Dist. restrs. and SS energy: 2.062 (S_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: 40
Temperature: 1.300000
Total energy: -219.629375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.629375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.542113 (E_RNA)
where:
Base-Base interactions energy: -153.671
where: short stacking energy: -64.514
Base-Backbone interact. energy: -0.531
local terms energy: -72.339535
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -10.823
Dist. restrs. and SS energy: 6.913 (S_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: 40
Temperature: 1.350000
Total energy: -212.200770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.200770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.536039 (E_RNA)
where:
Base-Base interactions energy: -146.172
where: short stacking energy: -58.134
Base-Backbone interact. energy: -0.706
local terms energy: -73.657731
where:
bonds (distance) C4'-P energy: -20.492
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -19.532
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -6.421
Dist. restrs. and SS energy: 8.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -345.155711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.155711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.367252 (E_RNA)
where:
Base-Base interactions energy: -231.612
where: short stacking energy: -94.876
Base-Backbone interact. energy: -0.492
local terms energy: -114.263100
where:
bonds (distance) C4'-P energy: -22.861
bonds (distance) P-C4' energy: -19.935
flat angles C4'-P-C4' energy: -20.752
flat angles P-C4'-P energy: -20.216
tors. eta vs tors. theta energy: -30.499
Dist. restrs. and SS energy: 1.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -346.919067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.919067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.851148 (E_RNA)
where:
Base-Base interactions energy: -241.794
where: short stacking energy: -99.396
Base-Backbone interact. energy: 0.412
local terms energy: -106.469414
where:
bonds (distance) C4'-P energy: -23.135
bonds (distance) P-C4' energy: -17.527
flat angles C4'-P-C4' energy: -24.120
flat angles P-C4'-P energy: -16.767
tors. eta vs tors. theta energy: -24.920
Dist. restrs. and SS energy: 0.932 (S_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: 41
Temperature: 1.000000
Total energy: -357.230437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.230437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.371958 (E_RNA)
where:
Base-Base interactions energy: -248.636
where: short stacking energy: -95.297
Base-Backbone interact. energy: -0.783
local terms energy: -108.952512
where:
bonds (distance) C4'-P energy: -18.832
bonds (distance) P-C4' energy: -22.072
flat angles C4'-P-C4' energy: -19.038
flat angles P-C4'-P energy: -19.275
tors. eta vs tors. theta energy: -29.735
Dist. restrs. and SS energy: 1.142 (S_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: 41
Temperature: 1.050000
Total energy: -341.974244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.974244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.036510 (E_RNA)
where:
Base-Base interactions energy: -248.971
where: short stacking energy: -94.737
Base-Backbone interact. energy: -0.818
local terms energy: -92.248014
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -20.416
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -27.308
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: 3
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -313.518276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.518276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.591666 (E_RNA)
where:
Base-Base interactions energy: -217.828
where: short stacking energy: -82.595
Base-Backbone interact. energy: -0.563
local terms energy: -96.200211
where:
bonds (distance) C4'-P energy: -11.766
bonds (distance) P-C4' energy: -23.322
flat angles C4'-P-C4' energy: -22.986
flat angles P-C4'-P energy: -14.209
tors. eta vs tors. theta energy: -23.917
Dist. restrs. and SS energy: 1.073 (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: 4
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -269.672623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.672623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.603314 (E_RNA)
where:
Base-Base interactions energy: -181.168
where: short stacking energy: -74.998
Base-Backbone interact. energy: -1.010
local terms energy: -90.425803
where:
bonds (distance) C4'-P energy: -18.612
bonds (distance) P-C4' energy: -19.816
flat angles C4'-P-C4' energy: -22.418
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -17.179
Dist. restrs. and SS energy: 2.931 (S_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: 41
Temperature: 1.200000
Total energy: -260.857174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.857174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.943298 (E_RNA)
where:
Base-Base interactions energy: -187.731
where: short stacking energy: -73.123
Base-Backbone interact. energy: -0.224
local terms energy: -76.987838
where:
bonds (distance) C4'-P energy: -21.042
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -18.731
Dist. restrs. and SS energy: 4.086 (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: 5
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -245.756821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.756821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.060896 (E_RNA)
where:
Base-Base interactions energy: -163.229
where: short stacking energy: -62.138
Base-Backbone interact. energy: 0.067
local terms energy: -84.898235
where:
bonds (distance) C4'-P energy: -16.320
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -21.751
flat angles P-C4'-P energy: -18.837
tors. eta vs tors. theta energy: -8.734
Dist. restrs. and SS energy: 2.304 (S_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: 41
Temperature: 1.300000
Total energy: -235.997932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.997932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.375986 (E_RNA)
where:
Base-Base interactions energy: -154.546
where: short stacking energy: -67.475
Base-Backbone interact. energy: -0.632
local terms energy: -87.197433
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -26.601
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -15.138
tors. eta vs tors. theta energy: -13.854
Dist. restrs. and SS energy: 6.378 (S_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: 41
Temperature: 1.350000
Total energy: -237.322583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.322583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.861910 (E_RNA)
where:
Base-Base interactions energy: -160.641
where: short stacking energy: -59.425
Base-Backbone interact. energy: 0.554
local terms energy: -79.774526
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -22.238
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -16.119
Dist. restrs. and SS energy: 2.539 (S_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: -353.042806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.042806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.203694 (E_RNA)
where:
Base-Base interactions energy: -245.158
where: short stacking energy: -101.471
Base-Backbone interact. energy: -0.128
local terms energy: -108.917719
where:
bonds (distance) C4'-P energy: -20.757
bonds (distance) P-C4' energy: -18.303
flat angles C4'-P-C4' energy: -21.063
flat angles P-C4'-P energy: -20.106
tors. eta vs tors. theta energy: -28.689
Dist. restrs. and SS energy: 1.161 (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: 2
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -343.390331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.390331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.000789 (E_RNA)
where:
Base-Base interactions energy: -239.153
where: short stacking energy: -96.772
Base-Backbone interact. energy: -1.231
local terms energy: -103.617241
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -22.626
flat angles C4'-P-C4' energy: -22.200
flat angles P-C4'-P energy: -17.254
tors. eta vs tors. theta energy: -24.469
Dist. restrs. and SS energy: 0.610 (S_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: 42
Temperature: 1.000000
Total energy: -354.894460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.894460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.179588 (E_RNA)
where:
Base-Base interactions energy: -244.575
where: short stacking energy: -97.949
Base-Backbone interact. energy: -0.669
local terms energy: -109.934896
where:
bonds (distance) C4'-P energy: -17.046
bonds (distance) P-C4' energy: -20.721
flat angles C4'-P-C4' energy: -25.621
flat angles P-C4'-P energy: -17.071
tors. eta vs tors. theta energy: -29.477
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: 4, replica: 10
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -353.641502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.641502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.589182 (E_RNA)
where:
Base-Base interactions energy: -247.869
where: short stacking energy: -98.422
Base-Backbone interact. energy: -0.570
local terms energy: -106.149226
where:
bonds (distance) C4'-P energy: -21.216
bonds (distance) P-C4' energy: -20.614
flat angles C4'-P-C4' energy: -20.905
flat angles P-C4'-P energy: -14.989
tors. eta vs tors. theta energy: -28.425
Dist. restrs. and SS energy: 0.948 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -321.341832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.341832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.410540 (E_RNA)
where:
Base-Base interactions energy: -215.078
where: short stacking energy: -84.523
Base-Backbone interact. energy: -1.549
local terms energy: -104.783450
where:
bonds (distance) C4'-P energy: -23.924
bonds (distance) P-C4' energy: -23.886
flat angles C4'-P-C4' energy: -21.746
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -21.302
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: 6, replica: 4
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -274.742563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.742563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.883088 (E_RNA)
where:
Base-Base interactions energy: -186.317
where: short stacking energy: -65.046
Base-Backbone interact. energy: -0.941
local terms energy: -88.625082
where:
bonds (distance) C4'-P energy: -24.386
bonds (distance) P-C4' energy: -23.023
flat angles C4'-P-C4' energy: -21.313
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -13.846
Dist. restrs. and SS energy: 1.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -262.098717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.098717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.267972 (E_RNA)
where:
Base-Base interactions energy: -178.020
where: short stacking energy: -75.011
Base-Backbone interact. energy: -0.043
local terms energy: -86.204655
where:
bonds (distance) C4'-P energy: -21.870
bonds (distance) P-C4' energy: -15.718
flat angles C4'-P-C4' energy: -21.752
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -18.929
Dist. restrs. and SS energy: 2.169 (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: 1
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -255.298201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.298201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.616876 (E_RNA)
where:
Base-Base interactions energy: -181.548
where: short stacking energy: -74.577
Base-Backbone interact. energy: -0.245
local terms energy: -78.824590
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -24.793
flat angles P-C4'-P energy: -4.787
tors. eta vs tors. theta energy: -18.043
Dist. restrs. and SS energy: 5.319 (S_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: 42
Temperature: 1.300000
Total energy: -247.922614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.922614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.587488 (E_RNA)
where:
Base-Base interactions energy: -169.550
where: short stacking energy: -65.635
Base-Backbone interact. energy: -0.757
local terms energy: -78.279904
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -15.999
tors. eta vs tors. theta energy: -11.718
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: 10, replica: 7
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -215.401012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.401012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.590288 (E_RNA)
where:
Base-Base interactions energy: -143.537
where: short stacking energy: -57.210
Base-Backbone interact. energy: -0.340
local terms energy: -74.713091
where:
bonds (distance) C4'-P energy: -18.622
bonds (distance) P-C4' energy: -17.427
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -14.398
Dist. restrs. and SS energy: 3.189 (S_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: -352.584985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.584985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.964043 (E_RNA)
where:
Base-Base interactions energy: -240.836
where: short stacking energy: -106.358
Base-Backbone interact. energy: -1.399
local terms energy: -111.729293
where:
bonds (distance) C4'-P energy: -23.721
bonds (distance) P-C4' energy: -25.660
flat angles C4'-P-C4' energy: -24.851
flat angles P-C4'-P energy: -14.974
tors. eta vs tors. theta energy: -22.523
Dist. restrs. and SS energy: 1.379 (S_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: 43
Temperature: 0.950000
Total energy: -356.292795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.292795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.968524 (E_RNA)
where:
Base-Base interactions energy: -240.616
where: short stacking energy: -92.385
Base-Backbone interact. energy: -1.462
local terms energy: -114.890549
where:
bonds (distance) C4'-P energy: -19.996
bonds (distance) P-C4' energy: -24.061
flat angles C4'-P-C4' energy: -26.249
flat angles P-C4'-P energy: -19.323
tors. eta vs tors. theta energy: -25.262
Dist. restrs. and SS energy: 0.676 (S_DIST_RNA)
chem. 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: -320.911662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.911662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.096509 (E_RNA)
where:
Base-Base interactions energy: -213.601
where: short stacking energy: -83.882
Base-Backbone interact. energy: 0.294
local terms energy: -108.789422
where:
bonds (distance) C4'-P energy: -21.960
bonds (distance) P-C4' energy: -26.928
flat angles C4'-P-C4' energy: -24.864
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -21.980
Dist. restrs. and SS energy: 1.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -336.832167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.832167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.439825 (E_RNA)
where:
Base-Base interactions energy: -235.186
where: short stacking energy: -88.420
Base-Backbone interact. energy: 0.808
local terms energy: -104.061667
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -21.563
flat angles C4'-P-C4' energy: -23.659
flat angles P-C4'-P energy: -16.734
tors. eta vs tors. theta energy: -24.656
Dist. restrs. and SS energy: 1.608 (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: 3
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -321.033802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.033802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.067066 (E_RNA)
where:
Base-Base interactions energy: -219.175
where: short stacking energy: -88.735
Base-Backbone interact. energy: 0.612
local terms energy: -102.503858
where:
bonds (distance) C4'-P energy: -21.695
bonds (distance) P-C4' energy: -20.180
flat angles C4'-P-C4' energy: -22.938
flat angles P-C4'-P energy: -14.822
tors. eta vs tors. theta energy: -22.869
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: 5
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -282.613441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.613441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.731311 (E_RNA)
where:
Base-Base interactions energy: -184.218
where: short stacking energy: -75.294
Base-Backbone interact. energy: -0.811
local terms energy: -97.702249
where:
bonds (distance) C4'-P energy: -21.602
bonds (distance) P-C4' energy: -15.500
flat angles C4'-P-C4' energy: -24.924
flat angles P-C4'-P energy: -19.369
tors. eta vs tors. theta energy: -16.308
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: 4
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -279.926854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.926854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.688376 (E_RNA)
where:
Base-Base interactions energy: -197.926
where: short stacking energy: -74.705
Base-Backbone interact. energy: -0.543
local terms energy: -82.218619
where:
bonds (distance) C4'-P energy: -17.313
bonds (distance) P-C4' energy: -20.003
flat angles C4'-P-C4' energy: -18.307
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -13.572
Dist. restrs. and SS energy: 0.762 (S_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: 43
Temperature: 1.250000
Total energy: -241.634900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.634900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.005465 (E_RNA)
where:
Base-Base interactions energy: -157.632
where: short stacking energy: -66.532
Base-Backbone interact. energy: -0.293
local terms energy: -85.079927
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -20.128
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -16.208
tors. eta vs tors. theta energy: -15.227
Dist. restrs. and SS energy: 1.371 (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: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -219.971741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.971741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.054822 (E_RNA)
where:
Base-Base interactions energy: -137.237
where: short stacking energy: -58.155
Base-Backbone interact. energy: -0.361
local terms energy: -85.457484
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -17.826
flat angles C4'-P-C4' energy: -22.595
flat angles P-C4'-P energy: -17.232
tors. eta vs tors. theta energy: -10.890
Dist. restrs. and SS energy: 3.083 (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: 7
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -235.903305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.903305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.138008 (E_RNA)
where:
Base-Base interactions energy: -167.422
where: short stacking energy: -59.822
Base-Backbone interact. energy: -0.184
local terms energy: -71.532207
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -13.844
tors. eta vs tors. theta energy: -12.313
Dist. restrs. and SS energy: 3.235 (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: 9
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -352.919393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.919393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.109896 (E_RNA)
where:
Base-Base interactions energy: -249.923
where: short stacking energy: -85.743
Base-Backbone interact. energy: -0.223
local terms energy: -103.964461
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -24.595
flat angles C4'-P-C4' energy: -19.460
flat angles P-C4'-P energy: -18.221
tors. eta vs tors. theta energy: -22.392
Dist. restrs. and SS energy: 1.191 (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: 6
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -341.980727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.980727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.733500 (E_RNA)
where:
Base-Base interactions energy: -239.425
where: short stacking energy: -86.541
Base-Backbone interact. energy: -0.611
local terms energy: -102.697103
where:
bonds (distance) C4'-P energy: -20.889
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -23.378
flat angles P-C4'-P energy: -20.082
tors. eta vs tors. theta energy: -16.192
Dist. restrs. and SS energy: 0.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -348.338042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.338042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.380959 (E_RNA)
where:
Base-Base interactions energy: -246.194
where: short stacking energy: -94.886
Base-Backbone interact. energy: -1.033
local terms energy: -103.153505
where:
bonds (distance) C4'-P energy: -18.029
bonds (distance) P-C4' energy: -23.338
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -14.789
tors. eta vs tors. theta energy: -30.760
Dist. restrs. and SS energy: 2.043 (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: 44
Temperature: 1.050000
Total energy: -313.297079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.297079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.510735 (E_RNA)
where:
Base-Base interactions energy: -208.784
where: short stacking energy: -85.155
Base-Backbone interact. energy: -0.448
local terms energy: -105.278170
where:
bonds (distance) C4'-P energy: -25.693
bonds (distance) P-C4' energy: -20.714
flat angles C4'-P-C4' energy: -21.078
flat angles P-C4'-P energy: -16.465
tors. eta vs tors. theta energy: -21.329
Dist. restrs. and SS energy: 1.214 (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: 3
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -340.901480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.901480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.950324 (E_RNA)
where:
Base-Base interactions energy: -237.317
where: short stacking energy: -100.417
Base-Backbone interact. energy: -0.480
local terms energy: -103.152530
where:
bonds (distance) C4'-P energy: -16.940
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -26.437
flat angles P-C4'-P energy: -14.700
tors. eta vs tors. theta energy: -26.087
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: 5
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -299.032949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.032949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.201696 (E_RNA)
where:
Base-Base interactions energy: -202.552
where: short stacking energy: -79.011
Base-Backbone interact. energy: -1.033
local terms energy: -96.616867
where:
bonds (distance) C4'-P energy: -23.286
bonds (distance) P-C4' energy: -18.888
flat angles C4'-P-C4' energy: -18.256
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -23.805
Dist. restrs. and SS energy: 1.169 (S_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: 44
Temperature: 1.200000
Total energy: -272.863375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.863375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.426446 (E_RNA)
where:
Base-Base interactions energy: -185.840
where: short stacking energy: -84.314
Base-Backbone interact. energy: -1.088
local terms energy: -94.498100
where:
bonds (distance) C4'-P energy: -18.308
bonds (distance) P-C4' energy: -19.775
flat angles C4'-P-C4' energy: -21.217
flat angles P-C4'-P energy: -16.806
tors. eta vs tors. theta energy: -18.392
Dist. restrs. and SS energy: 8.563 (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: 1
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -255.715120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.715120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.554744 (E_RNA)
where:
Base-Base interactions energy: -168.109
where: short stacking energy: -63.591
Base-Backbone interact. energy: -0.118
local terms energy: -91.328277
where:
bonds (distance) C4'-P energy: -22.011
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -18.261
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -23.525
Dist. restrs. and SS energy: 3.840 (S_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: 44
Temperature: 1.300000
Total energy: -254.355987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.355987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.370240 (E_RNA)
where:
Base-Base interactions energy: -171.010
where: short stacking energy: -66.876
Base-Backbone interact. energy: 0.222
local terms energy: -84.582063
where:
bonds (distance) C4'-P energy: -18.662
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -22.526
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -14.102
Dist. restrs. and SS energy: 1.014 (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: 44
Temperature: 1.350000
Total energy: -201.881102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.881102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.156336 (E_RNA)
where:
Base-Base interactions energy: -132.636
where: short stacking energy: -57.981
Base-Backbone interact. energy: -0.652
local terms energy: -78.868419
where:
bonds (distance) C4'-P energy: -23.402
bonds (distance) P-C4' energy: -23.717
flat angles C4'-P-C4' energy: -10.535
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -11.411
Dist. restrs. and SS energy: 10.275 (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: 9
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -358.281414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.281414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.246439 (E_RNA)
where:
Base-Base interactions energy: -250.257
where: short stacking energy: -94.878
Base-Backbone interact. energy: -1.292
local terms energy: -108.697101
where:
bonds (distance) C4'-P energy: -24.611
bonds (distance) P-C4' energy: -21.783
flat angles C4'-P-C4' energy: -19.130
flat angles P-C4'-P energy: -18.451
tors. eta vs tors. theta energy: -24.722
Dist. restrs. and SS energy: 1.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -359.045257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.045257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.033125 (E_RNA)
where:
Base-Base interactions energy: -252.806
where: short stacking energy: -96.232
Base-Backbone interact. energy: -0.633
local terms energy: -106.594534
where:
bonds (distance) C4'-P energy: -24.378
bonds (distance) P-C4' energy: -23.477
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -27.522
Dist. restrs. and SS energy: 0.988 (S_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: -334.705071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.705071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.870045 (E_RNA)
where:
Base-Base interactions energy: -226.332
where: short stacking energy: -88.472
Base-Backbone interact. energy: 0.256
local terms energy: -109.793951
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -23.674
flat angles C4'-P-C4' energy: -22.943
flat angles P-C4'-P energy: -21.800
tors. eta vs tors. theta energy: -24.072
Dist. restrs. and SS energy: 1.165 (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: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -334.574494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.574494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.653429 (E_RNA)
where:
Base-Base interactions energy: -236.402
where: short stacking energy: -90.530
Base-Backbone interact. energy: 4.170
local terms energy: -102.420868
where:
bonds (distance) C4'-P energy: -18.878
bonds (distance) P-C4' energy: -21.648
flat angles C4'-P-C4' energy: -21.788
flat angles P-C4'-P energy: -15.171
tors. eta vs tors. theta energy: -24.936
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: 45
Temperature: 1.100000
Total energy: -303.653064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.653064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.049065 (E_RNA)
where:
Base-Base interactions energy: -202.724
where: short stacking energy: -87.504
Base-Backbone interact. energy: -1.322
local terms energy: -100.003561
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -20.314
flat angles C4'-P-C4' energy: -21.374
flat angles P-C4'-P energy: -20.454
tors. eta vs tors. theta energy: -20.556
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: 6, replica: 5
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -300.897238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.897238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.335405 (E_RNA)
where:
Base-Base interactions energy: -201.139
where: short stacking energy: -89.472
Base-Backbone interact. energy: 1.553
local terms energy: -102.749464
where:
bonds (distance) C4'-P energy: -21.109
bonds (distance) P-C4' energy: -21.552
flat angles C4'-P-C4' energy: -23.196
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -21.282
Dist. restrs. and SS energy: 1.438 (S_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: 45
Temperature: 1.200000
Total energy: -264.994669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.994669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.506402 (E_RNA)
where:
Base-Base interactions energy: -175.127
where: short stacking energy: -79.352
Base-Backbone interact. energy: -1.032
local terms energy: -96.346982
where:
bonds (distance) C4'-P energy: -21.195
bonds (distance) P-C4' energy: -21.130
flat angles C4'-P-C4' energy: -20.320
flat angles P-C4'-P energy: -16.619
tors. eta vs tors. theta energy: -17.082
Dist. restrs. and SS energy: 7.512 (S_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: 45
Temperature: 1.250000
Total energy: -244.988183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.988183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.971326 (E_RNA)
where:
Base-Base interactions energy: -169.402
where: short stacking energy: -69.947
Base-Backbone interact. energy: -0.348
local terms energy: -80.221493
where:
bonds (distance) C4'-P energy: -21.647
bonds (distance) P-C4' energy: -19.355
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -15.081
Dist. restrs. and SS energy: 4.983 (S_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: 45
Temperature: 1.300000
Total energy: -235.034406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.034406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.261325 (E_RNA)
where:
Base-Base interactions energy: -158.077
where: short stacking energy: -61.953
Base-Backbone interact. energy: 1.280
local terms energy: -82.464087
where:
bonds (distance) C4'-P energy: -19.179
bonds (distance) P-C4' energy: -22.937
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -14.973
tors. eta vs tors. theta energy: -9.274
Dist. restrs. and SS energy: 4.227 (S_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: 45
Temperature: 1.350000
Total energy: -224.124706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.124706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.909126 (E_RNA)
where:
Base-Base interactions energy: -143.731
where: short stacking energy: -55.006
Base-Backbone interact. energy: 0.480
local terms energy: -81.658565
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -23.440
flat angles C4'-P-C4' energy: -21.349
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: -10.552
Dist. restrs. and SS energy: 0.784 (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: 9
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -364.913743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.913743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.838740 (E_RNA)
where:
Base-Base interactions energy: -256.863
where: short stacking energy: -100.317
Base-Backbone interact. energy: -0.496
local terms energy: -109.479740
where:
bonds (distance) C4'-P energy: -20.062
bonds (distance) P-C4' energy: -22.661
flat angles C4'-P-C4' energy: -24.342
flat angles P-C4'-P energy: -15.405
tors. eta vs tors. theta energy: -27.010
Dist. restrs. and SS energy: 1.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -359.021904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.021904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.117061 (E_RNA)
where:
Base-Base interactions energy: -248.820
where: short stacking energy: -98.187
Base-Backbone interact. energy: 0.553
local terms energy: -110.850206
where:
bonds (distance) C4'-P energy: -21.249
bonds (distance) P-C4' energy: -21.886
flat angles C4'-P-C4' energy: -21.214
flat angles P-C4'-P energy: -19.203
tors. eta vs tors. theta energy: -27.298
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: 46
Temperature: 1.000000
Total energy: -348.318164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.318164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.723717 (E_RNA)
where:
Base-Base interactions energy: -240.647
where: short stacking energy: -92.662
Base-Backbone interact. energy: -0.419
local terms energy: -108.656932
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -26.562
flat angles C4'-P-C4' energy: -22.504
flat angles P-C4'-P energy: -16.283
tors. eta vs tors. theta energy: -24.046
Dist. restrs. and SS energy: 1.406 (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: 6
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -319.452800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.452800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.569101 (E_RNA)
where:
Base-Base interactions energy: -219.768
where: short stacking energy: -86.166
Base-Backbone interact. energy: -0.490
local terms energy: -100.310774
where:
bonds (distance) C4'-P energy: -19.646
bonds (distance) P-C4' energy: -20.738
flat angles C4'-P-C4' energy: -20.981
flat angles P-C4'-P energy: -18.059
tors. eta vs tors. theta energy: -20.886
Dist. restrs. and SS energy: 1.116 (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: 5
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -291.084491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.084491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.719179 (E_RNA)
where:
Base-Base interactions energy: -198.296
where: short stacking energy: -81.544
Base-Backbone interact. energy: 3.257
local terms energy: -99.680369
where:
bonds (distance) C4'-P energy: -21.979
bonds (distance) P-C4' energy: -21.188
flat angles C4'-P-C4' energy: -21.206
flat angles P-C4'-P energy: -18.437
tors. eta vs tors. theta energy: -16.871
Dist. restrs. and SS energy: 3.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -293.301837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.301837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.605295 (E_RNA)
where:
Base-Base interactions energy: -196.781
where: short stacking energy: -80.326
Base-Backbone interact. energy: 0.778
local terms energy: -97.602411
where:
bonds (distance) C4'-P energy: -16.267
bonds (distance) P-C4' energy: -20.520
flat angles C4'-P-C4' energy: -21.406
flat angles P-C4'-P energy: -15.052
tors. eta vs tors. theta energy: -24.358
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: 4
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -300.784058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.784058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.666915 (E_RNA)
where:
Base-Base interactions energy: -207.135
where: short stacking energy: -83.408
Base-Backbone interact. energy: -0.752
local terms energy: -94.780515
where:
bonds (distance) C4'-P energy: -22.367
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -20.234
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: -20.486
Dist. restrs. and SS energy: 1.883 (S_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: 46
Temperature: 1.250000
Total energy: -234.893802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.893802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.105015 (E_RNA)
where:
Base-Base interactions energy: -159.162
where: short stacking energy: -70.739
Base-Backbone interact. energy: 1.239
local terms energy: -81.182058
where:
bonds (distance) C4'-P energy: -15.988
bonds (distance) P-C4' energy: -17.833
flat angles C4'-P-C4' energy: -19.996
flat angles P-C4'-P energy: -15.983
tors. eta vs tors. theta energy: -11.382
Dist. restrs. and SS energy: 4.211 (S_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: 46
Temperature: 1.300000
Total energy: -222.026761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.026761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.961282 (E_RNA)
where:
Base-Base interactions energy: -144.637
where: short stacking energy: -65.162
Base-Backbone interact. energy: -0.331
local terms energy: -81.993857
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -20.775
flat angles C4'-P-C4' energy: -20.475
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -12.357
Dist. restrs. and SS energy: 4.935 (S_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: 46
Temperature: 1.350000
Total energy: -235.083725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.083725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.721322 (E_RNA)
where:
Base-Base interactions energy: -157.873
where: short stacking energy: -62.070
Base-Backbone interact. energy: -1.879
local terms energy: -79.969508
where:
bonds (distance) C4'-P energy: -20.467
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -19.326
flat angles P-C4'-P energy: -14.479
tors. eta vs tors. theta energy: -12.784
Dist. restrs. and SS energy: 4.638 (S_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: 47
Temperature: 0.900000
Total energy: -355.689315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.689315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.373789 (E_RNA)
where:
Base-Base interactions energy: -248.226
where: short stacking energy: -96.900
Base-Backbone interact. energy: -0.269
local terms energy: -107.878071
where:
bonds (distance) C4'-P energy: -21.356
bonds (distance) P-C4' energy: -24.786
flat angles C4'-P-C4' energy: -20.650
flat angles P-C4'-P energy: -15.198
tors. eta vs tors. theta energy: -25.889
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: 2, replica: 10
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -359.483808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.483808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.668994 (E_RNA)
where:
Base-Base interactions energy: -250.763
where: short stacking energy: -99.723
Base-Backbone interact. energy: -2.323
local terms energy: -107.583071
where:
bonds (distance) C4'-P energy: -23.216
bonds (distance) P-C4' energy: -19.628
flat angles C4'-P-C4' energy: -22.680
flat angles P-C4'-P energy: -17.253
tors. eta vs tors. theta energy: -24.807
Dist. restrs. and SS energy: 1.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -351.140722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.140722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.431962 (E_RNA)
where:
Base-Base interactions energy: -245.002
where: short stacking energy: -100.376
Base-Backbone interact. energy: -0.510
local terms energy: -106.920358
where:
bonds (distance) C4'-P energy: -23.804
bonds (distance) P-C4' energy: -21.793
flat angles C4'-P-C4' energy: -25.456
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: -22.591
Dist. restrs. and SS energy: 1.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -325.199723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.199723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.257060 (E_RNA)
where:
Base-Base interactions energy: -217.470
where: short stacking energy: -88.400
Base-Backbone interact. energy: -0.715
local terms energy: -107.072050
where:
bonds (distance) C4'-P energy: -25.647
bonds (distance) P-C4' energy: -21.399
flat angles C4'-P-C4' energy: -20.727
flat angles P-C4'-P energy: -15.354
tors. eta vs tors. theta energy: -23.946
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: 5
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -261.972169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.972169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.150908 (E_RNA)
where:
Base-Base interactions energy: -185.082
where: short stacking energy: -59.089
Base-Backbone interact. energy: 0.478
local terms energy: -77.546509
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -19.518
flat angles C4'-P-C4' energy: -20.345
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -13.981
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: 4
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -285.450336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.450336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.040621 (E_RNA)
where:
Base-Base interactions energy: -187.673
where: short stacking energy: -81.792
Base-Backbone interact. energy: -0.169
local terms energy: -100.198323
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -21.553
flat angles C4'-P-C4' energy: -25.538
flat angles P-C4'-P energy: -16.251
tors. eta vs tors. theta energy: -21.273
Dist. restrs. and SS energy: 2.590 (S_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: 47
Temperature: 1.200000
Total energy: -284.939900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.939900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.836954 (E_RNA)
where:
Base-Base interactions energy: -189.918
where: short stacking energy: -77.576
Base-Backbone interact. energy: -0.633
local terms energy: -97.286815
where:
bonds (distance) C4'-P energy: -19.969
bonds (distance) P-C4' energy: -24.765
flat angles C4'-P-C4' energy: -21.205
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -21.127
Dist. restrs. and SS energy: 2.897 (S_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: 47
Temperature: 1.250000
Total energy: -270.157599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.157599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.891673 (E_RNA)
where:
Base-Base interactions energy: -170.648
where: short stacking energy: -68.463
Base-Backbone interact. energy: -0.867
local terms energy: -104.376186
where:
bonds (distance) C4'-P energy: -21.858
bonds (distance) P-C4' energy: -22.525
flat angles C4'-P-C4' energy: -21.496
flat angles P-C4'-P energy: -16.093
tors. eta vs tors. theta energy: -22.404
Dist. restrs. and SS energy: 5.734 (S_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: 47
Temperature: 1.300000
Total energy: -239.121084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.121084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.205461 (E_RNA)
where:
Base-Base interactions energy: -157.698
where: short stacking energy: -52.292
Base-Backbone interact. energy: -0.794
local terms energy: -84.713689
where:
bonds (distance) C4'-P energy: -22.296
bonds (distance) P-C4' energy: -19.331
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -14.606
tors. eta vs tors. theta energy: -12.965
Dist. restrs. and SS energy: 4.084 (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: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -248.035385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.035385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.093514 (E_RNA)
where:
Base-Base interactions energy: -155.732
where: short stacking energy: -76.329
Base-Backbone interact. energy: -0.261
local terms energy: -94.100283
where:
bonds (distance) C4'-P energy: -21.508
bonds (distance) P-C4' energy: -21.023
flat angles C4'-P-C4' energy: -19.572
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -18.866
Dist. restrs. and SS energy: 2.058 (S_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: 48
Temperature: 0.900000
Total energy: -364.411546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.411546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.984996 (E_RNA)
where:
Base-Base interactions energy: -258.533
where: short stacking energy: -93.379
Base-Backbone interact. energy: -0.597
local terms energy: -106.854973
where:
bonds (distance) C4'-P energy: -23.559
bonds (distance) P-C4' energy: -25.995
flat angles C4'-P-C4' energy: -21.745
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -24.917
Dist. restrs. and SS energy: 1.573 (S_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: 48
Temperature: 0.950000
Total energy: -359.563527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.563527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.867734 (E_RNA)
where:
Base-Base interactions energy: -246.556
where: short stacking energy: -105.951
Base-Backbone interact. energy: -0.527
local terms energy: -113.784928
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -21.691
flat angles P-C4'-P energy: -19.181
tors. eta vs tors. theta energy: -31.895
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: 3, replica: 3
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -356.496212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.496212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.830408 (E_RNA)
where:
Base-Base interactions energy: -247.900
where: short stacking energy: -93.530
Base-Backbone interact. energy: 0.143
local terms energy: -110.072736
where:
bonds (distance) C4'-P energy: -20.767
bonds (distance) P-C4' energy: -20.766
flat angles C4'-P-C4' energy: -23.871
flat angles P-C4'-P energy: -17.816
tors. eta vs tors. theta energy: -26.853
Dist. restrs. and SS energy: 1.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -327.321512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.321512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.531658 (E_RNA)
where:
Base-Base interactions energy: -219.325
where: short stacking energy: -95.836
Base-Backbone interact. energy: -0.124
local terms energy: -108.082911
where:
bonds (distance) C4'-P energy: -21.286
bonds (distance) P-C4' energy: -24.563
flat angles C4'-P-C4' energy: -25.290
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -24.836
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: 5, replica: 5
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -258.458156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.458156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.740133 (E_RNA)
where:
Base-Base interactions energy: -173.272
where: short stacking energy: -68.141
Base-Backbone interact. energy: -0.122
local terms energy: -87.346256
where:
bonds (distance) C4'-P energy: -21.021
bonds (distance) P-C4' energy: -18.674
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -16.315
tors. eta vs tors. theta energy: -14.910
Dist. restrs. and SS energy: 2.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -258.622075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.622075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.477114 (E_RNA)
where:
Base-Base interactions energy: -167.932
where: short stacking energy: -66.516
Base-Backbone interact. energy: -1.654
local terms energy: -96.891475
where:
bonds (distance) C4'-P energy: -18.828
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -22.501
flat angles P-C4'-P energy: -16.457
tors. eta vs tors. theta energy: -21.014
Dist. restrs. and SS energy: 7.855 (S_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: 48
Temperature: 1.200000
Total energy: -283.115297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.115297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.678320 (E_RNA)
where:
Base-Base interactions energy: -193.684
where: short stacking energy: -73.337
Base-Backbone interact. energy: -0.810
local terms energy: -89.184062
where:
bonds (distance) C4'-P energy: -19.166
bonds (distance) P-C4' energy: -22.375
flat angles C4'-P-C4' energy: -24.007
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -14.267
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: 7
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -245.004298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.004298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.736063 (E_RNA)
where:
Base-Base interactions energy: -167.391
where: short stacking energy: -67.806
Base-Backbone interact. energy: 0.483
local terms energy: -82.828366
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -25.033
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -5.959
tors. eta vs tors. theta energy: -17.694
Dist. restrs. and SS energy: 4.732 (S_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: 48
Temperature: 1.300000
Total energy: -243.246193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.246193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.158292 (E_RNA)
where:
Base-Base interactions energy: -179.191
where: short stacking energy: -67.282
Base-Backbone interact. energy: -2.149
local terms energy: -64.818047
where:
bonds (distance) C4'-P energy: -11.107
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -6.995
tors. eta vs tors. theta energy: -14.172
Dist. restrs. and SS energy: 2.912 (S_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: 48
Temperature: 1.350000
Total energy: -209.318915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.318915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.928633 (E_RNA)
where:
Base-Base interactions energy: -133.484
where: short stacking energy: -54.448
Base-Backbone interact. energy: -1.129
local terms energy: -77.315109
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -22.972
flat angles C4'-P-C4' energy: -19.153
flat angles P-C4'-P energy: -15.181
tors. eta vs tors. theta energy: -8.950
Dist. restrs. and SS energy: 2.610 (S_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: 49
Temperature: 0.900000
Total energy: -359.325757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.325757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.934267 (E_RNA)
where:
Base-Base interactions energy: -245.841
where: short stacking energy: -101.039
Base-Backbone interact. energy: 0.280
local terms energy: -114.373647
where:
bonds (distance) C4'-P energy: -22.616
bonds (distance) P-C4' energy: -19.797
flat angles C4'-P-C4' energy: -27.279
flat angles P-C4'-P energy: -18.618
tors. eta vs tors. theta energy: -26.064
Dist. restrs. and SS energy: 0.609 (S_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: 49
Temperature: 0.950000
Total energy: -360.246481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.246481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.567273 (E_RNA)
where:
Base-Base interactions energy: -250.034
where: short stacking energy: -102.549
Base-Backbone interact. energy: -0.377
local terms energy: -113.156372
where:
bonds (distance) C4'-P energy: -21.586
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -22.444
flat angles P-C4'-P energy: -20.105
tors. eta vs tors. theta energy: -29.949
Dist. restrs. and SS energy: 3.321 (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: 9
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -346.532690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.532690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.738601 (E_RNA)
where:
Base-Base interactions energy: -243.908
where: short stacking energy: -91.611
Base-Backbone interact. energy: -1.366
local terms energy: -102.464423
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -25.745
flat angles C4'-P-C4' energy: -18.679
flat angles P-C4'-P energy: -18.125
tors. eta vs tors. theta energy: -26.442
Dist. restrs. and SS energy: 1.206 (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: 6
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -331.869901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.869901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.086254 (E_RNA)
where:
Base-Base interactions energy: -241.156
where: short stacking energy: -100.780
Base-Backbone interact. energy: 2.188
local terms energy: -93.118183
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -24.494
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: -23.084
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: 5, replica: 5
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -265.636438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.636438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.141130 (E_RNA)
where:
Base-Base interactions energy: -170.035
where: short stacking energy: -81.304
Base-Backbone interact. energy: -0.665
local terms energy: -95.440946
where:
bonds (distance) C4'-P energy: -20.765
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -20.880
flat angles P-C4'-P energy: -15.537
tors. eta vs tors. theta energy: -20.888
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: 6, replica: 4
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -291.702577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.702577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.889394 (E_RNA)
where:
Base-Base interactions energy: -194.035
where: short stacking energy: -85.246
Base-Backbone interact. energy: -0.352
local terms energy: -100.502200
where:
bonds (distance) C4'-P energy: -23.837
bonds (distance) P-C4' energy: -22.250
flat angles C4'-P-C4' energy: -19.357
flat angles P-C4'-P energy: -16.374
tors. eta vs tors. theta energy: -18.683
Dist. restrs. and SS energy: 3.187 (S_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: 49
Temperature: 1.200000
Total energy: -302.684376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.684376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.300568 (E_RNA)
where:
Base-Base interactions energy: -213.218
where: short stacking energy: -81.799
Base-Backbone interact. energy: -0.468
local terms energy: -89.614355
where:
bonds (distance) C4'-P energy: -16.568
bonds (distance) P-C4' energy: -19.375
flat angles C4'-P-C4' energy: -21.180
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -20.791
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: 8, replica: 7
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -266.189074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.189074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.575376 (E_RNA)
where:
Base-Base interactions energy: -188.740
where: short stacking energy: -69.286
Base-Backbone interact. energy: -0.275
local terms energy: -77.560686
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -21.764
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -13.757
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: 9, replica: 8
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -244.080472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.080472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.354040 (E_RNA)
where:
Base-Base interactions energy: -170.183
where: short stacking energy: -68.286
Base-Backbone interact. energy: -0.280
local terms energy: -78.891077
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -15.787
tors. eta vs tors. theta energy: -14.427
Dist. restrs. and SS energy: 5.274 (S_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: 49
Temperature: 1.350000
Total energy: -219.219209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.219209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.351806 (E_RNA)
where:
Base-Base interactions energy: -147.188
where: short stacking energy: -53.763
Base-Backbone interact. energy: 1.610
local terms energy: -78.774064
where:
bonds (distance) C4'-P energy: -22.082
bonds (distance) P-C4' energy: -11.611
flat angles C4'-P-C4' energy: -21.590
flat angles P-C4'-P energy: -15.521
tors. eta vs tors. theta energy: -7.970
Dist. restrs. and SS energy: 5.133 (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: 3
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -373.831250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.831250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.334765 (E_RNA)
where:
Base-Base interactions energy: -262.901
where: short stacking energy: -91.742
Base-Backbone interact. energy: -0.679
local terms energy: -111.755181
where:
bonds (distance) C4'-P energy: -19.713
bonds (distance) P-C4' energy: -24.030
flat angles C4'-P-C4' energy: -20.920
flat angles P-C4'-P energy: -18.615
tors. eta vs tors. theta energy: -28.478
Dist. restrs. and SS energy: 1.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -356.350977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.350977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.878723 (E_RNA)
where:
Base-Base interactions energy: -242.586
where: short stacking energy: -98.464
Base-Backbone interact. energy: 0.165
local terms energy: -114.457069
where:
bonds (distance) C4'-P energy: -21.162
bonds (distance) P-C4' energy: -23.852
flat angles C4'-P-C4' energy: -24.179
flat angles P-C4'-P energy: -17.998
tors. eta vs tors. theta energy: -27.266
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: 3, replica: 9
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -339.504005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.504005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.615421 (E_RNA)
where:
Base-Base interactions energy: -242.539
where: short stacking energy: -95.383
Base-Backbone interact. energy: -0.605
local terms energy: -97.472082
where:
bonds (distance) C4'-P energy: -18.741
bonds (distance) P-C4' energy: -18.438
flat angles C4'-P-C4' energy: -19.769
flat angles P-C4'-P energy: -16.215
tors. eta vs tors. theta energy: -24.309
Dist. restrs. and SS energy: 1.111 (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: 6
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -304.141608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.141608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.232666 (E_RNA)
where:
Base-Base interactions energy: -214.027
where: short stacking energy: -76.290
Base-Backbone interact. energy: -0.348
local terms energy: -90.857269
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -21.383
flat angles C4'-P-C4' energy: -22.278
flat angles P-C4'-P energy: -14.406
tors. eta vs tors. theta energy: -18.823
Dist. restrs. and SS energy: 1.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -299.248039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.248039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.933330 (E_RNA)
where:
Base-Base interactions energy: -210.586
where: short stacking energy: -82.916
Base-Backbone interact. energy: -0.466
local terms energy: -88.880970
where:
bonds (distance) C4'-P energy: -19.790
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -22.774
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: -17.393
Dist. restrs. and SS energy: 0.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -250.650488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.650488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.187255 (E_RNA)
where:
Base-Base interactions energy: -160.589
where: short stacking energy: -70.405
Base-Backbone interact. energy: 1.378
local terms energy: -93.975705
where:
bonds (distance) C4'-P energy: -22.392
bonds (distance) P-C4' energy: -19.003
flat angles C4'-P-C4' energy: -21.896
flat angles P-C4'-P energy: -14.520
tors. eta vs tors. theta energy: -16.165
Dist. restrs. and SS energy: 2.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -260.064843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.064843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.019546 (E_RNA)
where:
Base-Base interactions energy: -178.994
where: short stacking energy: -68.241
Base-Backbone interact. energy: -0.550
local terms energy: -81.475475
where:
bonds (distance) C4'-P energy: -13.799
bonds (distance) P-C4' energy: -22.766
flat angles C4'-P-C4' energy: -21.393
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -12.062
Dist. restrs. and SS energy: 0.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -311.752957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.752957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.652845 (E_RNA)
where:
Base-Base interactions energy: -210.296
where: short stacking energy: -92.790
Base-Backbone interact. energy: -1.527
local terms energy: -100.830103
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -22.869
flat angles C4'-P-C4' energy: -23.992
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -29.541
Dist. restrs. and SS energy: 0.900 (S_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: 50
Temperature: 1.300000
Total energy: -228.802885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.802885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.680665 (E_RNA)
where:
Base-Base interactions energy: -146.086
where: short stacking energy: -63.159
Base-Backbone interact. energy: -0.580
local terms energy: -87.014196
where:
bonds (distance) C4'-P energy: -24.495
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -23.151
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -11.795
Dist. restrs. and SS energy: 4.878 (S_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: 50
Temperature: 1.350000
Total energy: -197.704312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.704312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.886519 (E_RNA)
where:
Base-Base interactions energy: -134.235
where: short stacking energy: -55.322
Base-Backbone interact. energy: -0.060
local terms energy: -63.590841
where:
bonds (distance) C4'-P energy: -21.008
bonds (distance) P-C4' energy: -9.246
flat angles C4'-P-C4' energy: -8.760
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -14.405
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: 3
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -374.123686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.123686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.618972 (E_RNA)
where:
Base-Base interactions energy: -256.682
where: short stacking energy: -101.742
Base-Backbone interact. energy: -0.950
local terms energy: -117.986962
where:
bonds (distance) C4'-P energy: -21.030
bonds (distance) P-C4' energy: -25.004
flat angles C4'-P-C4' energy: -25.359
flat angles P-C4'-P energy: -15.320
tors. eta vs tors. theta energy: -31.274
Dist. restrs. and SS energy: 1.495 (S_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: 51
Temperature: 0.950000
Total energy: -349.984274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.984274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.229883 (E_RNA)
where:
Base-Base interactions energy: -238.342
where: short stacking energy: -91.286
Base-Backbone interact. energy: -1.092
local terms energy: -110.795352
where:
bonds (distance) C4'-P energy: -24.114
bonds (distance) P-C4' energy: -18.980
flat angles C4'-P-C4' energy: -20.703
flat angles P-C4'-P energy: -18.091
tors. eta vs tors. theta energy: -28.907
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: 51
Temperature: 1.000000
Total energy: -355.651876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.651876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.277308 (E_RNA)
where:
Base-Base interactions energy: -250.747
where: short stacking energy: -98.592
Base-Backbone interact. energy: -0.516
local terms energy: -106.014678
where:
bonds (distance) C4'-P energy: -24.546
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -17.655
tors. eta vs tors. theta energy: -24.633
Dist. restrs. and SS energy: 1.625 (S_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: 51
Temperature: 1.050000
Total energy: -294.460217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.460217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.157761 (E_RNA)
where:
Base-Base interactions energy: -188.719
where: short stacking energy: -82.516
Base-Backbone interact. energy: -0.203
local terms energy: -106.236073
where:
bonds (distance) C4'-P energy: -20.674
bonds (distance) P-C4' energy: -25.473
flat angles C4'-P-C4' energy: -18.186
flat angles P-C4'-P energy: -15.551
tors. eta vs tors. theta energy: -26.352
Dist. restrs. and SS energy: 0.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -318.712564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.712564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.281058 (E_RNA)
where:
Base-Base interactions energy: -221.994
where: short stacking energy: -80.285
Base-Backbone interact. energy: -0.290
local terms energy: -97.996711
where:
bonds (distance) C4'-P energy: -19.431
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -21.088
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -21.489
Dist. restrs. and SS energy: 1.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -254.306064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.306064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.674973 (E_RNA)
where:
Base-Base interactions energy: -171.048
where: short stacking energy: -77.892
Base-Backbone interact. energy: -0.577
local terms energy: -83.050066
where:
bonds (distance) C4'-P energy: -23.279
bonds (distance) P-C4' energy: -20.413
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -4.441
tors. eta vs tors. theta energy: -17.026
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: 7, replica: 7
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -254.752791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.752791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.871093 (E_RNA)
where:
Base-Base interactions energy: -160.688
where: short stacking energy: -71.708
Base-Backbone interact. energy: -0.243
local terms energy: -98.939997
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -26.147
flat angles C4'-P-C4' energy: -21.273
flat angles P-C4'-P energy: -16.827
tors. eta vs tors. theta energy: -17.696
Dist. restrs. and SS energy: 5.118 (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: 2
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -306.685070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.685070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.448680 (E_RNA)
where:
Base-Base interactions energy: -214.404
where: short stacking energy: -83.697
Base-Backbone interact. energy: -1.003
local terms energy: -93.041913
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -22.386
flat angles P-C4'-P energy: -14.519
tors. eta vs tors. theta energy: -23.991
Dist. restrs. and SS energy: 1.764 (S_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: 51
Temperature: 1.300000
Total energy: -251.588828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.588828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.114937 (E_RNA)
where:
Base-Base interactions energy: -169.517
where: short stacking energy: -58.583
Base-Backbone interact. energy: 0.415
local terms energy: -89.012480
where:
bonds (distance) C4'-P energy: -16.530
bonds (distance) P-C4' energy: -27.081
flat angles C4'-P-C4' energy: -21.334
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -11.170
Dist. restrs. and SS energy: 6.526 (S_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: 51
Temperature: 1.350000
Total energy: -221.000771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.000771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.982980 (E_RNA)
where:
Base-Base interactions energy: -141.772
where: short stacking energy: -57.843
Base-Backbone interact. energy: -0.672
local terms energy: -86.539052
where:
bonds (distance) C4'-P energy: -23.809
bonds (distance) P-C4' energy: -23.376
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -9.562
Dist. restrs. and SS energy: 7.982 (S_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: 52
Temperature: 0.900000
Total energy: -370.021504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.021504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.993739 (E_RNA)
where:
Base-Base interactions energy: -256.836
where: short stacking energy: -91.432
Base-Backbone interact. energy: 1.647
local terms energy: -115.804766
where:
bonds (distance) C4'-P energy: -24.318
bonds (distance) P-C4' energy: -22.818
flat angles C4'-P-C4' energy: -25.564
flat angles P-C4'-P energy: -16.396
tors. eta vs tors. theta energy: -26.709
Dist. restrs. and SS energy: 0.972 (S_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: 52
Temperature: 0.950000
Total energy: -360.522809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.522809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.872862 (E_RNA)
where:
Base-Base interactions energy: -248.983
where: short stacking energy: -96.142
Base-Backbone interact. energy: -0.121
local terms energy: -112.768908
where:
bonds (distance) C4'-P energy: -18.730
bonds (distance) P-C4' energy: -25.589
flat angles C4'-P-C4' energy: -21.040
flat angles P-C4'-P energy: -17.727
tors. eta vs tors. theta energy: -29.683
Dist. restrs. and SS energy: 1.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -356.124131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.124131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.039585 (E_RNA)
where:
Base-Base interactions energy: -247.798
where: short stacking energy: -99.193
Base-Backbone interact. energy: -0.380
local terms energy: -109.861530
where:
bonds (distance) C4'-P energy: -20.263
bonds (distance) P-C4' energy: -24.874
flat angles C4'-P-C4' energy: -22.071
flat angles P-C4'-P energy: -15.268
tors. eta vs tors. theta energy: -27.386
Dist. restrs. and SS energy: 1.915 (S_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: 52
Temperature: 1.050000
Total energy: -298.398675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.398675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.228984 (E_RNA)
where:
Base-Base interactions energy: -205.546
where: short stacking energy: -90.583
Base-Backbone interact. energy: -0.265
local terms energy: -95.417839
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -21.277
flat angles P-C4'-P energy: -17.439
tors. eta vs tors. theta energy: -20.230
Dist. restrs. and SS energy: 2.830 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -302.909059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.909059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.863927 (E_RNA)
where:
Base-Base interactions energy: -202.342
where: short stacking energy: -86.898
Base-Backbone interact. energy: 1.813
local terms energy: -105.334542
where:
bonds (distance) C4'-P energy: -20.879
bonds (distance) P-C4' energy: -25.383
flat angles C4'-P-C4' energy: -23.552
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -22.031
Dist. restrs. and SS energy: 2.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -252.363734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.363734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.790129 (E_RNA)
where:
Base-Base interactions energy: -173.852
where: short stacking energy: -62.866
Base-Backbone interact. energy: -1.029
local terms energy: -77.909663
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -21.392
flat angles C4'-P-C4' energy: -19.366
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -12.157
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: 7, replica: 2
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -303.195378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.195378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.714146 (E_RNA)
where:
Base-Base interactions energy: -211.100
where: short stacking energy: -81.172
Base-Backbone interact. energy: -1.312
local terms energy: -91.301807
where:
bonds (distance) C4'-P energy: -19.332
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -14.280
tors. eta vs tors. theta energy: -25.205
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: 7
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -263.034159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.034159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.799807 (E_RNA)
where:
Base-Base interactions energy: -174.068
where: short stacking energy: -78.681
Base-Backbone interact. energy: -0.966
local terms energy: -89.765464
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -18.052
flat angles C4'-P-C4' energy: -22.823
flat angles P-C4'-P energy: -14.336
tors. eta vs tors. theta energy: -18.729
Dist. restrs. and SS energy: 1.766 (S_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: 52
Temperature: 1.300000
Total energy: -251.229076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.229076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.959637 (E_RNA)
where:
Base-Base interactions energy: -171.883
where: short stacking energy: -81.315
Base-Backbone interact. energy: -0.299
local terms energy: -82.777553
where:
bonds (distance) C4'-P energy: -9.326
bonds (distance) P-C4' energy: -16.292
flat angles C4'-P-C4' energy: -22.817
flat angles P-C4'-P energy: -15.820
tors. eta vs tors. theta energy: -18.524
Dist. restrs. and SS energy: 3.731 (S_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: 52
Temperature: 1.350000
Total energy: -225.924204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.924204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.250199 (E_RNA)
where:
Base-Base interactions energy: -155.368
where: short stacking energy: -65.572
Base-Backbone interact. energy: -0.247
local terms energy: -74.635316
where:
bonds (distance) C4'-P energy: -19.329
bonds (distance) P-C4' energy: -15.801
flat angles C4'-P-C4' energy: -22.363
flat angles P-C4'-P energy: -13.078
tors. eta vs tors. theta energy: -4.064
Dist. restrs. and SS energy: 4.326 (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: 9
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -360.346711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.346711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.391035 (E_RNA)
where:
Base-Base interactions energy: -251.921
where: short stacking energy: -99.314
Base-Backbone interact. energy: -1.365
local terms energy: -108.104861
where:
bonds (distance) C4'-P energy: -19.932
bonds (distance) P-C4' energy: -24.099
flat angles C4'-P-C4' energy: -19.200
flat angles P-C4'-P energy: -12.632
tors. eta vs tors. theta energy: -32.242
Dist. restrs. and SS energy: 1.044 (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: 3
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -362.443577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.443577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.915960 (E_RNA)
where:
Base-Base interactions energy: -244.992
where: short stacking energy: -99.952
Base-Backbone interact. energy: -0.922
local terms energy: -118.001376
where:
bonds (distance) C4'-P energy: -24.053
bonds (distance) P-C4' energy: -24.075
flat angles C4'-P-C4' energy: -25.873
flat angles P-C4'-P energy: -18.107
tors. eta vs tors. theta energy: -25.894
Dist. restrs. and SS energy: 1.472 (S_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: 53
Temperature: 1.000000
Total energy: -352.136049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.136049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.200371 (E_RNA)
where:
Base-Base interactions energy: -239.457
where: short stacking energy: -86.477
Base-Backbone interact. energy: -0.785
local terms energy: -112.958182
where:
bonds (distance) C4'-P energy: -21.286
bonds (distance) P-C4' energy: -22.774
flat angles C4'-P-C4' energy: -26.150
flat angles P-C4'-P energy: -15.778
tors. eta vs tors. theta energy: -26.970
Dist. restrs. and SS energy: 1.064 (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: 53
Temperature: 1.050000
Total energy: -322.474059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.474059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.149982 (E_RNA)
where:
Base-Base interactions energy: -221.279
where: short stacking energy: -88.071
Base-Backbone interact. energy: -1.904
local terms energy: -99.967875
where:
bonds (distance) C4'-P energy: -9.591
bonds (distance) P-C4' energy: -21.360
flat angles C4'-P-C4' energy: -23.460
flat angles P-C4'-P energy: -21.341
tors. eta vs tors. theta energy: -24.216
Dist. restrs. and SS energy: 0.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -315.826058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.826058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.316533 (E_RNA)
where:
Base-Base interactions energy: -223.981
where: short stacking energy: -83.899
Base-Backbone interact. energy: -0.529
local terms energy: -91.806760
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -19.703
flat angles P-C4'-P energy: -15.713
tors. eta vs tors. theta energy: -21.990
Dist. restrs. and SS energy: 0.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -338.094578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.094578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.396467 (E_RNA)
where:
Base-Base interactions energy: -239.196
where: short stacking energy: -94.989
Base-Backbone interact. energy: -0.754
local terms energy: -100.446251
where:
bonds (distance) C4'-P energy: -22.029
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -23.907
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -27.715
Dist. restrs. and SS energy: 2.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -247.423328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.423328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.738030 (E_RNA)
where:
Base-Base interactions energy: -164.493
where: short stacking energy: -70.034
Base-Backbone interact. energy: -0.399
local terms energy: -82.846053
where:
bonds (distance) C4'-P energy: -19.826
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -21.806
flat angles P-C4'-P energy: -6.834
tors. eta vs tors. theta energy: -17.135
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: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -251.317440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.317440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.577699 (E_RNA)
where:
Base-Base interactions energy: -169.903
where: short stacking energy: -62.780
Base-Backbone interact. energy: 1.854
local terms energy: -83.529209
where:
bonds (distance) C4'-P energy: -21.828
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -16.443
tors. eta vs tors. theta energy: -17.027
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: 9, replica: 7
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -254.640778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.640778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.188007 (E_RNA)
where:
Base-Base interactions energy: -166.987
where: short stacking energy: -66.324
Base-Backbone interact. energy: -0.488
local terms energy: -90.712666
where:
bonds (distance) C4'-P energy: -21.328
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -23.737
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -16.949
Dist. restrs. and SS energy: 3.547 (S_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: 53
Temperature: 1.350000
Total energy: -246.160543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.160543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.858542 (E_RNA)
where:
Base-Base interactions energy: -160.423
where: short stacking energy: -62.322
Base-Backbone interact. energy: -0.242
local terms energy: -86.193912
where:
bonds (distance) C4'-P energy: -21.900
bonds (distance) P-C4' energy: -21.705
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -16.893
Dist. restrs. and SS energy: 0.698 (S_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: 54
Temperature: 0.900000
Total energy: -380.554614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.554614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.068459 (E_RNA)
where:
Base-Base interactions energy: -266.872
where: short stacking energy: -102.481
Base-Backbone interact. energy: -0.732
local terms energy: -114.464714
where:
bonds (distance) C4'-P energy: -21.296
bonds (distance) P-C4' energy: -27.629
flat angles C4'-P-C4' energy: -22.817
flat angles P-C4'-P energy: -16.240
tors. eta vs tors. theta energy: -26.482
Dist. restrs. and SS energy: 1.514 (S_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: 54
Temperature: 0.950000
Total energy: -363.614472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.614472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.828665 (E_RNA)
where:
Base-Base interactions energy: -254.680
where: short stacking energy: -99.982
Base-Backbone interact. energy: -0.458
local terms energy: -109.690632
where:
bonds (distance) C4'-P energy: -22.819
bonds (distance) P-C4' energy: -24.173
flat angles C4'-P-C4' energy: -22.206
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -26.016
Dist. restrs. and SS energy: 1.214 (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: 10
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -363.299673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.299673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.695556 (E_RNA)
where:
Base-Base interactions energy: -251.289
where: short stacking energy: -104.899
Base-Backbone interact. energy: -0.801
local terms energy: -112.605676
where:
bonds (distance) C4'-P energy: -25.248
bonds (distance) P-C4' energy: -24.074
flat angles C4'-P-C4' energy: -19.685
flat angles P-C4'-P energy: -13.880
tors. eta vs tors. theta energy: -29.719
Dist. restrs. and SS energy: 1.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -323.026371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.026371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.746250 (E_RNA)
where:
Base-Base interactions energy: -220.993
where: short stacking energy: -89.504
Base-Backbone interact. energy: -0.772
local terms energy: -102.981184
where:
bonds (distance) C4'-P energy: -20.335
bonds (distance) P-C4' energy: -26.756
flat angles C4'-P-C4' energy: -18.526
flat angles P-C4'-P energy: -13.149
tors. eta vs tors. theta energy: -24.214
Dist. restrs. and SS energy: 1.720 (S_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: 54
Temperature: 1.100000
Total energy: -338.196429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.196429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.027875 (E_RNA)
where:
Base-Base interactions energy: -238.030
where: short stacking energy: -88.274
Base-Backbone interact. energy: -1.701
local terms energy: -100.296830
where:
bonds (distance) C4'-P energy: -19.613
bonds (distance) P-C4' energy: -19.481
flat angles C4'-P-C4' energy: -17.651
flat angles P-C4'-P energy: -16.204
tors. eta vs tors. theta energy: -27.347
Dist. restrs. and SS energy: 1.831 (S_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: 54
Temperature: 1.150000
Total energy: -293.295426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.295426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.864351 (E_RNA)
where:
Base-Base interactions energy: -203.602
where: short stacking energy: -85.678
Base-Backbone interact. energy: 0.524
local terms energy: -92.786253
where:
bonds (distance) C4'-P energy: -24.662
bonds (distance) P-C4' energy: -22.417
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -14.150
tors. eta vs tors. theta energy: -20.507
Dist. restrs. and SS energy: 2.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -279.126959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.126959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.676088 (E_RNA)
where:
Base-Base interactions energy: -185.777
where: short stacking energy: -81.242
Base-Backbone interact. energy: -0.162
local terms energy: -95.736349
where:
bonds (distance) C4'-P energy: -18.401
bonds (distance) P-C4' energy: -24.584
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -15.239
tors. eta vs tors. theta energy: -21.035
Dist. restrs. and SS energy: 2.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -217.755814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.755814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.640558 (E_RNA)
where:
Base-Base interactions energy: -133.914
where: short stacking energy: -62.604
Base-Backbone interact. energy: -0.994
local terms energy: -89.732533
where:
bonds (distance) C4'-P energy: -24.305
bonds (distance) P-C4' energy: -20.521
flat angles C4'-P-C4' energy: -20.554
flat angles P-C4'-P energy: -14.786
tors. eta vs tors. theta energy: -9.566
Dist. restrs. and SS energy: 6.885 (S_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: 54
Temperature: 1.300000
Total energy: -261.562886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.562886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.734753 (E_RNA)
where:
Base-Base interactions energy: -171.115
where: short stacking energy: -82.386
Base-Backbone interact. energy: -0.329
local terms energy: -93.290766
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -19.625
flat angles C4'-P-C4' energy: -23.906
flat angles P-C4'-P energy: -14.834
tors. eta vs tors. theta energy: -22.313
Dist. restrs. and SS energy: 3.172 (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: 7
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -252.897390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.897390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.011674 (E_RNA)
where:
Base-Base interactions energy: -167.148
where: short stacking energy: -66.719
Base-Backbone interact. energy: -0.410
local terms energy: -87.454068
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -18.680
flat angles P-C4'-P energy: -16.111
tors. eta vs tors. theta energy: -21.046
Dist. restrs. and SS energy: 2.114 (S_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: 55
Temperature: 0.900000
Total energy: -375.607287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.607287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.313086 (E_RNA)
where:
Base-Base interactions energy: -256.979
where: short stacking energy: -104.580
Base-Backbone interact. energy: 0.155
local terms energy: -119.489081
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -23.436
flat angles C4'-P-C4' energy: -25.951
flat angles P-C4'-P energy: -20.660
tors. eta vs tors. theta energy: -31.650
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: 2, replica: 3
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -355.183343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.183343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.860558 (E_RNA)
where:
Base-Base interactions energy: -246.927
where: short stacking energy: -94.578
Base-Backbone interact. energy: 1.009
local terms energy: -110.942613
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -22.333
flat angles C4'-P-C4' energy: -26.536
flat angles P-C4'-P energy: -16.164
tors. eta vs tors. theta energy: -25.396
Dist. restrs. and SS energy: 1.677 (S_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: 55
Temperature: 1.000000
Total energy: -345.811205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.811205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.255580 (E_RNA)
where:
Base-Base interactions energy: -237.145
where: short stacking energy: -95.862
Base-Backbone interact. energy: -1.151
local terms energy: -108.959761
where:
bonds (distance) C4'-P energy: -22.613
bonds (distance) P-C4' energy: -21.636
flat angles C4'-P-C4' energy: -19.812
flat angles P-C4'-P energy: -17.758
tors. eta vs tors. theta energy: -27.141
Dist. restrs. and SS energy: 1.444 (S_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: 55
Temperature: 1.050000
Total energy: -330.161088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.161088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.878520 (E_RNA)
where:
Base-Base interactions energy: -227.226
where: short stacking energy: -88.170
Base-Backbone interact. energy: -1.654
local terms energy: -101.998988
where:
bonds (distance) C4'-P energy: -18.508
bonds (distance) P-C4' energy: -27.142
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -15.319
tors. eta vs tors. theta energy: -24.178
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: 5, replica: 6
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -307.130921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.130921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.909779 (E_RNA)
where:
Base-Base interactions energy: -198.900
where: short stacking energy: -85.184
Base-Backbone interact. energy: -0.530
local terms energy: -108.479892
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -18.985
flat angles C4'-P-C4' energy: -24.522
flat angles P-C4'-P energy: -17.093
tors. eta vs tors. theta energy: -28.901
Dist. restrs. and SS energy: 0.779 (S_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: 55
Temperature: 1.150000
Total energy: -270.119175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.119175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.371860 (E_RNA)
where:
Base-Base interactions energy: -176.530
where: short stacking energy: -66.277
Base-Backbone interact. energy: -0.492
local terms energy: -93.349397
where:
bonds (distance) C4'-P energy: -25.368
bonds (distance) P-C4' energy: -25.359
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -15.987
tors. eta vs tors. theta energy: -14.840
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: 8
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -276.358611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.358611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.416049 (E_RNA)
where:
Base-Base interactions energy: -183.570
where: short stacking energy: -73.480
Base-Backbone interact. energy: 2.224
local terms energy: -97.070115
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -23.798
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -23.835
Dist. restrs. and SS energy: 2.057 (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: 1
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -254.395515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.395515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.827226 (E_RNA)
where:
Base-Base interactions energy: -171.845
where: short stacking energy: -71.103
Base-Backbone interact. energy: -2.995
local terms energy: -81.986888
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -21.059
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -20.681
Dist. restrs. and SS energy: 2.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -231.917556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.917556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.904606 (E_RNA)
where:
Base-Base interactions energy: -156.119
where: short stacking energy: -61.527
Base-Backbone interact. energy: -2.327
local terms energy: -79.458255
where:
bonds (distance) C4'-P energy: -24.587
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -14.893
tors. eta vs tors. theta energy: -11.385
Dist. restrs. and SS energy: 5.987 (S_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: 55
Temperature: 1.350000
Total energy: -192.974204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.974204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.244574 (E_RNA)
where:
Base-Base interactions energy: -139.014
where: short stacking energy: -57.483
Base-Backbone interact. energy: -1.012
local terms energy: -65.218931
where:
bonds (distance) C4'-P energy: -21.883
bonds (distance) P-C4' energy: -5.045
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -10.929
Dist. restrs. and SS energy: 12.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -367.486767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.486767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.288906 (E_RNA)
where:
Base-Base interactions energy: -255.920
where: short stacking energy: -105.247
Base-Backbone interact. energy: -0.503
local terms energy: -112.865656
where:
bonds (distance) C4'-P energy: -17.047
bonds (distance) P-C4' energy: -21.757
flat angles C4'-P-C4' energy: -27.285
flat angles P-C4'-P energy: -17.404
tors. eta vs tors. theta energy: -29.373
Dist. restrs. and SS energy: 1.802 (S_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: 56
Temperature: 0.950000
Total energy: -362.285700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.285700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.199061 (E_RNA)
where:
Base-Base interactions energy: -243.979
where: short stacking energy: -104.542
Base-Backbone interact. energy: 0.027
local terms energy: -119.246296
where:
bonds (distance) C4'-P energy: -21.485
bonds (distance) P-C4' energy: -24.562
flat angles C4'-P-C4' energy: -24.181
flat angles P-C4'-P energy: -19.152
tors. eta vs tors. theta energy: -29.867
Dist. restrs. and SS energy: 0.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -357.798769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.798769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.463651 (E_RNA)
where:
Base-Base interactions energy: -250.707
where: short stacking energy: -97.054
Base-Backbone interact. energy: -2.091
local terms energy: -105.665697
where:
bonds (distance) C4'-P energy: -19.094
bonds (distance) P-C4' energy: -19.558
flat angles C4'-P-C4' energy: -25.919
flat angles P-C4'-P energy: -15.809
tors. eta vs tors. theta energy: -25.285
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: 4, replica: 10
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -354.490673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.490673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.122479 (E_RNA)
where:
Base-Base interactions energy: -243.208
where: short stacking energy: -86.328
Base-Backbone interact. energy: 1.084
local terms energy: -112.998681
where:
bonds (distance) C4'-P energy: -22.579
bonds (distance) P-C4' energy: -22.199
flat angles C4'-P-C4' energy: -26.386
flat angles P-C4'-P energy: -14.441
tors. eta vs tors. theta energy: -27.394
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: 4
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -308.969516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.969516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.179583 (E_RNA)
where:
Base-Base interactions energy: -218.730
where: short stacking energy: -76.304
Base-Backbone interact. energy: 1.036
local terms energy: -91.485622
where:
bonds (distance) C4'-P energy: -22.139
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -20.295
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -18.192
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: 6, replica: 6
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -297.370884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.370884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.723010 (E_RNA)
where:
Base-Base interactions energy: -209.834
where: short stacking energy: -81.162
Base-Backbone interact. energy: -0.597
local terms energy: -87.292238
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -25.348
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -21.510
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: 7, replica: 8
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -259.719835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.719835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.691085 (E_RNA)
where:
Base-Base interactions energy: -170.827
where: short stacking energy: -61.330
Base-Backbone interact. energy: 0.464
local terms energy: -90.328058
where:
bonds (distance) C4'-P energy: -20.003
bonds (distance) P-C4' energy: -23.890
flat angles C4'-P-C4' energy: -22.105
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -12.702
Dist. restrs. and SS energy: 0.971 (S_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: 56
Temperature: 1.250000
Total energy: -260.334692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.334692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.171958 (E_RNA)
where:
Base-Base interactions energy: -168.491
where: short stacking energy: -72.148
Base-Backbone interact. energy: -1.020
local terms energy: -93.660716
where:
bonds (distance) C4'-P energy: -17.917
bonds (distance) P-C4' energy: -24.932
flat angles C4'-P-C4' energy: -18.002
flat angles P-C4'-P energy: -13.960
tors. eta vs tors. theta energy: -18.849
Dist. restrs. and SS energy: 2.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -231.584924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.584924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.489210 (E_RNA)
where:
Base-Base interactions energy: -150.576
where: short stacking energy: -53.844
Base-Backbone interact. energy: -0.825
local terms energy: -83.087370
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -21.194
flat angles C4'-P-C4' energy: -19.497
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -13.070
Dist. restrs. and SS energy: 2.904 (S_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: 56
Temperature: 1.350000
Total energy: -202.542322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.542322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.441800 (E_RNA)
where:
Base-Base interactions energy: -130.304
where: short stacking energy: -53.486
Base-Backbone interact. energy: -0.986
local terms energy: -75.152470
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -22.105
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -11.917
Dist. restrs. and SS energy: 3.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -368.900994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.900994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.697079 (E_RNA)
where:
Base-Base interactions energy: -256.511
where: short stacking energy: -106.794
Base-Backbone interact. energy: 0.519
local terms energy: -114.704734
where:
bonds (distance) C4'-P energy: -26.065
bonds (distance) P-C4' energy: -18.712
flat angles C4'-P-C4' energy: -25.309
flat angles P-C4'-P energy: -16.781
tors. eta vs tors. theta energy: -27.838
Dist. restrs. and SS energy: 1.796 (S_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: 57
Temperature: 0.950000
Total energy: -361.272289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.272289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.152198 (E_RNA)
where:
Base-Base interactions energy: -254.197
where: short stacking energy: -108.304
Base-Backbone interact. energy: -0.735
local terms energy: -107.220355
where:
bonds (distance) C4'-P energy: -18.256
bonds (distance) P-C4' energy: -24.839
flat angles C4'-P-C4' energy: -18.689
flat angles P-C4'-P energy: -14.704
tors. eta vs tors. theta energy: -30.732
Dist. restrs. and SS energy: 0.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -343.452054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.452054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.625365 (E_RNA)
where:
Base-Base interactions energy: -244.875
where: short stacking energy: -94.951
Base-Backbone interact. energy: -0.394
local terms energy: -99.356775
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -18.750
flat angles C4'-P-C4' energy: -20.537
flat angles P-C4'-P energy: -15.850
tors. eta vs tors. theta energy: -25.997
Dist. restrs. and SS energy: 1.173 (S_DIST_RNA)
chem. 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: -350.649408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.649408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.721031 (E_RNA)
where:
Base-Base interactions energy: -244.966
where: short stacking energy: -98.763
Base-Backbone interact. energy: -0.517
local terms energy: -106.238820
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -23.050
flat angles C4'-P-C4' energy: -19.250
flat angles P-C4'-P energy: -16.027
tors. eta vs tors. theta energy: -30.426
Dist. restrs. and SS energy: 1.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -296.111335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.111335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.326414 (E_RNA)
where:
Base-Base interactions energy: -190.788
where: short stacking energy: -75.790
Base-Backbone interact. energy: 0.019
local terms energy: -106.557156
where:
bonds (distance) C4'-P energy: -21.800
bonds (distance) P-C4' energy: -22.359
flat angles C4'-P-C4' energy: -23.859
flat angles P-C4'-P energy: -18.528
tors. eta vs tors. theta energy: -20.011
Dist. restrs. and SS energy: 1.215 (S_DIST_RNA)
chem. 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: -291.273862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.273862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.869235 (E_RNA)
where:
Base-Base interactions energy: -195.385
where: short stacking energy: -89.134
Base-Backbone interact. energy: -1.198
local terms energy: -96.285851
where:
bonds (distance) C4'-P energy: -19.526
bonds (distance) P-C4' energy: -18.033
flat angles C4'-P-C4' energy: -26.776
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -20.103
Dist. restrs. and SS energy: 1.595 (S_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: 57
Temperature: 1.200000
Total energy: -259.561015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.561015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.476144 (E_RNA)
where:
Base-Base interactions energy: -175.297
where: short stacking energy: -74.664
Base-Backbone interact. energy: -0.271
local terms energy: -85.908068
where:
bonds (distance) C4'-P energy: -20.511
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -19.059
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -19.238
Dist. restrs. and SS energy: 1.915 (S_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: 57
Temperature: 1.250000
Total energy: -247.097827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.097827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.803335 (E_RNA)
where:
Base-Base interactions energy: -160.098
where: short stacking energy: -65.325
Base-Backbone interact. energy: -0.157
local terms energy: -90.548479
where:
bonds (distance) C4'-P energy: -23.175
bonds (distance) P-C4' energy: -24.380
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -13.185
tors. eta vs tors. theta energy: -17.496
Dist. restrs. and SS energy: 3.706 (S_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: 57
Temperature: 1.300000
Total energy: -210.463202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.463202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.392388 (E_RNA)
where:
Base-Base interactions energy: -141.312
where: short stacking energy: -64.495
Base-Backbone interact. energy: -1.108
local terms energy: -75.972146
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -13.255
Dist. restrs. and SS energy: 7.929 (S_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: 57
Temperature: 1.350000
Total energy: -236.476170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.476170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.743025 (E_RNA)
where:
Base-Base interactions energy: -173.339
where: short stacking energy: -73.907
Base-Backbone interact. energy: -0.542
local terms energy: -62.861762
where:
bonds (distance) C4'-P energy: -11.074
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -10.450
flat angles P-C4'-P energy: -15.129
tors. eta vs tors. theta energy: -12.978
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: 1, replica: 9
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -371.448008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.448008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.658777 (E_RNA)
where:
Base-Base interactions energy: -264.644
where: short stacking energy: -98.112
Base-Backbone interact. energy: -0.636
local terms energy: -107.378188
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -18.811
flat angles C4'-P-C4' energy: -23.892
flat angles P-C4'-P energy: -18.885
tors. eta vs tors. theta energy: -30.506
Dist. restrs. and SS energy: 1.211 (S_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: 58
Temperature: 0.950000
Total energy: -361.330260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.330260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.165231 (E_RNA)
where:
Base-Base interactions energy: -247.849
where: short stacking energy: -100.152
Base-Backbone interact. energy: -0.337
local terms energy: -113.979490
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -26.973
flat angles C4'-P-C4' energy: -24.276
flat angles P-C4'-P energy: -17.918
tors. eta vs tors. theta energy: -28.647
Dist. restrs. and SS energy: 0.835 (S_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: 58
Temperature: 1.000000
Total energy: -353.618647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.618647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.684781 (E_RNA)
where:
Base-Base interactions energy: -247.351
where: short stacking energy: -87.452
Base-Backbone interact. energy: -0.404
local terms energy: -105.929585
where:
bonds (distance) C4'-P energy: -22.473
bonds (distance) P-C4' energy: -21.438
flat angles C4'-P-C4' energy: -20.972
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -27.526
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: 4, replica: 2
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -343.605149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.605149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.045153 (E_RNA)
where:
Base-Base interactions energy: -232.640
where: short stacking energy: -80.989
Base-Backbone interact. energy: -1.391
local terms energy: -111.014225
where:
bonds (distance) C4'-P energy: -23.858
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -21.639
flat angles P-C4'-P energy: -19.185
tors. eta vs tors. theta energy: -28.160
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: 6
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -296.353059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.353059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.958449 (E_RNA)
where:
Base-Base interactions energy: -199.038
where: short stacking energy: -76.605
Base-Backbone interact. energy: -0.826
local terms energy: -98.094122
where:
bonds (distance) C4'-P energy: -19.864
bonds (distance) P-C4' energy: -22.604
flat angles C4'-P-C4' energy: -21.620
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -23.578
Dist. restrs. and SS energy: 1.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -283.631035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.631035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.473470 (E_RNA)
where:
Base-Base interactions energy: -189.648
where: short stacking energy: -81.012
Base-Backbone interact. energy: 1.530
local terms energy: -99.355480
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -23.862
flat angles C4'-P-C4' energy: -25.443
flat angles P-C4'-P energy: -17.902
tors. eta vs tors. theta energy: -19.388
Dist. restrs. and SS energy: 3.842 (S_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: -264.729466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.729466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.929316 (E_RNA)
where:
Base-Base interactions energy: -180.115
where: short stacking energy: -73.595
Base-Backbone interact. energy: 0.858
local terms energy: -87.672505
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -24.334
flat angles C4'-P-C4' energy: -20.034
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -12.898
Dist. restrs. and SS energy: 2.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -266.710619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.710619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.333871 (E_RNA)
where:
Base-Base interactions energy: -177.549
where: short stacking energy: -77.640
Base-Backbone interact. energy: -0.644
local terms energy: -91.141067
where:
bonds (distance) C4'-P energy: -24.227
bonds (distance) P-C4' energy: -24.769
flat angles C4'-P-C4' energy: -10.934
flat angles P-C4'-P energy: -15.735
tors. eta vs tors. theta energy: -15.477
Dist. restrs. and SS energy: 2.623 (S_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: 58
Temperature: 1.300000
Total energy: -240.807640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.807640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.270276 (E_RNA)
where:
Base-Base interactions energy: -166.917
where: short stacking energy: -61.071
Base-Backbone interact. energy: -0.177
local terms energy: -75.175802
where:
bonds (distance) C4'-P energy: -8.387
bonds (distance) P-C4' energy: -21.558
flat angles C4'-P-C4' energy: -20.612
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -10.591
Dist. restrs. and SS energy: 1.463 (S_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: 58
Temperature: 1.350000
Total energy: -240.053279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.053279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.887074 (E_RNA)
where:
Base-Base interactions energy: -151.170
where: short stacking energy: -60.773
Base-Backbone interact. energy: -0.630
local terms energy: -90.087120
where:
bonds (distance) C4'-P energy: -24.255
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -20.535
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -18.377
Dist. restrs. and SS energy: 1.834 (S_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: 59
Temperature: 0.900000
Total energy: -371.494525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.494525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.531597 (E_RNA)
where:
Base-Base interactions energy: -260.235
where: short stacking energy: -100.428
Base-Backbone interact. energy: -1.580
local terms energy: -110.717176
where:
bonds (distance) C4'-P energy: -19.846
bonds (distance) P-C4' energy: -22.928
flat angles C4'-P-C4' energy: -23.246
flat angles P-C4'-P energy: -16.869
tors. eta vs tors. theta energy: -27.828
Dist. restrs. and SS energy: 1.037 (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: 59
Temperature: 0.950000
Total energy: -362.851100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.851100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.292302 (E_RNA)
where:
Base-Base interactions energy: -249.051
where: short stacking energy: -95.644
Base-Backbone interact. energy: -1.002
local terms energy: -113.239363
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -25.157
flat angles C4'-P-C4' energy: -22.666
flat angles P-C4'-P energy: -18.429
tors. eta vs tors. theta energy: -26.633
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: 3, replica: 10
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -344.062895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.062895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.575635 (E_RNA)
where:
Base-Base interactions energy: -237.715
where: short stacking energy: -92.804
Base-Backbone interact. energy: -0.685
local terms energy: -106.175512
where:
bonds (distance) C4'-P energy: -21.180
bonds (distance) P-C4' energy: -22.129
flat angles C4'-P-C4' energy: -20.929
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -27.963
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: 4, replica: 2
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -347.744743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.744743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.426408 (E_RNA)
where:
Base-Base interactions energy: -238.054
where: short stacking energy: -96.604
Base-Backbone interact. energy: -0.351
local terms energy: -110.021767
where:
bonds (distance) C4'-P energy: -20.451
bonds (distance) P-C4' energy: -25.155
flat angles C4'-P-C4' energy: -21.230
flat angles P-C4'-P energy: -15.107
tors. eta vs tors. theta energy: -28.079
Dist. restrs. and SS energy: 0.682 (S_DIST_RNA)
chem. 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: -298.015691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.015691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.739420 (E_RNA)
where:
Base-Base interactions energy: -199.575
where: short stacking energy: -77.155
Base-Backbone interact. energy: -0.401
local terms energy: -100.763113
where:
bonds (distance) C4'-P energy: -20.058
bonds (distance) P-C4' energy: -23.937
flat angles C4'-P-C4' energy: -25.447
flat angles P-C4'-P energy: -14.862
tors. eta vs tors. theta energy: -16.459
Dist. restrs. and SS energy: 2.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -264.306782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.306782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.950126 (E_RNA)
where:
Base-Base interactions energy: -175.755
where: short stacking energy: -90.318
Base-Backbone interact. energy: -0.189
local terms energy: -94.006367
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -24.101
flat angles C4'-P-C4' energy: -21.272
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -19.970
Dist. restrs. and SS energy: 5.643 (S_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: 59
Temperature: 1.200000
Total energy: -266.049429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.049429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.902569 (E_RNA)
where:
Base-Base interactions energy: -172.246
where: short stacking energy: -68.365
Base-Backbone interact. energy: -0.313
local terms energy: -94.342994
where:
bonds (distance) C4'-P energy: -21.642
bonds (distance) P-C4' energy: -21.741
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -14.368
tors. eta vs tors. theta energy: -20.488
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: 8, replica: 7
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -286.316031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.316031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.316232 (E_RNA)
where:
Base-Base interactions energy: -190.125
where: short stacking energy: -78.919
Base-Backbone interact. energy: -0.998
local terms energy: -98.192884
where:
bonds (distance) C4'-P energy: -22.796
bonds (distance) P-C4' energy: -19.357
flat angles C4'-P-C4' energy: -26.136
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: -16.010
Dist. restrs. and SS energy: 3.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -219.776549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.776549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.795047 (E_RNA)
where:
Base-Base interactions energy: -129.620
where: short stacking energy: -61.749
Base-Backbone interact. energy: -0.720
local terms energy: -91.455493
where:
bonds (distance) C4'-P energy: -23.170
bonds (distance) P-C4' energy: -23.836
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -17.809
tors. eta vs tors. theta energy: -9.783
Dist. restrs. and SS energy: 2.018 (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: 59
Temperature: 1.350000
Total energy: -214.841003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.841003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.194693 (E_RNA)
where:
Base-Base interactions energy: -134.069
where: short stacking energy: -57.504
Base-Backbone interact. energy: -1.330
local terms energy: -83.794972
where:
bonds (distance) C4'-P energy: -18.301
bonds (distance) P-C4' energy: -20.368
flat angles C4'-P-C4' energy: -19.067
flat angles P-C4'-P energy: -15.285
tors. eta vs tors. theta energy: -10.773
Dist. restrs. and SS energy: 4.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -363.055411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.055411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.477714 (E_RNA)
where:
Base-Base interactions energy: -247.515
where: short stacking energy: -92.871
Base-Backbone interact. energy: -0.600
local terms energy: -116.362639
where:
bonds (distance) C4'-P energy: -19.211
bonds (distance) P-C4' energy: -22.989
flat angles C4'-P-C4' energy: -27.756
flat angles P-C4'-P energy: -18.293
tors. eta vs tors. theta energy: -28.114
Dist. restrs. and SS energy: 1.422 (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: 9
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -362.233433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.233433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.786418 (E_RNA)
where:
Base-Base interactions energy: -252.047
where: short stacking energy: -102.081
Base-Backbone interact. energy: -1.356
local terms energy: -109.383338
where:
bonds (distance) C4'-P energy: -24.020
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -14.111
tors. eta vs tors. theta energy: -31.917
Dist. restrs. and SS energy: 0.553 (S_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: -348.289857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.289857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.366702 (E_RNA)
where:
Base-Base interactions energy: -232.187
where: short stacking energy: -89.535
Base-Backbone interact. energy: -0.826
local terms energy: -115.352870
where:
bonds (distance) C4'-P energy: -23.844
bonds (distance) P-C4' energy: -25.353
flat angles C4'-P-C4' energy: -24.480
flat angles P-C4'-P energy: -17.021
tors. eta vs tors. theta energy: -24.655
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: 2
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -346.217626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.217626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.334962 (E_RNA)
where:
Base-Base interactions energy: -245.251
where: short stacking energy: -93.253
Base-Backbone interact. energy: 1.932
local terms energy: -104.016668
where:
bonds (distance) C4'-P energy: -16.899
bonds (distance) P-C4' energy: -22.928
flat angles C4'-P-C4' energy: -20.237
flat angles P-C4'-P energy: -16.893
tors. eta vs tors. theta energy: -27.059
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: 5, replica: 6
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -300.410899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.410899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.143264 (E_RNA)
where:
Base-Base interactions energy: -205.203
where: short stacking energy: -79.363
Base-Backbone interact. energy: 0.135
local terms energy: -98.075163
where:
bonds (distance) C4'-P energy: -25.670
bonds (distance) P-C4' energy: -22.065
flat angles C4'-P-C4' energy: -20.578
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -17.541
Dist. restrs. and SS energy: 2.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -292.293442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.293442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.026434 (E_RNA)
where:
Base-Base interactions energy: -195.603
where: short stacking energy: -78.324
Base-Backbone interact. energy: -0.476
local terms energy: -98.947572
where:
bonds (distance) C4'-P energy: -23.472
bonds (distance) P-C4' energy: -23.397
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -20.093
Dist. restrs. and SS energy: 2.733 (S_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: 60
Temperature: 1.200000
Total energy: -291.456401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.456401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.809284 (E_RNA)
where:
Base-Base interactions energy: -198.195
where: short stacking energy: -83.355
Base-Backbone interact. energy: 0.153
local terms energy: -93.766949
where:
bonds (distance) C4'-P energy: -20.827
bonds (distance) P-C4' energy: -22.173
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -17.906
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: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -248.043909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.043909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.580174 (E_RNA)
where:
Base-Base interactions energy: -165.628
where: short stacking energy: -67.426
Base-Backbone interact. energy: -0.401
local terms energy: -84.551274
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -13.179
tors. eta vs tors. theta energy: -23.325
Dist. restrs. and SS energy: 2.536 (S_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: 60
Temperature: 1.300000
Total energy: -218.006883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.006883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.841256 (E_RNA)
where:
Base-Base interactions energy: -156.465
where: short stacking energy: -61.589
Base-Backbone interact. energy: 1.426
local terms energy: -71.801326
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -20.429
flat angles P-C4'-P energy: -5.340
tors. eta vs tors. theta energy: -11.648
Dist. restrs. and SS energy: 8.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -220.472215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.472215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.216444 (E_RNA)
where:
Base-Base interactions energy: -156.930
where: short stacking energy: -56.534
Base-Backbone interact. energy: -0.991
local terms energy: -63.295807
where:
bonds (distance) C4'-P energy: -9.848
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -15.681
tors. eta vs tors. theta energy: -7.238
Dist. restrs. and SS energy: 0.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -367.162684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.162684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.270946 (E_RNA)
where:
Base-Base interactions energy: -258.374
where: short stacking energy: -113.582
Base-Backbone interact. energy: -0.484
local terms energy: -109.413344
where:
bonds (distance) C4'-P energy: -23.515
bonds (distance) P-C4' energy: -21.541
flat angles C4'-P-C4' energy: -19.790
flat angles P-C4'-P energy: -15.633
tors. eta vs tors. theta energy: -28.935
Dist. restrs. and SS energy: 1.108 (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: 9
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -368.883570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.883570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.885886 (E_RNA)
where:
Base-Base interactions energy: -263.026
where: short stacking energy: -98.471
Base-Backbone interact. energy: -0.437
local terms energy: -106.422463
where:
bonds (distance) C4'-P energy: -21.104
bonds (distance) P-C4' energy: -19.562
flat angles C4'-P-C4' energy: -22.937
flat angles P-C4'-P energy: -15.351
tors. eta vs tors. theta energy: -27.469
Dist. restrs. and SS energy: 1.002 (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: 61
Temperature: 1.000000
Total energy: -349.236597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.236597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.240696 (E_RNA)
where:
Base-Base interactions energy: -245.487
where: short stacking energy: -92.076
Base-Backbone interact. energy: -0.994
local terms energy: -103.759089
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -24.602
flat angles C4'-P-C4' energy: -19.999
flat angles P-C4'-P energy: -14.542
tors. eta vs tors. theta energy: -26.579
Dist. restrs. and SS energy: 1.004 (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: 2
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -355.329975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.329975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.696046 (E_RNA)
where:
Base-Base interactions energy: -243.902
where: short stacking energy: -100.517
Base-Backbone interact. energy: -0.224
local terms energy: -112.570417
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -24.066
flat angles C4'-P-C4' energy: -27.989
flat angles P-C4'-P energy: -15.731
tors. eta vs tors. theta energy: -28.337
Dist. restrs. and SS energy: 1.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -294.572118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.572118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.255100 (E_RNA)
where:
Base-Base interactions energy: -199.617
where: short stacking energy: -88.973
Base-Backbone interact. energy: -0.554
local terms energy: -99.083713
where:
bonds (distance) C4'-P energy: -19.687
bonds (distance) P-C4' energy: -24.296
flat angles C4'-P-C4' energy: -21.850
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -22.279
Dist. restrs. and SS energy: 4.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -297.351875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.351875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.923464 (E_RNA)
where:
Base-Base interactions energy: -205.821
where: short stacking energy: -78.037
Base-Backbone interact. energy: -0.292
local terms energy: -91.810437
where:
bonds (distance) C4'-P energy: -22.956
bonds (distance) P-C4' energy: -21.875
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -17.761
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: 7, replica: 4
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -259.514925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.514925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.344102 (E_RNA)
where:
Base-Base interactions energy: -177.537
where: short stacking energy: -70.798
Base-Backbone interact. energy: -1.213
local terms energy: -83.594140
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -22.558
flat angles C4'-P-C4' energy: -19.323
flat angles P-C4'-P energy: -14.595
tors. eta vs tors. theta energy: -15.826
Dist. restrs. and SS energy: 2.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -243.996695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.996695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.525803 (E_RNA)
where:
Base-Base interactions energy: -165.739
where: short stacking energy: -75.767
Base-Backbone interact. energy: -0.143
local terms energy: -88.643678
where:
bonds (distance) C4'-P energy: -19.043
bonds (distance) P-C4' energy: -12.550
flat angles C4'-P-C4' energy: -20.580
flat angles P-C4'-P energy: -16.117
tors. eta vs tors. theta energy: -20.353
Dist. restrs. and SS energy: 10.529 (S_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: 61
Temperature: 1.300000
Total energy: -234.401949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.401949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.282789 (E_RNA)
where:
Base-Base interactions energy: -157.666
where: short stacking energy: -50.831
Base-Backbone interact. energy: -0.900
local terms energy: -76.716570
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -15.959
flat angles C4'-P-C4' energy: -17.804
flat angles P-C4'-P energy: -15.215
tors. eta vs tors. theta energy: -15.181
Dist. restrs. and SS energy: 0.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -234.636148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.636148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.064160 (E_RNA)
where:
Base-Base interactions energy: -163.948
where: short stacking energy: -67.935
Base-Backbone interact. energy: 3.628
local terms energy: -75.744295
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -19.238
flat angles C4'-P-C4' energy: -25.034
flat angles P-C4'-P energy: -5.327
tors. eta vs tors. theta energy: -11.616
Dist. restrs. and SS energy: 1.428 (S_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: 62
Temperature: 0.900000
Total energy: -371.340805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.340805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.932576 (E_RNA)
where:
Base-Base interactions energy: -253.311
where: short stacking energy: -102.756
Base-Backbone interact. energy: 0.495
local terms energy: -120.116986
where:
bonds (distance) C4'-P energy: -23.307
bonds (distance) P-C4' energy: -21.022
flat angles C4'-P-C4' energy: -21.958
flat angles P-C4'-P energy: -20.243
tors. eta vs tors. theta energy: -33.587
Dist. restrs. and SS energy: 1.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -362.501462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.501462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.947448 (E_RNA)
where:
Base-Base interactions energy: -245.483
where: short stacking energy: -87.830
Base-Backbone interact. energy: -0.895
local terms energy: -117.569760
where:
bonds (distance) C4'-P energy: -24.988
bonds (distance) P-C4' energy: -22.425
flat angles C4'-P-C4' energy: -26.352
flat angles P-C4'-P energy: -15.404
tors. eta vs tors. theta energy: -28.400
Dist. restrs. and SS energy: 1.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -361.885695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.885695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.576711 (E_RNA)
where:
Base-Base interactions energy: -252.178
where: short stacking energy: -100.343
Base-Backbone interact. energy: -1.567
local terms energy: -108.831798
where:
bonds (distance) C4'-P energy: -24.391
bonds (distance) P-C4' energy: -24.839
flat angles C4'-P-C4' energy: -23.758
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -26.432
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: 4, replica: 10
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -334.723854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.723854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.818347 (E_RNA)
where:
Base-Base interactions energy: -223.509
where: short stacking energy: -93.487
Base-Backbone interact. energy: 3.173
local terms energy: -114.482239
where:
bonds (distance) C4'-P energy: -22.347
bonds (distance) P-C4' energy: -22.053
flat angles C4'-P-C4' energy: -23.412
flat angles P-C4'-P energy: -18.182
tors. eta vs tors. theta energy: -28.488
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: 62
Temperature: 1.100000
Total energy: -309.088715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.088715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.662548 (E_RNA)
where:
Base-Base interactions energy: -207.888
where: short stacking energy: -85.452
Base-Backbone interact. energy: -1.488
local terms energy: -101.287086
where:
bonds (distance) C4'-P energy: -25.133
bonds (distance) P-C4' energy: -22.445
flat angles C4'-P-C4' energy: -19.632
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -21.529
Dist. restrs. and SS energy: 1.574 (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: 62
Temperature: 1.150000
Total energy: -289.955749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.955749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.020766 (E_RNA)
where:
Base-Base interactions energy: -186.102
where: short stacking energy: -71.341
Base-Backbone interact. energy: -1.337
local terms energy: -102.581783
where:
bonds (distance) C4'-P energy: -22.389
bonds (distance) P-C4' energy: -25.372
flat angles C4'-P-C4' energy: -20.233
flat angles P-C4'-P energy: -20.351
tors. eta vs tors. theta energy: -14.236
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: 8
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -266.958532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.958532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.219803 (E_RNA)
where:
Base-Base interactions energy: -172.234
where: short stacking energy: -69.056
Base-Backbone interact. energy: -0.220
local terms energy: -95.766380
where:
bonds (distance) C4'-P energy: -22.474
bonds (distance) P-C4' energy: -25.517
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -21.476
Dist. restrs. and SS energy: 1.261 (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: 4
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -265.368990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.368990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.635472 (E_RNA)
where:
Base-Base interactions energy: -183.916
where: short stacking energy: -67.056
Base-Backbone interact. energy: -1.505
local terms energy: -81.213771
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -23.590
flat angles C4'-P-C4' energy: -19.674
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -10.852
Dist. restrs. and SS energy: 1.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -252.723125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.723125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.589549 (E_RNA)
where:
Base-Base interactions energy: -169.160
where: short stacking energy: -75.236
Base-Backbone interact. energy: -1.388
local terms energy: -88.041608
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -16.923
flat angles C4'-P-C4' energy: -21.482
flat angles P-C4'-P energy: -16.979
tors. eta vs tors. theta energy: -17.644
Dist. restrs. and SS energy: 5.866 (S_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: 62
Temperature: 1.350000
Total energy: -223.580313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.580313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.393109 (E_RNA)
where:
Base-Base interactions energy: -147.641
where: short stacking energy: -61.292
Base-Backbone interact. energy: 0.037
local terms energy: -78.789686
where:
bonds (distance) C4'-P energy: -21.663
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -20.345
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -11.877
Dist. restrs. and SS energy: 2.813 (S_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: 63
Temperature: 0.900000
Total energy: -368.181324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.181324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.924080 (E_RNA)
where:
Base-Base interactions energy: -253.310
where: short stacking energy: -103.268
Base-Backbone interact. energy: -1.064
local terms energy: -115.550173
where:
bonds (distance) C4'-P energy: -23.771
bonds (distance) P-C4' energy: -22.065
flat angles C4'-P-C4' energy: -25.905
flat angles P-C4'-P energy: -15.257
tors. eta vs tors. theta energy: -28.552
Dist. restrs. and SS energy: 1.743 (S_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: 63
Temperature: 0.950000
Total energy: -365.770819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.770819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.404105 (E_RNA)
where:
Base-Base interactions energy: -259.103
where: short stacking energy: -101.895
Base-Backbone interact. energy: -0.719
local terms energy: -106.581510
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -22.567
flat angles C4'-P-C4' energy: -24.839
flat angles P-C4'-P energy: -13.396
tors. eta vs tors. theta energy: -26.958
Dist. restrs. and SS energy: 0.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -354.919535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.919535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.284950 (E_RNA)
where:
Base-Base interactions energy: -258.414
where: short stacking energy: -107.299
Base-Backbone interact. energy: -0.937
local terms energy: -96.933860
where:
bonds (distance) C4'-P energy: -20.346
bonds (distance) P-C4' energy: -19.399
flat angles C4'-P-C4' energy: -18.009
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -26.924
Dist. restrs. and SS energy: 1.365 (S_DIST_RNA)
chem. 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: -334.564753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.564753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.897483 (E_RNA)
where:
Base-Base interactions energy: -227.331
where: short stacking energy: -92.791
Base-Backbone interact. energy: -1.196
local terms energy: -106.370901
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -26.114
flat angles C4'-P-C4' energy: -24.095
flat angles P-C4'-P energy: -14.829
tors. eta vs tors. theta energy: -23.819
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: 7
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -311.594255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.594255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.494403 (E_RNA)
where:
Base-Base interactions energy: -214.535
where: short stacking energy: -88.161
Base-Backbone interact. energy: -0.529
local terms energy: -97.430902
where:
bonds (distance) C4'-P energy: -16.684
bonds (distance) P-C4' energy: -22.205
flat angles C4'-P-C4' energy: -23.761
flat angles P-C4'-P energy: -16.496
tors. eta vs tors. theta energy: -18.285
Dist. restrs. and SS energy: 0.900 (S_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: 63
Temperature: 1.150000
Total energy: -289.266456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.266456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.897802 (E_RNA)
where:
Base-Base interactions energy: -193.694
where: short stacking energy: -75.030
Base-Backbone interact. energy: -1.071
local terms energy: -95.132748
where:
bonds (distance) C4'-P energy: -22.861
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -20.324
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -20.069
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: 7, replica: 6
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -277.741185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.741185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.270181 (E_RNA)
where:
Base-Base interactions energy: -188.927
where: short stacking energy: -76.421
Base-Backbone interact. energy: 0.940
local terms energy: -90.283670
where:
bonds (distance) C4'-P energy: -21.502
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -17.209
tors. eta vs tors. theta energy: -18.207
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: 8, replica: 5
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -258.217068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.217068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.074193 (E_RNA)
where:
Base-Base interactions energy: -176.092
where: short stacking energy: -78.804
Base-Backbone interact. energy: 0.675
local terms energy: -85.656487
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -20.437
flat angles C4'-P-C4' energy: -17.055
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -21.210
Dist. restrs. and SS energy: 2.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -247.678288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.678288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.324614 (E_RNA)
where:
Base-Base interactions energy: -155.403
where: short stacking energy: -60.929
Base-Backbone interact. energy: -0.111
local terms energy: -92.810247
where:
bonds (distance) C4'-P energy: -17.628
bonds (distance) P-C4' energy: -17.835
flat angles C4'-P-C4' energy: -25.533
flat angles P-C4'-P energy: -14.196
tors. eta vs tors. theta energy: -17.619
Dist. restrs. and SS energy: 0.646 (S_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: 63
Temperature: 1.350000
Total energy: -216.020437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.020437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.573073 (E_RNA)
where:
Base-Base interactions energy: -133.625
where: short stacking energy: -60.575
Base-Backbone interact. energy: -0.445
local terms energy: -86.502468
where:
bonds (distance) C4'-P energy: -18.411
bonds (distance) P-C4' energy: -22.830
flat angles C4'-P-C4' energy: -19.037
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: -13.003
Dist. restrs. and SS energy: 4.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -369.018144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.018144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.988537 (E_RNA)
where:
Base-Base interactions energy: -260.495
where: short stacking energy: -102.152
Base-Backbone interact. energy: -0.806
local terms energy: -108.687485
where:
bonds (distance) C4'-P energy: -21.934
bonds (distance) P-C4' energy: -20.795
flat angles C4'-P-C4' energy: -24.508
flat angles P-C4'-P energy: -14.481
tors. eta vs tors. theta energy: -26.970
Dist. restrs. and SS energy: 0.970 (S_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: 64
Temperature: 0.950000
Total energy: -370.849855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.849855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.022993 (E_RNA)
where:
Base-Base interactions energy: -248.449
where: short stacking energy: -98.248
Base-Backbone interact. energy: -0.852
local terms energy: -122.722512
where:
bonds (distance) C4'-P energy: -23.513
bonds (distance) P-C4' energy: -26.584
flat angles C4'-P-C4' energy: -25.642
flat angles P-C4'-P energy: -16.494
tors. eta vs tors. theta energy: -30.489
Dist. restrs. and SS energy: 1.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -344.935351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.935351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.122085 (E_RNA)
where:
Base-Base interactions energy: -242.895
where: short stacking energy: -91.962
Base-Backbone interact. energy: -0.909
local terms energy: -102.318304
where:
bonds (distance) C4'-P energy: -16.663
bonds (distance) P-C4' energy: -17.385
flat angles C4'-P-C4' energy: -21.887
flat angles P-C4'-P energy: -19.385
tors. eta vs tors. theta energy: -26.998
Dist. restrs. and SS energy: 1.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -334.936641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.936641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.082906 (E_RNA)
where:
Base-Base interactions energy: -232.098
where: short stacking energy: -92.159
Base-Backbone interact. energy: -0.166
local terms energy: -103.819026
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -22.919
flat angles C4'-P-C4' energy: -25.264
flat angles P-C4'-P energy: -14.459
tors. eta vs tors. theta energy: -26.761
Dist. restrs. and SS energy: 1.146 (S_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: 64
Temperature: 1.100000
Total energy: -301.830347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.830347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.068154 (E_RNA)
where:
Base-Base interactions energy: -197.051
where: short stacking energy: -93.885
Base-Backbone interact. energy: -0.275
local terms energy: -105.742175
where:
bonds (distance) C4'-P energy: -21.845
bonds (distance) P-C4' energy: -17.159
flat angles C4'-P-C4' energy: -23.519
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: -29.092
Dist. restrs. and SS energy: 1.238 (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: 7
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -293.490015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.490015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.040574 (E_RNA)
where:
Base-Base interactions energy: -206.293
where: short stacking energy: -88.606
Base-Backbone interact. energy: -1.008
local terms energy: -93.739599
where:
bonds (distance) C4'-P energy: -19.924
bonds (distance) P-C4' energy: -21.647
flat angles C4'-P-C4' energy: -19.123
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -23.344
Dist. restrs. and SS energy: 7.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -252.891533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.891533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.020971 (E_RNA)
where:
Base-Base interactions energy: -170.872
where: short stacking energy: -68.171
Base-Backbone interact. energy: 1.705
local terms energy: -84.853954
where:
bonds (distance) C4'-P energy: -18.530
bonds (distance) P-C4' energy: -20.703
flat angles C4'-P-C4' energy: -20.468
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -10.878
Dist. restrs. and SS energy: 1.129 (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: 5
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -254.920469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.920469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.352669 (E_RNA)
where:
Base-Base interactions energy: -166.390
where: short stacking energy: -69.181
Base-Backbone interact. energy: 1.432
local terms energy: -90.394072
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -25.342
flat angles C4'-P-C4' energy: -21.162
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -15.685
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: 9, replica: 1
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -226.050019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.050019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.824945 (E_RNA)
where:
Base-Base interactions energy: -151.678
where: short stacking energy: -58.241
Base-Backbone interact. energy: -0.672
local terms energy: -74.474936
where:
bonds (distance) C4'-P energy: -21.772
bonds (distance) P-C4' energy: -20.629
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -7.391
Dist. restrs. and SS energy: 0.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -239.874583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.874583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.584239 (E_RNA)
where:
Base-Base interactions energy: -156.264
where: short stacking energy: -69.565
Base-Backbone interact. energy: -0.694
local terms energy: -87.626118
where:
bonds (distance) C4'-P energy: -20.754
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -13.576
tors. eta vs tors. theta energy: -20.619
Dist. restrs. and SS energy: 4.710 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -361.849792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.849792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.108668 (E_RNA)
where:
Base-Base interactions energy: -262.195
where: short stacking energy: -101.554
Base-Backbone interact. energy: 0.338
local terms energy: -101.252178
where:
bonds (distance) C4'-P energy: -20.624
bonds (distance) P-C4' energy: -23.672
flat angles C4'-P-C4' energy: -17.276
flat angles P-C4'-P energy: -14.344
tors. eta vs tors. theta energy: -25.337
Dist. restrs. and SS energy: 1.259 (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: 3
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -363.010985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.010985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.764791 (E_RNA)
where:
Base-Base interactions energy: -247.575
where: short stacking energy: -96.630
Base-Backbone interact. energy: -0.622
local terms energy: -115.568439
where:
bonds (distance) C4'-P energy: -23.443
bonds (distance) P-C4' energy: -18.621
flat angles C4'-P-C4' energy: -24.932
flat angles P-C4'-P energy: -17.176
tors. eta vs tors. theta energy: -31.397
Dist. restrs. and SS energy: 0.754 (S_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: 65
Temperature: 1.000000
Total energy: -350.904178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.904178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.787084 (E_RNA)
where:
Base-Base interactions energy: -245.657
where: short stacking energy: -97.061
Base-Backbone interact. energy: -0.787
local terms energy: -105.342157
where:
bonds (distance) C4'-P energy: -17.905
bonds (distance) P-C4' energy: -25.260
flat angles C4'-P-C4' energy: -18.619
flat angles P-C4'-P energy: -17.288
tors. eta vs tors. theta energy: -26.271
Dist. restrs. and SS energy: 0.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -336.441174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.441174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.856235 (E_RNA)
where:
Base-Base interactions energy: -234.332
where: short stacking energy: -94.463
Base-Backbone interact. energy: -2.255
local terms energy: -101.269320
where:
bonds (distance) C4'-P energy: -18.204
bonds (distance) P-C4' energy: -22.391
flat angles C4'-P-C4' energy: -19.134
flat angles P-C4'-P energy: -16.401
tors. eta vs tors. theta energy: -25.138
Dist. restrs. and SS energy: 1.415 (S_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: 65
Temperature: 1.100000
Total energy: -320.117789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.117789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.694843 (E_RNA)
where:
Base-Base interactions energy: -215.000
where: short stacking energy: -91.713
Base-Backbone interact. energy: 0.178
local terms energy: -107.873004
where:
bonds (distance) C4'-P energy: -25.108
bonds (distance) P-C4' energy: -23.614
flat angles C4'-P-C4' energy: -19.972
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: -22.520
Dist. restrs. and SS energy: 2.577 (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: 6
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -237.164959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.164959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.151088 (E_RNA)
where:
Base-Base interactions energy: -157.196
where: short stacking energy: -69.233
Base-Backbone interact. energy: -0.238
local terms energy: -81.716427
where:
bonds (distance) C4'-P energy: -21.485
bonds (distance) P-C4' energy: -19.634
flat angles C4'-P-C4' energy: -20.935
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -12.284
Dist. restrs. and SS energy: 1.986 (S_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: -302.604119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.604119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.741058 (E_RNA)
where:
Base-Base interactions energy: -206.339
where: short stacking energy: -88.234
Base-Backbone interact. energy: -1.078
local terms energy: -96.324611
where:
bonds (distance) C4'-P energy: -22.639
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -20.529
flat angles P-C4'-P energy: -13.952
tors. eta vs tors. theta energy: -23.796
Dist. restrs. and SS energy: 1.137 (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: 5
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -252.271785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.271785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.165643 (E_RNA)
where:
Base-Base interactions energy: -164.043
where: short stacking energy: -61.790
Base-Backbone interact. energy: -1.187
local terms energy: -87.935521
where:
bonds (distance) C4'-P energy: -21.095
bonds (distance) P-C4' energy: -24.260
flat angles C4'-P-C4' energy: -18.583
flat angles P-C4'-P energy: -13.899
tors. eta vs tors. theta energy: -10.098
Dist. restrs. and SS energy: 0.894 (S_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: 65
Temperature: 1.300000
Total energy: -222.984020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.984020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.997819 (E_RNA)
where:
Base-Base interactions energy: -142.331
where: short stacking energy: -55.036
Base-Backbone interact. energy: -0.382
local terms energy: -80.284061
where:
bonds (distance) C4'-P energy: -21.360
bonds (distance) P-C4' energy: -18.871
flat angles C4'-P-C4' energy: -20.489
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -8.705
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: 4
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -257.178890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.178890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.583497 (E_RNA)
where:
Base-Base interactions energy: -179.137
where: short stacking energy: -69.151
Base-Backbone interact. energy: -0.561
local terms energy: -77.884840
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -21.043
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -11.886
Dist. restrs. and SS energy: 0.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -369.877593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.877593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.410892 (E_RNA)
where:
Base-Base interactions energy: -251.425
where: short stacking energy: -103.510
Base-Backbone interact. energy: -1.115
local terms energy: -118.870492
where:
bonds (distance) C4'-P energy: -23.862
bonds (distance) P-C4' energy: -27.774
flat angles C4'-P-C4' energy: -20.782
flat angles P-C4'-P energy: -15.923
tors. eta vs tors. theta energy: -30.529
Dist. restrs. and SS energy: 1.533 (S_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: 66
Temperature: 0.950000
Total energy: -352.134801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.134801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.560495 (E_RNA)
where:
Base-Base interactions energy: -245.445
where: short stacking energy: -92.443
Base-Backbone interact. energy: -0.555
local terms energy: -107.560028
where:
bonds (distance) C4'-P energy: -27.666
bonds (distance) P-C4' energy: -23.971
flat angles C4'-P-C4' energy: -24.956
flat angles P-C4'-P energy: -6.821
tors. eta vs tors. theta energy: -24.145
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: 3, replica: 9
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -347.917162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.917162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.942557 (E_RNA)
where:
Base-Base interactions energy: -244.725
where: short stacking energy: -99.357
Base-Backbone interact. energy: -0.339
local terms energy: -103.878279
where:
bonds (distance) C4'-P energy: -16.982
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -24.078
flat angles P-C4'-P energy: -13.273
tors. eta vs tors. theta energy: -30.027
Dist. restrs. and SS energy: 1.025 (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: 10
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -337.516335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.516335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.553575 (E_RNA)
where:
Base-Base interactions energy: -230.772
where: short stacking energy: -86.784
Base-Backbone interact. energy: 0.542
local terms energy: -108.323871
where:
bonds (distance) C4'-P energy: -22.944
bonds (distance) P-C4' energy: -26.022
flat angles C4'-P-C4' energy: -21.719
flat angles P-C4'-P energy: -14.503
tors. eta vs tors. theta energy: -23.137
Dist. restrs. and SS energy: 1.037 (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: 8
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -300.552602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.552602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.447792 (E_RNA)
where:
Base-Base interactions energy: -213.454
where: short stacking energy: -90.755
Base-Backbone interact. energy: -0.648
local terms energy: -88.346208
where:
bonds (distance) C4'-P energy: -26.263
bonds (distance) P-C4' energy: -20.971
flat angles C4'-P-C4' energy: -7.929
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -21.773
Dist. restrs. and SS energy: 1.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -259.974859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.974859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.966161 (E_RNA)
where:
Base-Base interactions energy: -167.713
where: short stacking energy: -58.006
Base-Backbone interact. energy: -0.634
local terms energy: -92.619071
where:
bonds (distance) C4'-P energy: -24.325
bonds (distance) P-C4' energy: -21.765
flat angles C4'-P-C4' energy: -20.053
flat angles P-C4'-P energy: -15.899
tors. eta vs tors. theta energy: -10.578
Dist. restrs. and SS energy: 0.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -282.735602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.735602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.854702 (E_RNA)
where:
Base-Base interactions energy: -195.547
where: short stacking energy: -77.738
Base-Backbone interact. energy: -1.349
local terms energy: -86.958932
where:
bonds (distance) C4'-P energy: -20.584
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -18.944
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -16.891
Dist. restrs. and SS energy: 1.119 (S_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: -270.271304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.271304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.749557 (E_RNA)
where:
Base-Base interactions energy: -191.192
where: short stacking energy: -73.385
Base-Backbone interact. energy: 0.230
local terms energy: -79.787703
where:
bonds (distance) C4'-P energy: -20.095
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -18.483
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -14.313
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: 9, replica: 4
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -269.851390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.851390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.056803 (E_RNA)
where:
Base-Base interactions energy: -185.785
where: short stacking energy: -68.451
Base-Backbone interact. energy: -1.907
local terms energy: -82.365064
where:
bonds (distance) C4'-P energy: -23.543
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -18.710
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -13.971
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: 1
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -216.778602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.778602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.538051 (E_RNA)
where:
Base-Base interactions energy: -146.368
where: short stacking energy: -57.697
Base-Backbone interact. energy: -0.406
local terms energy: -73.763767
where:
bonds (distance) C4'-P energy: -19.990
bonds (distance) P-C4' energy: -20.866
flat angles C4'-P-C4' energy: -21.238
flat angles P-C4'-P energy: -4.928
tors. eta vs tors. theta energy: -6.742
Dist. restrs. and SS energy: 3.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -376.145479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.145479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.329248 (E_RNA)
where:
Base-Base interactions energy: -254.369
where: short stacking energy: -100.954
Base-Backbone interact. energy: -0.914
local terms energy: -122.045947
where:
bonds (distance) C4'-P energy: -22.715
bonds (distance) P-C4' energy: -23.341
flat angles C4'-P-C4' energy: -24.416
flat angles P-C4'-P energy: -19.094
tors. eta vs tors. theta energy: -32.481
Dist. restrs. and SS energy: 1.184 (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: 2
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -360.428134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.428134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.110221 (E_RNA)
where:
Base-Base interactions energy: -259.728
where: short stacking energy: -91.404
Base-Backbone interact. energy: -0.650
local terms energy: -101.732674
where:
bonds (distance) C4'-P energy: -21.885
bonds (distance) P-C4' energy: -22.645
flat angles C4'-P-C4' energy: -22.045
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -22.585
Dist. restrs. and SS energy: 1.682 (S_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: 67
Temperature: 1.000000
Total energy: -351.672421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.672421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.385546 (E_RNA)
where:
Base-Base interactions energy: -243.800
where: short stacking energy: -99.717
Base-Backbone interact. energy: -0.787
local terms energy: -107.798191
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -25.089
flat angles C4'-P-C4' energy: -21.150
flat angles P-C4'-P energy: -16.895
tors. eta vs tors. theta energy: -29.395
Dist. restrs. and SS energy: 0.713 (S_DIST_RNA)
chem. 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: -339.925079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.925079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.157852 (E_RNA)
where:
Base-Base interactions energy: -238.476
where: short stacking energy: -89.976
Base-Backbone interact. energy: -0.765
local terms energy: -100.916615
where:
bonds (distance) C4'-P energy: -20.850
bonds (distance) P-C4' energy: -23.148
flat angles C4'-P-C4' energy: -23.832
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -21.535
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: 8
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -299.795501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.795501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.066546 (E_RNA)
where:
Base-Base interactions energy: -196.417
where: short stacking energy: -83.538
Base-Backbone interact. energy: -0.259
local terms energy: -108.390104
where:
bonds (distance) C4'-P energy: -21.184
bonds (distance) P-C4' energy: -23.930
flat angles C4'-P-C4' energy: -22.821
flat angles P-C4'-P energy: -16.232
tors. eta vs tors. theta energy: -24.223
Dist. restrs. and SS energy: 5.271 (S_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: 67
Temperature: 1.150000
Total energy: -262.496875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.496875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.684409 (E_RNA)
where:
Base-Base interactions energy: -188.642
where: short stacking energy: -72.666
Base-Backbone interact. energy: -0.233
local terms energy: -75.809514
where:
bonds (distance) C4'-P energy: -20.806
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -19.822
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -10.511
Dist. restrs. and SS energy: 2.188 (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: 67
Temperature: 1.200000
Total energy: -263.498607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.498607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.961919 (E_RNA)
where:
Base-Base interactions energy: -180.550
where: short stacking energy: -63.031
Base-Backbone interact. energy: -0.513
local terms energy: -83.898548
where:
bonds (distance) C4'-P energy: -25.974
bonds (distance) P-C4' energy: -20.589
flat angles C4'-P-C4' energy: -23.674
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -4.680
Dist. restrs. and SS energy: 1.463 (S_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: 67
Temperature: 1.250000
Total energy: -305.078007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.078007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.453786 (E_RNA)
where:
Base-Base interactions energy: -204.021
where: short stacking energy: -95.993
Base-Backbone interact. energy: -0.065
local terms energy: -102.367487
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -22.212
flat angles C4'-P-C4' energy: -20.921
flat angles P-C4'-P energy: -16.564
tors. eta vs tors. theta energy: -27.519
Dist. restrs. and SS energy: 1.376 (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: 7
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -260.630310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.630310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.534918 (E_RNA)
where:
Base-Base interactions energy: -170.986
where: short stacking energy: -80.220
Base-Backbone interact. energy: -0.567
local terms energy: -92.981458
where:
bonds (distance) C4'-P energy: -22.298
bonds (distance) P-C4' energy: -20.830
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -21.283
Dist. restrs. and SS energy: 3.905 (S_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: 67
Temperature: 1.350000
Total energy: -201.275695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.275695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.428440 (E_RNA)
where:
Base-Base interactions energy: -137.320
where: short stacking energy: -55.246
Base-Backbone interact. energy: 1.780
local terms energy: -67.888747
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -19.510
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -6.478
Dist. restrs. and SS energy: 2.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -372.647872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.647872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.378800 (E_RNA)
where:
Base-Base interactions energy: -258.519
where: short stacking energy: -100.591
Base-Backbone interact. energy: -0.063
local terms energy: -115.797488
where:
bonds (distance) C4'-P energy: -22.855
bonds (distance) P-C4' energy: -25.111
flat angles C4'-P-C4' energy: -22.125
flat angles P-C4'-P energy: -19.748
tors. eta vs tors. theta energy: -25.959
Dist. restrs. and SS energy: 1.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -360.987025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.987025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.233930 (E_RNA)
where:
Base-Base interactions energy: -255.978
where: short stacking energy: -96.503
Base-Backbone interact. energy: -0.888
local terms energy: -105.368234
where:
bonds (distance) C4'-P energy: -20.073
bonds (distance) P-C4' energy: -21.855
flat angles C4'-P-C4' energy: -17.675
flat angles P-C4'-P energy: -17.173
tors. eta vs tors. theta energy: -28.592
Dist. restrs. and SS energy: 1.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -352.201083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.201083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.971490 (E_RNA)
where:
Base-Base interactions energy: -240.813
where: short stacking energy: -97.070
Base-Backbone interact. energy: -0.741
local terms energy: -111.417189
where:
bonds (distance) C4'-P energy: -22.052
bonds (distance) P-C4' energy: -22.136
flat angles C4'-P-C4' energy: -22.295
flat angles P-C4'-P energy: -15.586
tors. eta vs tors. theta energy: -29.348
Dist. restrs. and SS energy: 0.770 (S_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: 68
Temperature: 1.050000
Total energy: -347.061698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.061698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.717950 (E_RNA)
where:
Base-Base interactions energy: -240.921
where: short stacking energy: -93.518
Base-Backbone interact. energy: -0.446
local terms energy: -106.351606
where:
bonds (distance) C4'-P energy: -19.277
bonds (distance) P-C4' energy: -24.143
flat angles C4'-P-C4' energy: -22.254
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -29.400
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: 5, replica: 8
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -333.503645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.503645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.492408 (E_RNA)
where:
Base-Base interactions energy: -229.949
where: short stacking energy: -90.906
Base-Backbone interact. energy: -0.523
local terms energy: -104.020546
where:
bonds (distance) C4'-P energy: -20.230
bonds (distance) P-C4' energy: -24.063
flat angles C4'-P-C4' energy: -21.793
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -27.201
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: 6, replica: 5
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -261.648655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.648655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.367838 (E_RNA)
where:
Base-Base interactions energy: -184.768
where: short stacking energy: -73.026
Base-Backbone interact. energy: -0.640
local terms energy: -83.960329
where:
bonds (distance) C4'-P energy: -11.632
bonds (distance) P-C4' energy: -24.616
flat angles C4'-P-C4' energy: -22.793
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -13.552
Dist. restrs. and SS energy: 7.719 (S_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: 68
Temperature: 1.200000
Total energy: -323.020079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.020079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.736807 (E_RNA)
where:
Base-Base interactions energy: -223.901
where: short stacking energy: -87.733
Base-Backbone interact. energy: -0.667
local terms energy: -99.169260
where:
bonds (distance) C4'-P energy: -17.686
bonds (distance) P-C4' energy: -21.032
flat angles C4'-P-C4' energy: -18.794
flat angles P-C4'-P energy: -16.829
tors. eta vs tors. theta energy: -24.827
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: 8, replica: 6
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -248.792189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.792189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.908321 (E_RNA)
where:
Base-Base interactions energy: -165.715
where: short stacking energy: -72.114
Base-Backbone interact. energy: -0.821
local terms energy: -82.372665
where:
bonds (distance) C4'-P energy: -20.861
bonds (distance) P-C4' energy: -23.803
flat angles C4'-P-C4' energy: -22.771
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -7.062
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: 9, replica: 7
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -273.511062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.511062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.345718 (E_RNA)
where:
Base-Base interactions energy: -188.893
where: short stacking energy: -83.637
Base-Backbone interact. energy: -0.351
local terms energy: -88.101701
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -25.916
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -18.205
Dist. restrs. and SS energy: 3.835 (S_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: 68
Temperature: 1.350000
Total energy: -207.118910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.118910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.953721 (E_RNA)
where:
Base-Base interactions energy: -130.068
where: short stacking energy: -45.090
Base-Backbone interact. energy: -0.314
local terms energy: -78.572204
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -23.363
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -14.362
tors. eta vs tors. theta energy: -8.730
Dist. restrs. and SS energy: 1.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -374.215981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.215981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.460072 (E_RNA)
where:
Base-Base interactions energy: -260.828
where: short stacking energy: -103.580
Base-Backbone interact. energy: -1.002
local terms energy: -112.630034
where:
bonds (distance) C4'-P energy: -25.580
bonds (distance) P-C4' energy: -24.696
flat angles C4'-P-C4' energy: -24.463
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -25.760
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: 3
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -361.970867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.970867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.892951 (E_RNA)
where:
Base-Base interactions energy: -248.851
where: short stacking energy: -103.212
Base-Backbone interact. energy: -1.391
local terms energy: -113.650643
where:
bonds (distance) C4'-P energy: -19.969
bonds (distance) P-C4' energy: -25.333
flat angles C4'-P-C4' energy: -24.558
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -29.476
Dist. restrs. and SS energy: 1.922 (S_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: 69
Temperature: 1.000000
Total energy: -349.394169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.394169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.063034 (E_RNA)
where:
Base-Base interactions energy: -245.197
where: short stacking energy: -87.576
Base-Backbone interact. energy: 0.107
local terms energy: -105.972581
where:
bonds (distance) C4'-P energy: -18.574
bonds (distance) P-C4' energy: -26.372
flat angles C4'-P-C4' energy: -20.241
flat angles P-C4'-P energy: -16.546
tors. eta vs tors. theta energy: -24.239
Dist. restrs. and SS energy: 1.669 (S_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: -348.532049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.532049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.248919 (E_RNA)
where:
Base-Base interactions energy: -243.412
where: short stacking energy: -100.472
Base-Backbone interact. energy: -0.902
local terms energy: -105.935223
where:
bonds (distance) C4'-P energy: -21.412
bonds (distance) P-C4' energy: -21.938
flat angles C4'-P-C4' energy: -24.349
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -28.571
Dist. restrs. and SS energy: 1.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -309.429646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.429646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.439380 (E_RNA)
where:
Base-Base interactions energy: -207.281
where: short stacking energy: -85.284
Base-Backbone interact. energy: -0.582
local terms energy: -103.575948
where:
bonds (distance) C4'-P energy: -24.099
bonds (distance) P-C4' energy: -24.058
flat angles C4'-P-C4' energy: -20.834
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -23.679
Dist. restrs. and SS energy: 2.010 (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: 4
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -334.152068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.152068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.980647 (E_RNA)
where:
Base-Base interactions energy: -236.833
where: short stacking energy: -95.140
Base-Backbone interact. energy: -2.044
local terms energy: -97.103812
where:
bonds (distance) C4'-P energy: -18.706
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -23.956
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -28.734
Dist. restrs. and SS energy: 1.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -216.229311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.229311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.163157 (E_RNA)
where:
Base-Base interactions energy: -144.801
where: short stacking energy: -55.924
Base-Backbone interact. energy: -0.306
local terms energy: -80.055820
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -22.921
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -9.329
Dist. restrs. and SS energy: 8.934 (S_DIST_RNA)
chem. 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: -281.726991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.726991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.785742 (E_RNA)
where:
Base-Base interactions energy: -199.670
where: short stacking energy: -83.654
Base-Backbone interact. energy: -1.252
local terms energy: -80.863608
where:
bonds (distance) C4'-P energy: -16.427
bonds (distance) P-C4' energy: -22.766
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -15.533
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: 7
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -257.319796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.319796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.040357 (E_RNA)
where:
Base-Base interactions energy: -165.173
where: short stacking energy: -73.616
Base-Backbone interact. energy: -0.171
local terms energy: -95.696942
where:
bonds (distance) C4'-P energy: -18.574
bonds (distance) P-C4' energy: -24.350
flat angles C4'-P-C4' energy: -24.341
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -17.863
Dist. restrs. and SS energy: 3.721 (S_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: 69
Temperature: 1.350000
Total energy: -219.024264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.024264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.619390 (E_RNA)
where:
Base-Base interactions energy: -145.258
where: short stacking energy: -50.088
Base-Backbone interact. energy: -0.083
local terms energy: -75.279166
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -22.695
flat angles C4'-P-C4' energy: -19.181
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: -4.323
Dist. restrs. and SS energy: 1.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -374.194094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.194094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.707749 (E_RNA)
where:
Base-Base interactions energy: -267.626
where: short stacking energy: -98.226
Base-Backbone interact. energy: -0.875
local terms energy: -107.206359
where:
bonds (distance) C4'-P energy: -21.758
bonds (distance) P-C4' energy: -24.514
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -17.911
tors. eta vs tors. theta energy: -24.204
Dist. restrs. and SS energy: 1.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -357.756861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.756861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.433856 (E_RNA)
where:
Base-Base interactions energy: -247.765
where: short stacking energy: -103.404
Base-Backbone interact. energy: -1.619
local terms energy: -110.050804
where:
bonds (distance) C4'-P energy: -17.445
bonds (distance) P-C4' energy: -24.862
flat angles C4'-P-C4' energy: -23.158
flat angles P-C4'-P energy: -15.170
tors. eta vs tors. theta energy: -29.417
Dist. restrs. and SS energy: 1.677 (S_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: -354.734821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.734821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.863487 (E_RNA)
where:
Base-Base interactions energy: -248.214
where: short stacking energy: -97.596
Base-Backbone interact. energy: -0.803
local terms energy: -106.846489
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -16.109
flat angles C4'-P-C4' energy: -23.636
flat angles P-C4'-P energy: -22.709
tors. eta vs tors. theta energy: -29.130
Dist. restrs. and SS energy: 1.129 (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: 10
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -333.533231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.533231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.613452 (E_RNA)
where:
Base-Base interactions energy: -230.863
where: short stacking energy: -87.958
Base-Backbone interact. energy: -0.436
local terms energy: -103.314102
where:
bonds (distance) C4'-P energy: -24.781
bonds (distance) P-C4' energy: -25.048
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -25.818
Dist. restrs. and SS energy: 1.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -341.135738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.135738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.341710 (E_RNA)
where:
Base-Base interactions energy: -229.226
where: short stacking energy: -99.443
Base-Backbone interact. energy: -0.507
local terms energy: -112.608509
where:
bonds (distance) C4'-P energy: -22.471
bonds (distance) P-C4' energy: -20.632
flat angles C4'-P-C4' energy: -22.428
flat angles P-C4'-P energy: -17.901
tors. eta vs tors. theta energy: -29.176
Dist. restrs. and SS energy: 1.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -286.684108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.684108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.707352 (E_RNA)
where:
Base-Base interactions energy: -191.857
where: short stacking energy: -84.450
Base-Backbone interact. energy: 0.657
local terms energy: -101.507583
where:
bonds (distance) C4'-P energy: -21.714
bonds (distance) P-C4' energy: -24.504
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -14.423
tors. eta vs tors. theta energy: -24.017
Dist. restrs. and SS energy: 6.023 (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: 6
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -255.073537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.073537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.992391 (E_RNA)
where:
Base-Base interactions energy: -167.337
where: short stacking energy: -73.550
Base-Backbone interact. energy: -0.169
local terms energy: -90.487023
where:
bonds (distance) C4'-P energy: -20.276
bonds (distance) P-C4' energy: -21.731
flat angles C4'-P-C4' energy: -24.195
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -14.295
Dist. restrs. and SS energy: 2.919 (S_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: 70
Temperature: 1.250000
Total energy: -203.627258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.627258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.345751 (E_RNA)
where:
Base-Base interactions energy: -144.120
where: short stacking energy: -62.142
Base-Backbone interact. energy: -0.084
local terms energy: -63.141885
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -11.196
flat angles P-C4'-P energy: -7.528
tors. eta vs tors. theta energy: -16.455
Dist. restrs. and SS energy: 3.718 (S_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: -235.879378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.879378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.293717 (E_RNA)
where:
Base-Base interactions energy: -150.820
where: short stacking energy: -65.722
Base-Backbone interact. energy: -0.526
local terms energy: -88.948068
where:
bonds (distance) C4'-P energy: -21.221
bonds (distance) P-C4' energy: -20.788
flat angles C4'-P-C4' energy: -19.446
flat angles P-C4'-P energy: -13.768
tors. eta vs tors. theta energy: -13.724
Dist. restrs. and SS energy: 4.414 (S_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: 70
Temperature: 1.350000
Total energy: -206.380569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.380569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.130541 (E_RNA)
where:
Base-Base interactions energy: -127.992
where: short stacking energy: -46.780
Base-Backbone interact. energy: -1.180
local terms energy: -77.957874
where:
bonds (distance) C4'-P energy: -22.057
bonds (distance) P-C4' energy: -17.038
flat angles C4'-P-C4' energy: -20.135
flat angles P-C4'-P energy: -14.150
tors. eta vs tors. theta energy: -4.579
Dist. restrs. and SS energy: 0.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -368.581400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.581400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.394805 (E_RNA)
where:
Base-Base interactions energy: -256.768
where: short stacking energy: -107.127
Base-Backbone interact. energy: -1.810
local terms energy: -111.817686
where:
bonds (distance) C4'-P energy: -21.792
bonds (distance) P-C4' energy: -21.587
flat angles C4'-P-C4' energy: -23.282
flat angles P-C4'-P energy: -17.540
tors. eta vs tors. theta energy: -27.617
Dist. restrs. and SS energy: 1.813 (S_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: -358.004414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.004414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.041094 (E_RNA)
where:
Base-Base interactions energy: -243.048
where: short stacking energy: -97.423
Base-Backbone interact. energy: -1.428
local terms energy: -115.564736
where:
bonds (distance) C4'-P energy: -24.314
bonds (distance) P-C4' energy: -23.079
flat angles C4'-P-C4' energy: -22.616
flat angles P-C4'-P energy: -14.672
tors. eta vs tors. theta energy: -30.884
Dist. restrs. and SS energy: 2.037 (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: 3
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -345.020872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.020872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.979108 (E_RNA)
where:
Base-Base interactions energy: -238.567
where: short stacking energy: -93.978
Base-Backbone interact. energy: -1.738
local terms energy: -105.673589
where:
bonds (distance) C4'-P energy: -18.998
bonds (distance) P-C4' energy: -20.578
flat angles C4'-P-C4' energy: -23.481
flat angles P-C4'-P energy: -14.684
tors. eta vs tors. theta energy: -27.933
Dist. restrs. and SS energy: 0.958 (S_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: 71
Temperature: 1.050000
Total energy: -348.560621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.560621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.791666 (E_RNA)
where:
Base-Base interactions energy: -238.451
where: short stacking energy: -93.710
Base-Backbone interact. energy: -1.107
local terms energy: -110.234391
where:
bonds (distance) C4'-P energy: -18.712
bonds (distance) P-C4' energy: -26.035
flat angles C4'-P-C4' energy: -20.132
flat angles P-C4'-P energy: -17.381
tors. eta vs tors. theta energy: -27.974
Dist. restrs. and SS energy: 1.231 (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: 10
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -319.233737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.233737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.865236 (E_RNA)
where:
Base-Base interactions energy: -225.654
where: short stacking energy: -87.834
Base-Backbone interact. energy: -0.390
local terms energy: -94.820911
where:
bonds (distance) C4'-P energy: -14.995
bonds (distance) P-C4' energy: -20.693
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -16.559
tors. eta vs tors. theta energy: -26.536
Dist. restrs. and SS energy: 1.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -282.188837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.188837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.664369 (E_RNA)
where:
Base-Base interactions energy: -189.940
where: short stacking energy: -88.360
Base-Backbone interact. energy: -0.463
local terms energy: -95.261088
where:
bonds (distance) C4'-P energy: -24.069
bonds (distance) P-C4' energy: -20.766
flat angles C4'-P-C4' energy: -21.144
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -18.825
Dist. restrs. and SS energy: 3.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -235.951327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.951327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.031206 (E_RNA)
where:
Base-Base interactions energy: -143.490
where: short stacking energy: -59.448
Base-Backbone interact. energy: -0.250
local terms energy: -94.291319
where:
bonds (distance) C4'-P energy: -23.532
bonds (distance) P-C4' energy: -25.057
flat angles C4'-P-C4' energy: -23.218
flat angles P-C4'-P energy: -15.371
tors. eta vs tors. theta energy: -7.113
Dist. restrs. and SS energy: 2.080 (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: 7
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -264.631157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.631157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.990469 (E_RNA)
where:
Base-Base interactions energy: -176.280
where: short stacking energy: -58.631
Base-Backbone interact. energy: -0.558
local terms energy: -89.152675
where:
bonds (distance) C4'-P energy: -19.802
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -19.902
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -17.170
Dist. restrs. and SS energy: 1.359 (S_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: 71
Temperature: 1.300000
Total energy: -248.162033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.162033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.097291 (E_RNA)
where:
Base-Base interactions energy: -168.122
where: short stacking energy: -66.290
Base-Backbone interact. energy: -0.670
local terms energy: -82.304748
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -16.956
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -21.119
Dist. restrs. and SS energy: 2.935 (S_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: 71
Temperature: 1.350000
Total energy: -204.469538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.469538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.038063 (E_RNA)
where:
Base-Base interactions energy: -126.775
where: short stacking energy: -52.713
Base-Backbone interact. energy: -1.149
local terms energy: -77.113716
where:
bonds (distance) C4'-P energy: -23.617
bonds (distance) P-C4' energy: -23.158
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -1.893
Dist. restrs. and SS energy: 0.569 (S_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: -370.723698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.723698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.933350 (E_RNA)
where:
Base-Base interactions energy: -258.624
where: short stacking energy: -100.820
Base-Backbone interact. energy: -0.453
local terms energy: -112.855620
where:
bonds (distance) C4'-P energy: -24.182
bonds (distance) P-C4' energy: -24.871
flat angles C4'-P-C4' energy: -22.435
flat angles P-C4'-P energy: -12.749
tors. eta vs tors. theta energy: -28.619
Dist. restrs. and SS energy: 1.210 (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: 2
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -345.610705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.610705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.013518 (E_RNA)
where:
Base-Base interactions energy: -246.126
where: short stacking energy: -97.639
Base-Backbone interact. energy: -1.660
local terms energy: -99.227433
where:
bonds (distance) C4'-P energy: -19.297
bonds (distance) P-C4' energy: -25.423
flat angles C4'-P-C4' energy: -17.917
flat angles P-C4'-P energy: -16.835
tors. eta vs tors. theta energy: -19.756
Dist. restrs. and SS energy: 1.403 (S_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: 72
Temperature: 1.000000
Total energy: -346.395884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.395884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.767051 (E_RNA)
where:
Base-Base interactions energy: -240.332
where: short stacking energy: -101.306
Base-Backbone interact. energy: -0.956
local terms energy: -106.478489
where:
bonds (distance) C4'-P energy: -19.615
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -23.401
flat angles P-C4'-P energy: -16.399
tors. eta vs tors. theta energy: -27.352
Dist. restrs. and SS energy: 1.371 (S_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: 72
Temperature: 1.050000
Total energy: -356.412168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.412168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.255260 (E_RNA)
where:
Base-Base interactions energy: -253.572
where: short stacking energy: -88.325
Base-Backbone interact. energy: -0.707
local terms energy: -102.975538
where:
bonds (distance) C4'-P energy: -19.818
bonds (distance) P-C4' energy: -19.432
flat angles C4'-P-C4' energy: -22.590
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -27.599
Dist. restrs. and SS energy: 0.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -335.138382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.138382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.912501 (E_RNA)
where:
Base-Base interactions energy: -238.060
where: short stacking energy: -93.653
Base-Backbone interact. energy: -0.624
local terms energy: -97.228622
where:
bonds (distance) C4'-P energy: -23.442
bonds (distance) P-C4' energy: -21.656
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -24.301
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: 6, replica: 8
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -309.955576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.955576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.672885 (E_RNA)
where:
Base-Base interactions energy: -206.051
where: short stacking energy: -90.847
Base-Backbone interact. energy: -0.042
local terms energy: -105.579744
where:
bonds (distance) C4'-P energy: -20.377
bonds (distance) P-C4' energy: -23.521
flat angles C4'-P-C4' energy: -21.541
flat angles P-C4'-P energy: -18.065
tors. eta vs tors. theta energy: -22.077
Dist. restrs. and SS energy: 1.717 (S_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: -267.249095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.249095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.972200 (E_RNA)
where:
Base-Base interactions energy: -181.724
where: short stacking energy: -74.464
Base-Backbone interact. energy: -0.456
local terms energy: -85.792361
where:
bonds (distance) C4'-P energy: -20.279
bonds (distance) P-C4' energy: -23.030
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -16.223
tors. eta vs tors. theta energy: -11.281
Dist. restrs. and SS energy: 0.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -250.083140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.083140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.988828 (E_RNA)
where:
Base-Base interactions energy: -165.233
where: short stacking energy: -65.085
Base-Backbone interact. energy: -0.884
local terms energy: -84.871783
where:
bonds (distance) C4'-P energy: -22.515
bonds (distance) P-C4' energy: -17.676
flat angles C4'-P-C4' energy: -22.506
flat angles P-C4'-P energy: -14.195
tors. eta vs tors. theta energy: -7.979
Dist. restrs. and SS energy: 0.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -240.466257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.466257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.950119 (E_RNA)
where:
Base-Base interactions energy: -161.967
where: short stacking energy: -74.518
Base-Backbone interact. energy: -0.170
local terms energy: -82.813351
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -22.881
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -16.489
tors. eta vs tors. theta energy: -15.239
Dist. restrs. and SS energy: 4.484 (S_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: 72
Temperature: 1.350000
Total energy: -209.782846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.782846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.391351 (E_RNA)
where:
Base-Base interactions energy: -144.182
where: short stacking energy: -48.731
Base-Backbone interact. energy: 0.030
local terms energy: -78.239364
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -22.633
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -14.381
tors. eta vs tors. theta energy: -8.148
Dist. restrs. and SS energy: 12.609 (S_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: -363.428152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.428152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.861496 (E_RNA)
where:
Base-Base interactions energy: -253.689
where: short stacking energy: -101.991
Base-Backbone interact. energy: 0.055
local terms energy: -111.227137
where:
bonds (distance) C4'-P energy: -22.639
bonds (distance) P-C4' energy: -25.183
flat angles C4'-P-C4' energy: -22.688
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -28.364
Dist. restrs. and SS energy: 1.433 (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: 73
Temperature: 0.950000
Total energy: -356.759716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.759716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.955385 (E_RNA)
where:
Base-Base interactions energy: -246.988
where: short stacking energy: -94.201
Base-Backbone interact. energy: 0.656
local terms energy: -111.622689
where:
bonds (distance) C4'-P energy: -17.931
bonds (distance) P-C4' energy: -22.119
flat angles C4'-P-C4' energy: -23.225
flat angles P-C4'-P energy: -20.851
tors. eta vs tors. theta energy: -27.497
Dist. restrs. and SS energy: 1.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -341.250794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.250794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.312070 (E_RNA)
where:
Base-Base interactions energy: -240.870
where: short stacking energy: -87.600
Base-Backbone interact. energy: -0.509
local terms energy: -99.932711
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -22.324
flat angles C4'-P-C4' energy: -20.098
flat angles P-C4'-P energy: -13.910
tors. eta vs tors. theta energy: -24.898
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: 3
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -348.589668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.589668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.423283 (E_RNA)
where:
Base-Base interactions energy: -244.817
where: short stacking energy: -88.268
Base-Backbone interact. energy: -0.639
local terms energy: -103.967664
where:
bonds (distance) C4'-P energy: -21.791
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -21.569
flat angles P-C4'-P energy: -15.943
tors. eta vs tors. theta energy: -26.230
Dist. restrs. and SS energy: 0.834 (S_DIST_RNA)
chem. 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: -322.788965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.788965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.005844 (E_RNA)
where:
Base-Base interactions energy: -231.159
where: short stacking energy: -100.501
Base-Backbone interact. energy: 0.348
local terms energy: -92.195095
where:
bonds (distance) C4'-P energy: -10.192
bonds (distance) P-C4' energy: -17.133
flat angles C4'-P-C4' energy: -19.079
flat angles P-C4'-P energy: -16.955
tors. eta vs tors. theta energy: -28.837
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: 6, replica: 8
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -324.707596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.707596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.958991 (E_RNA)
where:
Base-Base interactions energy: -227.743
where: short stacking energy: -85.266
Base-Backbone interact. energy: -0.577
local terms energy: -98.638947
where:
bonds (distance) C4'-P energy: -23.158
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -23.308
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -22.368
Dist. restrs. and SS energy: 2.251 (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: 7
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -264.114172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.114172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.542112 (E_RNA)
where:
Base-Base interactions energy: -192.937
where: short stacking energy: -75.242
Base-Backbone interact. energy: 0.161
local terms energy: -74.766985
where:
bonds (distance) C4'-P energy: -10.328
bonds (distance) P-C4' energy: -17.303
flat angles C4'-P-C4' energy: -23.349
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -14.246
Dist. restrs. and SS energy: 3.428 (S_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: 73
Temperature: 1.250000
Total energy: -251.234359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.234359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.239762 (E_RNA)
where:
Base-Base interactions energy: -160.952
where: short stacking energy: -61.453
Base-Backbone interact. energy: -0.384
local terms energy: -93.903874
where:
bonds (distance) C4'-P energy: -19.692
bonds (distance) P-C4' energy: -22.632
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -17.064
tors. eta vs tors. theta energy: -17.635
Dist. restrs. and SS energy: 4.005 (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: 73
Temperature: 1.300000
Total energy: -228.113832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.113832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.422910 (E_RNA)
where:
Base-Base interactions energy: -152.522
where: short stacking energy: -63.482
Base-Backbone interact. energy: 1.289
local terms energy: -81.190567
where:
bonds (distance) C4'-P energy: -21.600
bonds (distance) P-C4' energy: -19.040
flat angles C4'-P-C4' energy: -18.224
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -10.530
Dist. restrs. and SS energy: 4.309 (S_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: 73
Temperature: 1.350000
Total energy: -202.705285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.705285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.024784 (E_RNA)
where:
Base-Base interactions energy: -125.810
where: short stacking energy: -47.331
Base-Backbone interact. energy: -1.677
local terms energy: -83.537664
where:
bonds (distance) C4'-P energy: -19.301
bonds (distance) P-C4' energy: -22.412
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -17.919
tors. eta vs tors. theta energy: -7.773
Dist. restrs. and SS energy: 8.319 (S_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: 74
Temperature: 0.900000
Total energy: -364.695509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.695509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.695509 (E_RNA)
where:
Base-Base interactions energy: -247.287
where: short stacking energy: -98.955
Base-Backbone interact. energy: 0.724
local terms energy: -118.132682
where:
bonds (distance) C4'-P energy: -23.406
bonds (distance) P-C4' energy: -22.848
flat angles C4'-P-C4' energy: -25.453
flat angles P-C4'-P energy: -16.464
tors. eta vs tors. theta energy: -29.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -364.783162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.783162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.983226 (E_RNA)
where:
Base-Base interactions energy: -255.503
where: short stacking energy: -94.154
Base-Backbone interact. energy: 0.234
local terms energy: -110.714353
where:
bonds (distance) C4'-P energy: -20.790
bonds (distance) P-C4' energy: -17.519
flat angles C4'-P-C4' energy: -24.958
flat angles P-C4'-P energy: -19.005
tors. eta vs tors. theta energy: -28.441
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: 3, replica: 3
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -339.954432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.954432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.840098 (E_RNA)
where:
Base-Base interactions energy: -240.496
where: short stacking energy: -90.538
Base-Backbone interact. energy: -1.066
local terms energy: -100.278243
where:
bonds (distance) C4'-P energy: -15.350
bonds (distance) P-C4' energy: -21.102
flat angles C4'-P-C4' energy: -22.494
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -31.220
Dist. restrs. and SS energy: 1.886 (S_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: 74
Temperature: 1.050000
Total energy: -333.676977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.676977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.891272 (E_RNA)
where:
Base-Base interactions energy: -230.936
where: short stacking energy: -80.662
Base-Backbone interact. energy: 0.917
local terms energy: -103.871815
where:
bonds (distance) C4'-P energy: -26.444
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -20.223
flat angles P-C4'-P energy: -17.834
tors. eta vs tors. theta energy: -21.774
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: 10
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -317.785839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.785839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.823579 (E_RNA)
where:
Base-Base interactions energy: -235.140
where: short stacking energy: -96.513
Base-Backbone interact. energy: -0.496
local terms energy: -83.187724
where:
bonds (distance) C4'-P energy: -16.265
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -25.443
Dist. restrs. and SS energy: 1.038 (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: 74
Temperature: 1.150000
Total energy: -301.616977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.616977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.980456 (E_RNA)
where:
Base-Base interactions energy: -196.542
where: short stacking energy: -75.538
Base-Backbone interact. energy: -0.226
local terms energy: -105.212309
where:
bonds (distance) C4'-P energy: -20.496
bonds (distance) P-C4' energy: -27.079
flat angles C4'-P-C4' energy: -21.367
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -21.913
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: 7, replica: 5
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -295.892701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.892701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.102149 (E_RNA)
where:
Base-Base interactions energy: -216.226
where: short stacking energy: -78.130
Base-Backbone interact. energy: -0.346
local terms energy: -79.530629
where:
bonds (distance) C4'-P energy: -14.568
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -21.981
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -17.784
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: 8, replica: 7
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -261.129908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.129908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.492928 (E_RNA)
where:
Base-Base interactions energy: -180.477
where: short stacking energy: -51.481
Base-Backbone interact. energy: -0.326
local terms energy: -82.690177
where:
bonds (distance) C4'-P energy: -20.720
bonds (distance) P-C4' energy: -17.257
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -15.391
tors. eta vs tors. theta energy: -11.495
Dist. restrs. and SS energy: 2.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -217.342066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.342066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.597459 (E_RNA)
where:
Base-Base interactions energy: -134.853
where: short stacking energy: -55.593
Base-Backbone interact. energy: -0.003
local terms energy: -84.741372
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -22.714
flat angles C4'-P-C4' energy: -23.370
flat angles P-C4'-P energy: -16.705
tors. eta vs tors. theta energy: -4.729
Dist. restrs. and SS energy: 2.255 (S_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: 74
Temperature: 1.350000
Total energy: -208.456770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.456770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.800446 (E_RNA)
where:
Base-Base interactions energy: -137.344
where: short stacking energy: -55.660
Base-Backbone interact. energy: -0.563
local terms energy: -77.892661
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -21.554
flat angles P-C4'-P energy: -13.488
tors. eta vs tors. theta energy: -8.953
Dist. restrs. and SS energy: 7.344 (S_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: 75
Temperature: 0.900000
Total energy: -365.851074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.851074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.236175 (E_RNA)
where:
Base-Base interactions energy: -251.934
where: short stacking energy: -98.362
Base-Backbone interact. energy: -0.687
local terms energy: -113.615474
where:
bonds (distance) C4'-P energy: -25.511
bonds (distance) P-C4' energy: -21.288
flat angles C4'-P-C4' energy: -22.553
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -30.257
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: 2, replica: 4
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -368.379014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.379014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.429105 (E_RNA)
where:
Base-Base interactions energy: -255.576
where: short stacking energy: -101.375
Base-Backbone interact. energy: -0.405
local terms energy: -114.448887
where:
bonds (distance) C4'-P energy: -23.325
bonds (distance) P-C4' energy: -25.105
flat angles C4'-P-C4' energy: -21.269
flat angles P-C4'-P energy: -16.648
tors. eta vs tors. theta energy: -28.102
Dist. restrs. and SS energy: 2.050 (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: 3
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -361.121531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.121531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.918609 (E_RNA)
where:
Base-Base interactions energy: -251.685
where: short stacking energy: -96.363
Base-Backbone interact. energy: -1.009
local terms energy: -109.224347
where:
bonds (distance) C4'-P energy: -21.827
bonds (distance) P-C4' energy: -22.348
flat angles C4'-P-C4' energy: -21.873
flat angles P-C4'-P energy: -14.279
tors. eta vs tors. theta energy: -28.898
Dist. restrs. and SS energy: 0.797 (S_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: 75
Temperature: 1.050000
Total energy: -352.156440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.156440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.927360 (E_RNA)
where:
Base-Base interactions energy: -236.118
where: short stacking energy: -92.205
Base-Backbone interact. energy: -0.869
local terms energy: -115.939649
where:
bonds (distance) C4'-P energy: -15.256
bonds (distance) P-C4' energy: -24.838
flat angles C4'-P-C4' energy: -26.485
flat angles P-C4'-P energy: -18.290
tors. eta vs tors. theta energy: -31.070
Dist. restrs. and SS energy: 0.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -335.285120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.285120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.385152 (E_RNA)
where:
Base-Base interactions energy: -222.632
where: short stacking energy: -81.068
Base-Backbone interact. energy: -0.902
local terms energy: -111.850604
where:
bonds (distance) C4'-P energy: -22.997
bonds (distance) P-C4' energy: -20.356
flat angles C4'-P-C4' energy: -23.363
flat angles P-C4'-P energy: -21.516
tors. eta vs tors. theta energy: -23.619
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: 8
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -295.559877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.559877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.139602 (E_RNA)
where:
Base-Base interactions energy: -192.783
where: short stacking energy: -83.675
Base-Backbone interact. energy: -0.459
local terms energy: -104.897813
where:
bonds (distance) C4'-P energy: -22.130
bonds (distance) P-C4' energy: -24.338
flat angles C4'-P-C4' energy: -18.404
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -26.867
Dist. restrs. and SS energy: 2.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -299.329925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.329925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.020592 (E_RNA)
where:
Base-Base interactions energy: -199.024
where: short stacking energy: -67.541
Base-Backbone interact. energy: -0.625
local terms energy: -100.371711
where:
bonds (distance) C4'-P energy: -21.027
bonds (distance) P-C4' energy: -17.856
flat angles C4'-P-C4' energy: -20.200
flat angles P-C4'-P energy: -17.095
tors. eta vs tors. theta energy: -24.194
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: 8, replica: 7
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -239.494551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.494551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.925101 (E_RNA)
where:
Base-Base interactions energy: -159.158
where: short stacking energy: -50.667
Base-Backbone interact. energy: -0.054
local terms energy: -85.712810
where:
bonds (distance) C4'-P energy: -20.297
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -22.008
flat angles P-C4'-P energy: -15.881
tors. eta vs tors. theta energy: -10.098
Dist. restrs. and SS energy: 5.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -214.162663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.162663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.826140 (E_RNA)
where:
Base-Base interactions energy: -136.064
where: short stacking energy: -62.224
Base-Backbone interact. energy: -0.173
local terms energy: -81.588976
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -19.087
flat angles C4'-P-C4' energy: -20.371
flat angles P-C4'-P energy: -15.921
tors. eta vs tors. theta energy: -9.977
Dist. restrs. and SS energy: 3.663 (S_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: 75
Temperature: 1.350000
Total energy: -233.368308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.368308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.702452 (E_RNA)
where:
Base-Base interactions energy: -153.634
where: short stacking energy: -64.858
Base-Backbone interact. energy: 0.521
local terms energy: -85.589530
where:
bonds (distance) C4'-P energy: -21.015
bonds (distance) P-C4' energy: -17.514
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -13.986
tors. eta vs tors. theta energy: -17.636
Dist. restrs. and SS energy: 5.334 (S_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: 76
Temperature: 0.900000
Total energy: -368.348047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.348047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.311936 (E_RNA)
where:
Base-Base interactions energy: -267.633
where: short stacking energy: -101.608
Base-Backbone interact. energy: 0.730
local terms energy: -102.408752
where:
bonds (distance) C4'-P energy: -25.299
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -21.074
flat angles P-C4'-P energy: -16.242
tors. eta vs tors. theta energy: -26.530
Dist. restrs. and SS energy: 0.964 (S_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: 76
Temperature: 0.950000
Total energy: -354.981303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.981303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.496779 (E_RNA)
where:
Base-Base interactions energy: -244.444
where: short stacking energy: -103.668
Base-Backbone interact. energy: -0.280
local terms energy: -111.773393
where:
bonds (distance) C4'-P energy: -24.673
bonds (distance) P-C4' energy: -25.624
flat angles C4'-P-C4' energy: -20.392
flat angles P-C4'-P energy: -13.896
tors. eta vs tors. theta energy: -27.188
Dist. restrs. and SS energy: 1.515 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -357.724869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.724869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.133370 (E_RNA)
where:
Base-Base interactions energy: -248.269
where: short stacking energy: -96.988
Base-Backbone interact. energy: -0.662
local terms energy: -110.202281
where:
bonds (distance) C4'-P energy: -20.285
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -24.684
flat angles P-C4'-P energy: -18.115
tors. eta vs tors. theta energy: -29.370
Dist. restrs. and SS energy: 1.409 (S_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: 76
Temperature: 1.050000
Total energy: -342.306798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.306798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.555072 (E_RNA)
where:
Base-Base interactions energy: -231.163
where: short stacking energy: -89.672
Base-Backbone interact. energy: -0.765
local terms energy: -111.627869
where:
bonds (distance) C4'-P energy: -21.112
bonds (distance) P-C4' energy: -23.634
flat angles C4'-P-C4' energy: -23.008
flat angles P-C4'-P energy: -17.463
tors. eta vs tors. theta energy: -26.411
Dist. restrs. and SS energy: 1.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -335.995747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.995747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.402955 (E_RNA)
where:
Base-Base interactions energy: -233.150
where: short stacking energy: -97.194
Base-Backbone interact. energy: -1.764
local terms energy: -101.488526
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -21.515
flat angles C4'-P-C4' energy: -19.838
flat angles P-C4'-P energy: -16.129
tors. eta vs tors. theta energy: -29.398
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: 6, replica: 8
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -280.868268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.868268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.395035 (E_RNA)
where:
Base-Base interactions energy: -183.613
where: short stacking energy: -76.429
Base-Backbone interact. energy: -0.279
local terms energy: -97.503180
where:
bonds (distance) C4'-P energy: -20.177
bonds (distance) P-C4' energy: -24.560
flat angles C4'-P-C4' energy: -18.090
flat angles P-C4'-P energy: -15.564
tors. eta vs tors. theta energy: -19.112
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: 7, replica: 5
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -278.707955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.707955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.841289 (E_RNA)
where:
Base-Base interactions energy: -187.672
where: short stacking energy: -73.517
Base-Backbone interact. energy: -0.598
local terms energy: -90.571262
where:
bonds (distance) C4'-P energy: -24.929
bonds (distance) P-C4' energy: -22.490
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -15.090
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: 8, replica: 7
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -260.440262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.440262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.621326 (E_RNA)
where:
Base-Base interactions energy: -166.841
where: short stacking energy: -78.430
Base-Backbone interact. energy: -0.909
local terms energy: -97.871818
where:
bonds (distance) C4'-P energy: -19.493
bonds (distance) P-C4' energy: -22.570
flat angles C4'-P-C4' energy: -22.863
flat angles P-C4'-P energy: -16.010
tors. eta vs tors. theta energy: -16.936
Dist. restrs. and SS energy: 5.181 (S_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: 76
Temperature: 1.300000
Total energy: -251.806688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.806688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.927969 (E_RNA)
where:
Base-Base interactions energy: -177.505
where: short stacking energy: -71.890
Base-Backbone interact. energy: -0.371
local terms energy: -78.051035
where:
bonds (distance) C4'-P energy: -18.985
bonds (distance) P-C4' energy: -15.400
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -16.830
Dist. restrs. and SS energy: 4.121 (S_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: 76
Temperature: 1.350000
Total energy: -204.651779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.651779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.783496 (E_RNA)
where:
Base-Base interactions energy: -130.491
where: short stacking energy: -51.013
Base-Backbone interact. energy: 1.467
local terms energy: -77.759600
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -23.528
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -16.368
tors. eta vs tors. theta energy: -3.840
Dist. restrs. and SS energy: 2.132 (S_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: 77
Temperature: 0.900000
Total energy: -368.037165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.037165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.102668 (E_RNA)
where:
Base-Base interactions energy: -262.534
where: short stacking energy: -98.928
Base-Backbone interact. energy: -1.737
local terms energy: -103.831279
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -21.873
flat angles C4'-P-C4' energy: -23.554
flat angles P-C4'-P energy: -14.906
tors. eta vs tors. theta energy: -24.435
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: 2, replica: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -360.232813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.232813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.521782 (E_RNA)
where:
Base-Base interactions energy: -249.971
where: short stacking energy: -100.874
Base-Backbone interact. energy: -0.353
local terms energy: -111.197996
where:
bonds (distance) C4'-P energy: -20.785
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -25.104
flat angles P-C4'-P energy: -16.717
tors. eta vs tors. theta energy: -30.030
Dist. restrs. and SS energy: 1.289 (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: 77
Temperature: 1.000000
Total energy: -361.541395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.541395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.232387 (E_RNA)
where:
Base-Base interactions energy: -254.666
where: short stacking energy: -95.337
Base-Backbone interact. energy: -1.746
local terms energy: -105.820050
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -20.171
flat angles C4'-P-C4' energy: -19.823
flat angles P-C4'-P energy: -19.560
tors. eta vs tors. theta energy: -28.735
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: 4, replica: 3
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -344.381649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.381649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.625595 (E_RNA)
where:
Base-Base interactions energy: -243.789
where: short stacking energy: -95.685
Base-Backbone interact. energy: -0.720
local terms energy: -101.116291
where:
bonds (distance) C4'-P energy: -19.936
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -15.977
tors. eta vs tors. theta energy: -29.484
Dist. restrs. and SS energy: 1.244 (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: 10
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -336.691493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.691493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.203421 (E_RNA)
where:
Base-Base interactions energy: -238.547
where: short stacking energy: -87.806
Base-Backbone interact. energy: 0.577
local terms energy: -99.233157
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -24.580
flat angles C4'-P-C4' energy: -24.126
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -22.555
Dist. restrs. and SS energy: 0.512 (S_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: 77
Temperature: 1.150000
Total energy: -273.310648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.310648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.488251 (E_RNA)
where:
Base-Base interactions energy: -184.926
where: short stacking energy: -65.854
Base-Backbone interact. energy: -0.608
local terms energy: -87.954670
where:
bonds (distance) C4'-P energy: -21.065
bonds (distance) P-C4' energy: -24.845
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -16.058
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: 7, replica: 5
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -300.486527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.486527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.636806 (E_RNA)
where:
Base-Base interactions energy: -205.889
where: short stacking energy: -80.319
Base-Backbone interact. energy: 0.692
local terms energy: -95.439668
where:
bonds (distance) C4'-P energy: -20.677
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -24.088
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -21.578
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: 8, replica: 1
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -246.262877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.262877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.022058 (E_RNA)
where:
Base-Base interactions energy: -166.221
where: short stacking energy: -65.431
Base-Backbone interact. energy: -0.201
local terms energy: -81.599620
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -22.950
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -17.531
tors. eta vs tors. theta energy: -12.113
Dist. restrs. and SS energy: 1.759 (S_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: 77
Temperature: 1.300000
Total energy: -228.003225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.003225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.279455 (E_RNA)
where:
Base-Base interactions energy: -152.453
where: short stacking energy: -65.269
Base-Backbone interact. energy: -0.244
local terms energy: -84.583081
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -23.432
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -12.978
Dist. restrs. and SS energy: 9.276 (S_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: 77
Temperature: 1.350000
Total energy: -199.986030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.986030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.310560 (E_RNA)
where:
Base-Base interactions energy: -126.553
where: short stacking energy: -39.980
Base-Backbone interact. energy: 0.275
local terms energy: -74.031813
where:
bonds (distance) C4'-P energy: -22.358
bonds (distance) P-C4' energy: -19.403
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -3.490
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: 1, replica: 2
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -366.977029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.977029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.308849 (E_RNA)
where:
Base-Base interactions energy: -250.843
where: short stacking energy: -101.152
Base-Backbone interact. energy: -0.454
local terms energy: -117.011886
where:
bonds (distance) C4'-P energy: -23.766
bonds (distance) P-C4' energy: -23.250
flat angles C4'-P-C4' energy: -25.531
flat angles P-C4'-P energy: -14.358
tors. eta vs tors. theta energy: -30.107
Dist. restrs. and SS energy: 1.332 (S_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: 78
Temperature: 0.950000
Total energy: -353.799393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.799393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.453873 (E_RNA)
where:
Base-Base interactions energy: -240.807
where: short stacking energy: -92.499
Base-Backbone interact. energy: -0.661
local terms energy: -113.985968
where:
bonds (distance) C4'-P energy: -23.738
bonds (distance) P-C4' energy: -21.693
flat angles C4'-P-C4' energy: -22.905
flat angles P-C4'-P energy: -17.822
tors. eta vs tors. theta energy: -27.828
Dist. restrs. and SS energy: 1.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -359.104877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.104877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.187051 (E_RNA)
where:
Base-Base interactions energy: -250.589
where: short stacking energy: -93.711
Base-Backbone interact. energy: -0.604
local terms energy: -108.993706
where:
bonds (distance) C4'-P energy: -18.103
bonds (distance) P-C4' energy: -23.956
flat angles C4'-P-C4' energy: -26.375
flat angles P-C4'-P energy: -17.008
tors. eta vs tors. theta energy: -23.552
Dist. restrs. and SS energy: 1.082 (S_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: 78
Temperature: 1.050000
Total energy: -352.579385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.579385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.912744 (E_RNA)
where:
Base-Base interactions energy: -243.150
where: short stacking energy: -92.120
Base-Backbone interact. energy: -0.354
local terms energy: -110.409463
where:
bonds (distance) C4'-P energy: -24.342
bonds (distance) P-C4' energy: -21.631
flat angles C4'-P-C4' energy: -24.053
flat angles P-C4'-P energy: -15.913
tors. eta vs tors. theta energy: -24.471
Dist. restrs. and SS energy: 1.333 (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: 10
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -342.114638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.114638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.877140 (E_RNA)
where:
Base-Base interactions energy: -239.207
where: short stacking energy: -82.337
Base-Backbone interact. energy: -1.089
local terms energy: -102.581431
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -25.204
flat angles C4'-P-C4' energy: -26.128
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -23.532
Dist. restrs. and SS energy: 0.763 (S_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: 78
Temperature: 1.150000
Total energy: -271.137886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.137886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.555396 (E_RNA)
where:
Base-Base interactions energy: -172.852
where: short stacking energy: -66.376
Base-Backbone interact. energy: 0.118
local terms energy: -100.820966
where:
bonds (distance) C4'-P energy: -22.900
bonds (distance) P-C4' energy: -24.251
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -17.790
tors. eta vs tors. theta energy: -17.802
Dist. restrs. and SS energy: 2.418 (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: 5
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -309.402540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.402540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.222230 (E_RNA)
where:
Base-Base interactions energy: -218.815
where: short stacking energy: -93.322
Base-Backbone interact. energy: -0.283
local terms energy: -91.124733
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -17.542
flat angles C4'-P-C4' energy: -22.367
flat angles P-C4'-P energy: -13.749
tors. eta vs tors. theta energy: -25.667
Dist. restrs. and SS energy: 0.820 (S_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: 78
Temperature: 1.250000
Total energy: -237.580863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.580863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.079491 (E_RNA)
where:
Base-Base interactions energy: -152.797
where: short stacking energy: -61.515
Base-Backbone interact. energy: -0.456
local terms energy: -87.825938
where:
bonds (distance) C4'-P energy: -19.833
bonds (distance) P-C4' energy: -24.390
flat angles C4'-P-C4' energy: -19.934
flat angles P-C4'-P energy: -16.362
tors. eta vs tors. theta energy: -7.307
Dist. restrs. and SS energy: 3.499 (S_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: 78
Temperature: 1.300000
Total energy: -214.553575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.553575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.244993 (E_RNA)
where:
Base-Base interactions energy: -142.279
where: short stacking energy: -49.857
Base-Backbone interact. energy: -3.136
local terms energy: -69.830192
where:
bonds (distance) C4'-P energy: -19.817
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -17.944
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -4.380
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: 10, replica: 7
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -215.964680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.964680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.678474 (E_RNA)
where:
Base-Base interactions energy: -122.650
where: short stacking energy: -53.889
Base-Backbone interact. energy: -1.616
local terms energy: -93.413009
where:
bonds (distance) C4'-P energy: -21.361
bonds (distance) P-C4' energy: -23.846
flat angles C4'-P-C4' energy: -20.338
flat angles P-C4'-P energy: -19.078
tors. eta vs tors. theta energy: -8.790
Dist. restrs. and SS energy: 1.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -365.936517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.936517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.137713 (E_RNA)
where:
Base-Base interactions energy: -257.645
where: short stacking energy: -106.998
Base-Backbone interact. energy: -0.209
local terms energy: -109.284067
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -19.565
flat angles C4'-P-C4' energy: -23.610
flat angles P-C4'-P energy: -17.521
tors. eta vs tors. theta energy: -30.850
Dist. restrs. and SS energy: 1.201 (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: 3
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -365.905643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.905643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.399782 (E_RNA)
where:
Base-Base interactions energy: -259.472
where: short stacking energy: -99.658
Base-Backbone interact. energy: -1.315
local terms energy: -105.613207
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -22.914
flat angles C4'-P-C4' energy: -23.205
flat angles P-C4'-P energy: -18.274
tors. eta vs tors. theta energy: -24.417
Dist. restrs. and SS energy: 0.494 (S_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: 79
Temperature: 1.000000
Total energy: -352.593436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.593436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.484915 (E_RNA)
where:
Base-Base interactions energy: -236.661
where: short stacking energy: -95.244
Base-Backbone interact. energy: -0.749
local terms energy: -116.075420
where:
bonds (distance) C4'-P energy: -21.211
bonds (distance) P-C4' energy: -21.447
flat angles C4'-P-C4' energy: -24.507
flat angles P-C4'-P energy: -19.053
tors. eta vs tors. theta energy: -29.857
Dist. restrs. and SS energy: 0.891 (S_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: 79
Temperature: 1.050000
Total energy: -366.059189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.059189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.750696 (E_RNA)
where:
Base-Base interactions energy: -257.924
where: short stacking energy: -98.279
Base-Backbone interact. energy: -0.903
local terms energy: -107.923729
where:
bonds (distance) C4'-P energy: -19.452
bonds (distance) P-C4' energy: -20.712
flat angles C4'-P-C4' energy: -24.484
flat angles P-C4'-P energy: -17.054
tors. eta vs tors. theta energy: -26.223
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: 5, replica: 10
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -329.461686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.461686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.098610 (E_RNA)
where:
Base-Base interactions energy: -231.232
where: short stacking energy: -91.092
Base-Backbone interact. energy: -1.576
local terms energy: -98.290071
where:
bonds (distance) C4'-P energy: -19.374
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -23.586
flat angles P-C4'-P energy: -13.936
tors. eta vs tors. theta energy: -22.120
Dist. restrs. and SS energy: 1.637 (S_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: 79
Temperature: 1.150000
Total energy: -321.436255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.436255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.497191 (E_RNA)
where:
Base-Base interactions energy: -227.452
where: short stacking energy: -90.386
Base-Backbone interact. energy: -0.641
local terms energy: -93.403887
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -23.322
flat angles P-C4'-P energy: -14.559
tors. eta vs tors. theta energy: -22.798
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: 79
Temperature: 1.200000
Total energy: -286.909401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.909401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.841171 (E_RNA)
where:
Base-Base interactions energy: -198.405
where: short stacking energy: -81.410
Base-Backbone interact. energy: -0.207
local terms energy: -91.228900
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -26.188
flat angles C4'-P-C4' energy: -20.830
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -14.415
Dist. restrs. and SS energy: 2.932 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -219.821908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.821908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.156629 (E_RNA)
where:
Base-Base interactions energy: -136.898
where: short stacking energy: -63.842
Base-Backbone interact. energy: -1.308
local terms energy: -85.951290
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -25.657
flat angles C4'-P-C4' energy: -18.954
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -9.476
Dist. restrs. and SS energy: 4.335 (S_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: 79
Temperature: 1.300000
Total energy: -244.741804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.741804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.505019 (E_RNA)
where:
Base-Base interactions energy: -165.932
where: short stacking energy: -63.288
Base-Backbone interact. energy: -0.219
local terms energy: -80.353827
where:
bonds (distance) C4'-P energy: -19.707
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -16.551
tors. eta vs tors. theta energy: -13.818
Dist. restrs. and SS energy: 1.763 (S_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: 79
Temperature: 1.350000
Total energy: -212.100706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.100706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.767691 (E_RNA)
where:
Base-Base interactions energy: -133.089
where: short stacking energy: -52.490
Base-Backbone interact. energy: 1.421
local terms energy: -83.099860
where:
bonds (distance) C4'-P energy: -22.991
bonds (distance) P-C4' energy: -21.643
flat angles C4'-P-C4' energy: -18.541
flat angles P-C4'-P energy: -12.917
tors. eta vs tors. theta energy: -7.008
Dist. restrs. and SS energy: 2.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -369.628098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.628098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.888762 (E_RNA)
where:
Base-Base interactions energy: -251.187
where: short stacking energy: -103.289
Base-Backbone interact. energy: -0.388
local terms energy: -118.314221
where:
bonds (distance) C4'-P energy: -24.098
bonds (distance) P-C4' energy: -25.385
flat angles C4'-P-C4' energy: -25.437
flat angles P-C4'-P energy: -15.353
tors. eta vs tors. theta energy: -28.041
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: 2
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -360.295469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.295469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.361403 (E_RNA)
where:
Base-Base interactions energy: -252.762
where: short stacking energy: -102.950
Base-Backbone interact. energy: -0.880
local terms energy: -107.719464
where:
bonds (distance) C4'-P energy: -21.333
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -20.683
flat angles P-C4'-P energy: -17.520
tors. eta vs tors. theta energy: -29.952
Dist. restrs. and SS energy: 1.066 (S_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: 80
Temperature: 1.000000
Total energy: -358.587456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.587456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.070278 (E_RNA)
where:
Base-Base interactions energy: -251.003
where: short stacking energy: -97.069
Base-Backbone interact. energy: -1.431
local terms energy: -107.636677
where:
bonds (distance) C4'-P energy: -20.509
bonds (distance) P-C4' energy: -21.144
flat angles C4'-P-C4' energy: -22.527
flat angles P-C4'-P energy: -14.756
tors. eta vs tors. theta energy: -28.700
Dist. restrs. and SS energy: 1.483 (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: 4
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -350.121156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.121156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.547706 (E_RNA)
where:
Base-Base interactions energy: -238.133
where: short stacking energy: -93.249
Base-Backbone interact. energy: 0.021
local terms energy: -113.434858
where:
bonds (distance) C4'-P energy: -22.963
bonds (distance) P-C4' energy: -26.897
flat angles C4'-P-C4' energy: -19.223
flat angles P-C4'-P energy: -16.870
tors. eta vs tors. theta energy: -27.482
Dist. restrs. and SS energy: 1.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -339.775864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.775864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.749873 (E_RNA)
where:
Base-Base interactions energy: -239.135
where: short stacking energy: -86.370
Base-Backbone interact. energy: -0.891
local terms energy: -100.724435
where:
bonds (distance) C4'-P energy: -18.826
bonds (distance) P-C4' energy: -22.287
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -15.961
tors. eta vs tors. theta energy: -26.051
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: 10
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -342.366036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.366036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.772196 (E_RNA)
where:
Base-Base interactions energy: -233.656
where: short stacking energy: -86.056
Base-Backbone interact. energy: -0.766
local terms energy: -108.350222
where:
bonds (distance) C4'-P energy: -24.312
bonds (distance) P-C4' energy: -22.400
flat angles C4'-P-C4' energy: -22.939
flat angles P-C4'-P energy: -13.872
tors. eta vs tors. theta energy: -24.828
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: 7, replica: 8
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -252.485065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.485065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.447635 (E_RNA)
where:
Base-Base interactions energy: -173.344
where: short stacking energy: -77.664
Base-Backbone interact. energy: 0.549
local terms energy: -81.652522
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -11.589
flat angles C4'-P-C4' energy: -22.669
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -18.184
Dist. restrs. and SS energy: 1.963 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -222.870909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.870909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.456077 (E_RNA)
where:
Base-Base interactions energy: -136.393
where: short stacking energy: -61.038
Base-Backbone interact. energy: -0.038
local terms energy: -90.025204
where:
bonds (distance) C4'-P energy: -20.009
bonds (distance) P-C4' energy: -23.908
flat angles C4'-P-C4' energy: -18.923
flat angles P-C4'-P energy: -14.251
tors. eta vs tors. theta energy: -12.934
Dist. restrs. and SS energy: 3.585 (S_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: 80
Temperature: 1.300000
Total energy: -216.170482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.170482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.678156 (E_RNA)
where:
Base-Base interactions energy: -147.832
where: short stacking energy: -65.145
Base-Backbone interact. energy: 0.884
local terms energy: -72.730247
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -18.665
flat angles P-C4'-P energy: -14.882
tors. eta vs tors. theta energy: -9.482
Dist. restrs. and SS energy: 3.508 (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: 7
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -209.536432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.536432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.151079 (E_RNA)
where:
Base-Base interactions energy: -134.394
where: short stacking energy: -62.394
Base-Backbone interact. energy: 0.254
local terms energy: -78.010415
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -18.389
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -18.718
Dist. restrs. and SS energy: 2.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -367.971964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.971964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.266546 (E_RNA)
where:
Base-Base interactions energy: -258.098
where: short stacking energy: -96.755
Base-Backbone interact. energy: 0.526
local terms energy: -111.694131
where:
bonds (distance) C4'-P energy: -17.715
bonds (distance) P-C4' energy: -26.793
flat angles C4'-P-C4' energy: -24.848
flat angles P-C4'-P energy: -16.769
tors. eta vs tors. theta energy: -25.568
Dist. restrs. and SS energy: 1.295 (S_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: 81
Temperature: 0.950000
Total energy: -358.696057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.696057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.716378 (E_RNA)
where:
Base-Base interactions energy: -243.133
where: short stacking energy: -106.848
Base-Backbone interact. energy: -2.129
local terms energy: -114.455051
where:
bonds (distance) C4'-P energy: -22.657
bonds (distance) P-C4' energy: -23.873
flat angles C4'-P-C4' energy: -22.380
flat angles P-C4'-P energy: -15.522
tors. eta vs tors. theta energy: -30.022
Dist. restrs. and SS energy: 1.020 (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: 2
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -362.090578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.090578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.072045 (E_RNA)
where:
Base-Base interactions energy: -253.423
where: short stacking energy: -100.675
Base-Backbone interact. energy: -0.759
local terms energy: -108.890595
where:
bonds (distance) C4'-P energy: -20.140
bonds (distance) P-C4' energy: -21.789
flat angles C4'-P-C4' energy: -23.861
flat angles P-C4'-P energy: -14.014
tors. eta vs tors. theta energy: -29.087
Dist. restrs. and SS energy: 0.981 (S_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: 81
Temperature: 1.050000
Total energy: -349.283835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.283835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.171918 (E_RNA)
where:
Base-Base interactions energy: -240.658
where: short stacking energy: -98.482
Base-Backbone interact. energy: -0.802
local terms energy: -108.711789
where:
bonds (distance) C4'-P energy: -21.618
bonds (distance) P-C4' energy: -20.083
flat angles C4'-P-C4' energy: -24.636
flat angles P-C4'-P energy: -14.661
tors. eta vs tors. theta energy: -27.715
Dist. restrs. and SS energy: 0.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -342.888984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.888984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.982085 (E_RNA)
where:
Base-Base interactions energy: -251.515
where: short stacking energy: -96.483
Base-Backbone interact. energy: -2.189
local terms energy: -91.278207
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -20.253
flat angles C4'-P-C4' energy: -19.378
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -27.116
Dist. restrs. and SS energy: 2.093 (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: 10
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -333.503965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.503965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.588367 (E_RNA)
where:
Base-Base interactions energy: -240.870
where: short stacking energy: -84.312
Base-Backbone interact. energy: 0.548
local terms energy: -95.266805
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -20.030
flat angles C4'-P-C4' energy: -23.097
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -24.337
Dist. restrs. and SS energy: 2.084 (S_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: 81
Temperature: 1.200000
Total energy: -240.767919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.767919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.580999 (E_RNA)
where:
Base-Base interactions energy: -168.149
where: short stacking energy: -69.308
Base-Backbone interact. energy: 1.422
local terms energy: -76.854026
where:
bonds (distance) C4'-P energy: -20.869
bonds (distance) P-C4' energy: -21.123
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: -10.837
Dist. restrs. and SS energy: 2.813 (S_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: 81
Temperature: 1.250000
Total energy: -223.052904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.052904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.633784 (E_RNA)
where:
Base-Base interactions energy: -154.822
where: short stacking energy: -61.450
Base-Backbone interact. energy: 0.291
local terms energy: -76.102353
where:
bonds (distance) C4'-P energy: -22.469
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -9.197
Dist. restrs. and SS energy: 7.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -250.568238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.568238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.622911 (E_RNA)
where:
Base-Base interactions energy: -158.797
where: short stacking energy: -65.719
Base-Backbone interact. energy: -0.498
local terms energy: -94.327540
where:
bonds (distance) C4'-P energy: -22.160
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -26.215
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -16.759
Dist. restrs. and SS energy: 3.055 (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: 7
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -240.159646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.159646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.730067 (E_RNA)
where:
Base-Base interactions energy: -156.093
where: short stacking energy: -66.984
Base-Backbone interact. energy: -0.626
local terms energy: -87.010557
where:
bonds (distance) C4'-P energy: -18.169
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -22.354
flat angles P-C4'-P energy: -13.901
tors. eta vs tors. theta energy: -15.417
Dist. restrs. and SS energy: 3.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -365.263806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.263806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.386304 (E_RNA)
where:
Base-Base interactions energy: -256.608
where: short stacking energy: -95.670
Base-Backbone interact. energy: 0.986
local terms energy: -109.763326
where:
bonds (distance) C4'-P energy: -23.175
bonds (distance) P-C4' energy: -27.594
flat angles C4'-P-C4' energy: -18.978
flat angles P-C4'-P energy: -14.080
tors. eta vs tors. theta energy: -25.937
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: 9
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -363.862972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.862972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.891858 (E_RNA)
where:
Base-Base interactions energy: -243.820
where: short stacking energy: -98.260
Base-Backbone interact. energy: -0.486
local terms energy: -120.586224
where:
bonds (distance) C4'-P energy: -22.969
bonds (distance) P-C4' energy: -25.176
flat angles C4'-P-C4' energy: -21.745
flat angles P-C4'-P energy: -20.226
tors. eta vs tors. theta energy: -30.470
Dist. restrs. and SS energy: 1.029 (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: 4
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -353.038611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.038611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.825348 (E_RNA)
where:
Base-Base interactions energy: -243.091
where: short stacking energy: -88.146
Base-Backbone interact. energy: 0.312
local terms energy: -111.045980
where:
bonds (distance) C4'-P energy: -22.400
bonds (distance) P-C4' energy: -25.492
flat angles C4'-P-C4' energy: -23.281
flat angles P-C4'-P energy: -15.015
tors. eta vs tors. theta energy: -24.858
Dist. restrs. and SS energy: 0.787 (S_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: 82
Temperature: 1.050000
Total energy: -354.694267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.694267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.119883 (E_RNA)
where:
Base-Base interactions energy: -252.263
where: short stacking energy: -93.421
Base-Backbone interact. energy: -0.415
local terms energy: -102.441641
where:
bonds (distance) C4'-P energy: -19.587
bonds (distance) P-C4' energy: -22.964
flat angles C4'-P-C4' energy: -22.716
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -23.551
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: 5, replica: 10
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -341.301175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.301175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.335655 (E_RNA)
where:
Base-Base interactions energy: -244.419
where: short stacking energy: -81.883
Base-Backbone interact. energy: 1.231
local terms energy: -99.147221
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -19.163
flat angles C4'-P-C4' energy: -21.171
flat angles P-C4'-P energy: -15.451
tors. eta vs tors. theta energy: -24.100
Dist. restrs. and SS energy: 1.034 (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: 5
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -313.898954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.898954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.120576 (E_RNA)
where:
Base-Base interactions energy: -211.825
where: short stacking energy: -85.839
Base-Backbone interact. energy: 0.000
local terms energy: -102.295922
where:
bonds (distance) C4'-P energy: -20.750
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -26.783
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -23.016
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: 7, replica: 8
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -259.043543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.043543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.431948 (E_RNA)
where:
Base-Base interactions energy: -169.170
where: short stacking energy: -66.508
Base-Backbone interact. energy: -0.288
local terms energy: -89.973506
where:
bonds (distance) C4'-P energy: -22.099
bonds (distance) P-C4' energy: -19.860
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -14.576
tors. eta vs tors. theta energy: -15.730
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: 8, replica: 1
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -238.159968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.159968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.799039 (E_RNA)
where:
Base-Base interactions energy: -150.207
where: short stacking energy: -64.108
Base-Backbone interact. energy: -1.403
local terms energy: -89.189315
where:
bonds (distance) C4'-P energy: -19.636
bonds (distance) P-C4' energy: -23.899
flat angles C4'-P-C4' energy: -20.369
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -12.818
Dist. restrs. and SS energy: 2.639 (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: 7
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -214.057566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.057566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.208589 (E_RNA)
where:
Base-Base interactions energy: -139.950
where: short stacking energy: -59.124
Base-Backbone interact. energy: -0.786
local terms energy: -78.472276
where:
bonds (distance) C4'-P energy: -21.270
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -20.836
flat angles P-C4'-P energy: -14.284
tors. eta vs tors. theta energy: -8.790
Dist. restrs. and SS energy: 5.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -238.905319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.905319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.268567 (E_RNA)
where:
Base-Base interactions energy: -157.667
where: short stacking energy: -67.700
Base-Backbone interact. energy: -0.608
local terms energy: -87.993601
where:
bonds (distance) C4'-P energy: -21.849
bonds (distance) P-C4' energy: -26.368
flat angles C4'-P-C4' energy: -18.335
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -13.104
Dist. restrs. and SS energy: 7.363 (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: 83
Temperature: 0.900000
Total energy: -375.832409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.832409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.988072 (E_RNA)
where:
Base-Base interactions energy: -263.007
where: short stacking energy: -103.323
Base-Backbone interact. energy: -0.455
local terms energy: -112.525536
where:
bonds (distance) C4'-P energy: -25.323
bonds (distance) P-C4' energy: -22.011
flat angles C4'-P-C4' energy: -20.760
flat angles P-C4'-P energy: -14.993
tors. eta vs tors. theta energy: -29.439
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: 83
Temperature: 0.950000
Total energy: -347.600820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.600820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.193942 (E_RNA)
where:
Base-Base interactions energy: -241.827
where: short stacking energy: -96.962
Base-Backbone interact. energy: -0.957
local terms energy: -106.409878
where:
bonds (distance) C4'-P energy: -20.562
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -26.719
flat angles P-C4'-P energy: -13.949
tors. eta vs tors. theta energy: -26.708
Dist. restrs. and SS energy: 1.593 (S_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: 83
Temperature: 1.000000
Total energy: -348.129713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.129713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.771168 (E_RNA)
where:
Base-Base interactions energy: -245.210
where: short stacking energy: -95.371
Base-Backbone interact. energy: -0.489
local terms energy: -104.072087
where:
bonds (distance) C4'-P energy: -24.910
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -21.360
flat angles P-C4'-P energy: -17.793
tors. eta vs tors. theta energy: -22.465
Dist. restrs. and SS energy: 1.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -340.537493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.537493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.279066 (E_RNA)
where:
Base-Base interactions energy: -249.876
where: short stacking energy: -98.385
Base-Backbone interact. energy: -0.526
local terms energy: -90.877116
where:
bonds (distance) C4'-P energy: -20.341
bonds (distance) P-C4' energy: -17.919
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -26.222
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: 5, replica: 2
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -334.617362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.617362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.437558 (E_RNA)
where:
Base-Base interactions energy: -233.520
where: short stacking energy: -84.016
Base-Backbone interact. energy: -0.581
local terms energy: -102.336556
where:
bonds (distance) C4'-P energy: -21.215
bonds (distance) P-C4' energy: -20.535
flat angles C4'-P-C4' energy: -22.367
flat angles P-C4'-P energy: -16.217
tors. eta vs tors. theta energy: -22.003
Dist. restrs. and SS energy: 1.820 (S_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: 83
Temperature: 1.150000
Total energy: -302.644655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.644655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.946599 (E_RNA)
where:
Base-Base interactions energy: -204.454
where: short stacking energy: -85.642
Base-Backbone interact. energy: -0.094
local terms energy: -98.398792
where:
bonds (distance) C4'-P energy: -16.737
bonds (distance) P-C4' energy: -22.140
flat angles C4'-P-C4' energy: -19.442
flat angles P-C4'-P energy: -17.202
tors. eta vs tors. theta energy: -22.877
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: 7, replica: 5
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -272.676549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.676549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.884605 (E_RNA)
where:
Base-Base interactions energy: -196.713
where: short stacking energy: -72.486
Base-Backbone interact. energy: -0.281
local terms energy: -75.890244
where:
bonds (distance) C4'-P energy: -9.210
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -18.433
flat angles P-C4'-P energy: -18.150
tors. eta vs tors. theta energy: -16.660
Dist. restrs. and SS energy: 0.208 (S_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: 83
Temperature: 1.250000
Total energy: -257.308683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.308683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.512386 (E_RNA)
where:
Base-Base interactions energy: -173.817
where: short stacking energy: -69.495
Base-Backbone interact. energy: -0.126
local terms energy: -85.569609
where:
bonds (distance) C4'-P energy: -23.431
bonds (distance) P-C4' energy: -10.671
flat angles C4'-P-C4' energy: -20.148
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -20.004
Dist. restrs. and SS energy: 2.204 (S_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: 83
Temperature: 1.300000
Total energy: -229.451287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.451287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.844604 (E_RNA)
where:
Base-Base interactions energy: -152.593
where: short stacking energy: -68.913
Base-Backbone interact. energy: -0.233
local terms energy: -81.018623
where:
bonds (distance) C4'-P energy: -21.707
bonds (distance) P-C4' energy: -18.219
flat angles C4'-P-C4' energy: -19.116
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -12.599
Dist. restrs. and SS energy: 4.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -209.539157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.539157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.881086 (E_RNA)
where:
Base-Base interactions energy: -148.220
where: short stacking energy: -60.931
Base-Backbone interact. energy: 0.842
local terms energy: -66.503025
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -8.262
Dist. restrs. and SS energy: 4.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -366.118611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.118611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.366062 (E_RNA)
where:
Base-Base interactions energy: -258.374
where: short stacking energy: -98.895
Base-Backbone interact. energy: 1.278
local terms energy: -109.269588
where:
bonds (distance) C4'-P energy: -23.003
bonds (distance) P-C4' energy: -23.415
flat angles C4'-P-C4' energy: -21.819
flat angles P-C4'-P energy: -14.533
tors. eta vs tors. theta energy: -26.500
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: 2, replica: 4
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -351.518308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.518308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.843838 (E_RNA)
where:
Base-Base interactions energy: -254.865
where: short stacking energy: -95.771
Base-Backbone interact. energy: -0.630
local terms energy: -97.348461
where:
bonds (distance) C4'-P energy: -21.009
bonds (distance) P-C4' energy: -23.080
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -26.896
Dist. restrs. and SS energy: 1.326 (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: 10
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -357.717722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.717722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.195770 (E_RNA)
where:
Base-Base interactions energy: -256.155
where: short stacking energy: -91.578
Base-Backbone interact. energy: -0.383
local terms energy: -102.657743
where:
bonds (distance) C4'-P energy: -21.675
bonds (distance) P-C4' energy: -20.561
flat angles C4'-P-C4' energy: -19.270
flat angles P-C4'-P energy: -15.072
tors. eta vs tors. theta energy: -26.079
Dist. restrs. and SS energy: 1.478 (S_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: 84
Temperature: 1.050000
Total energy: -347.580679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.580679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.673567 (E_RNA)
where:
Base-Base interactions energy: -243.099
where: short stacking energy: -98.221
Base-Backbone interact. energy: -1.355
local terms energy: -105.219865
where:
bonds (distance) C4'-P energy: -19.582
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -22.463
flat angles P-C4'-P energy: -18.126
tors. eta vs tors. theta energy: -27.717
Dist. restrs. and SS energy: 2.093 (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: 8
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -313.192423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.192423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.412722 (E_RNA)
where:
Base-Base interactions energy: -204.846
where: short stacking energy: -74.944
Base-Backbone interact. energy: -0.440
local terms energy: -110.127155
where:
bonds (distance) C4'-P energy: -23.878
bonds (distance) P-C4' energy: -24.701
flat angles C4'-P-C4' energy: -23.641
flat angles P-C4'-P energy: -15.968
tors. eta vs tors. theta energy: -21.938
Dist. restrs. and SS energy: 2.220 (S_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: 84
Temperature: 1.150000
Total energy: -320.457149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.457149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.826197 (E_RNA)
where:
Base-Base interactions energy: -230.038
where: short stacking energy: -94.509
Base-Backbone interact. energy: 1.193
local terms energy: -92.981374
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -18.313
flat angles C4'-P-C4' energy: -20.252
flat angles P-C4'-P energy: -16.793
tors. eta vs tors. theta energy: -20.820
Dist. restrs. and SS energy: 1.369 (S_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: 84
Temperature: 1.200000
Total energy: -261.601031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.601031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.765021 (E_RNA)
where:
Base-Base interactions energy: -174.583
where: short stacking energy: -74.892
Base-Backbone interact. energy: 0.423
local terms energy: -91.605294
where:
bonds (distance) C4'-P energy: -17.732
bonds (distance) P-C4' energy: -22.167
flat angles C4'-P-C4' energy: -21.717
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -18.856
Dist. restrs. and SS energy: 4.164 (S_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: -262.335528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.335528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.131251 (E_RNA)
where:
Base-Base interactions energy: -183.606
where: short stacking energy: -61.350
Base-Backbone interact. energy: 0.011
local terms energy: -81.535792
where:
bonds (distance) C4'-P energy: -18.614
bonds (distance) P-C4' energy: -18.410
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -16.832
Dist. restrs. and SS energy: 2.796 (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: 7
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -224.601517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.601517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.240429 (E_RNA)
where:
Base-Base interactions energy: -135.024
where: short stacking energy: -58.852
Base-Backbone interact. energy: -1.065
local terms energy: -89.150923
where:
bonds (distance) C4'-P energy: -19.471
bonds (distance) P-C4' energy: -24.057
flat angles C4'-P-C4' energy: -23.655
flat angles P-C4'-P energy: -13.588
tors. eta vs tors. theta energy: -8.380
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: 10, replica: 6
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -212.439304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.439304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.599814 (E_RNA)
where:
Base-Base interactions energy: -138.146
where: short stacking energy: -53.093
Base-Backbone interact. energy: -0.557
local terms energy: -77.897057
where:
bonds (distance) C4'-P energy: -19.055
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -16.353
tors. eta vs tors. theta energy: -11.221
Dist. restrs. and SS energy: 4.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -372.923551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.923551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.680482 (E_RNA)
where:
Base-Base interactions energy: -263.502
where: short stacking energy: -93.186
Base-Backbone interact. energy: 1.105
local terms energy: -111.283055
where:
bonds (distance) C4'-P energy: -23.178
bonds (distance) P-C4' energy: -22.646
flat angles C4'-P-C4' energy: -20.949
flat angles P-C4'-P energy: -17.482
tors. eta vs tors. theta energy: -27.027
Dist. restrs. and SS energy: 0.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -357.243003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.243003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.455483 (E_RNA)
where:
Base-Base interactions energy: -247.987
where: short stacking energy: -83.077
Base-Backbone interact. energy: -1.742
local terms energy: -108.726134
where:
bonds (distance) C4'-P energy: -23.463
bonds (distance) P-C4' energy: -21.554
flat angles C4'-P-C4' energy: -24.533
flat angles P-C4'-P energy: -17.374
tors. eta vs tors. theta energy: -21.802
Dist. restrs. and SS energy: 1.212 (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: 4
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -346.351830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.351830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.973008 (E_RNA)
where:
Base-Base interactions energy: -233.875
where: short stacking energy: -90.065
Base-Backbone interact. energy: -1.889
local terms energy: -112.208962
where:
bonds (distance) C4'-P energy: -22.835
bonds (distance) P-C4' energy: -20.464
flat angles C4'-P-C4' energy: -24.092
flat angles P-C4'-P energy: -18.856
tors. eta vs tors. theta energy: -25.963
Dist. restrs. and SS energy: 1.621 (S_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: 85
Temperature: 1.050000
Total energy: -352.553196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.553196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.076980 (E_RNA)
where:
Base-Base interactions energy: -247.280
where: short stacking energy: -97.326
Base-Backbone interact. energy: 0.498
local terms energy: -106.295346
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -22.586
flat angles C4'-P-C4' energy: -23.539
flat angles P-C4'-P energy: -17.250
tors. eta vs tors. theta energy: -25.910
Dist. restrs. and SS energy: 0.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -284.150361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.150361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.539268 (E_RNA)
where:
Base-Base interactions energy: -194.407
where: short stacking energy: -70.684
Base-Backbone interact. energy: -0.113
local terms energy: -91.019308
where:
bonds (distance) C4'-P energy: -22.465
bonds (distance) P-C4' energy: -23.074
flat angles C4'-P-C4' energy: -18.889
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -15.642
Dist. restrs. and SS energy: 1.389 (S_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: 85
Temperature: 1.150000
Total energy: -321.842599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.842599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.340580 (E_RNA)
where:
Base-Base interactions energy: -215.414
where: short stacking energy: -88.735
Base-Backbone interact. energy: 1.050
local terms energy: -108.976297
where:
bonds (distance) C4'-P energy: -22.002
bonds (distance) P-C4' energy: -24.526
flat angles C4'-P-C4' energy: -26.212
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -27.938
Dist. restrs. and SS energy: 1.498 (S_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: 85
Temperature: 1.200000
Total energy: -293.781939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.781939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.429157 (E_RNA)
where:
Base-Base interactions energy: -205.605
where: short stacking energy: -91.495
Base-Backbone interact. energy: -0.390
local terms energy: -90.434297
where:
bonds (distance) C4'-P energy: -21.547
bonds (distance) P-C4' energy: -16.239
flat angles C4'-P-C4' energy: -22.845
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -19.337
Dist. restrs. and SS energy: 2.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -252.486589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.486589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.201601 (E_RNA)
where:
Base-Base interactions energy: -154.821
where: short stacking energy: -61.258
Base-Backbone interact. energy: -0.291
local terms energy: -98.090113
where:
bonds (distance) C4'-P energy: -19.896
bonds (distance) P-C4' energy: -23.389
flat angles C4'-P-C4' energy: -23.662
flat angles P-C4'-P energy: -14.115
tors. eta vs tors. theta energy: -17.028
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: 9, replica: 7
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -213.063308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.063308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.636566 (E_RNA)
where:
Base-Base interactions energy: -137.958
where: short stacking energy: -54.549
Base-Backbone interact. energy: -1.507
local terms energy: -77.171530
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -19.562
flat angles P-C4'-P energy: -17.597
tors. eta vs tors. theta energy: -1.399
Dist. restrs. and SS energy: 3.573 (S_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: 85
Temperature: 1.350000
Total energy: -238.405744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.405744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.390655 (E_RNA)
where:
Base-Base interactions energy: -155.712
where: short stacking energy: -79.699
Base-Backbone interact. energy: 0.283
local terms energy: -84.961624
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -21.226
flat angles C4'-P-C4' energy: -21.225
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -15.175
Dist. restrs. and SS energy: 1.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -366.029735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.029735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.176046 (E_RNA)
where:
Base-Base interactions energy: -253.119
where: short stacking energy: -94.247
Base-Backbone interact. energy: -0.799
local terms energy: -112.258316
where:
bonds (distance) C4'-P energy: -21.459
bonds (distance) P-C4' energy: -26.495
flat angles C4'-P-C4' energy: -21.912
flat angles P-C4'-P energy: -16.860
tors. eta vs tors. theta energy: -25.532
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: 10
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -359.211473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.211473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.362174 (E_RNA)
where:
Base-Base interactions energy: -254.776
where: short stacking energy: -94.774
Base-Backbone interact. energy: -0.780
local terms energy: -104.806687
where:
bonds (distance) C4'-P energy: -20.787
bonds (distance) P-C4' energy: -23.288
flat angles C4'-P-C4' energy: -20.296
flat angles P-C4'-P energy: -16.616
tors. eta vs tors. theta energy: -23.820
Dist. restrs. and SS energy: 1.151 (S_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: 86
Temperature: 1.000000
Total energy: -352.786107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.786107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.643580 (E_RNA)
where:
Base-Base interactions energy: -245.806
where: short stacking energy: -94.950
Base-Backbone interact. energy: -0.628
local terms energy: -107.209102
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -25.503
flat angles P-C4'-P energy: -17.003
tors. eta vs tors. theta energy: -31.272
Dist. restrs. and SS energy: 0.857 (S_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: 86
Temperature: 1.050000
Total energy: -337.109182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.109182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.213455 (E_RNA)
where:
Base-Base interactions energy: -234.906
where: short stacking energy: -89.357
Base-Backbone interact. energy: -0.635
local terms energy: -102.673158
where:
bonds (distance) C4'-P energy: -20.262
bonds (distance) P-C4' energy: -21.156
flat angles C4'-P-C4' energy: -20.125
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -29.000
Dist. restrs. and SS energy: 1.104 (S_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: 86
Temperature: 1.100000
Total energy: -348.055475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.055475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.030338 (E_RNA)
where:
Base-Base interactions energy: -237.217
where: short stacking energy: -95.895
Base-Backbone interact. energy: -0.921
local terms energy: -110.892846
where:
bonds (distance) C4'-P energy: -18.931
bonds (distance) P-C4' energy: -22.176
flat angles C4'-P-C4' energy: -20.610
flat angles P-C4'-P energy: -19.638
tors. eta vs tors. theta energy: -29.538
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: 8
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -317.348114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.348114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.045563 (E_RNA)
where:
Base-Base interactions energy: -212.536
where: short stacking energy: -86.980
Base-Backbone interact. energy: -1.200
local terms energy: -105.309154
where:
bonds (distance) C4'-P energy: -23.420
bonds (distance) P-C4' energy: -25.610
flat angles C4'-P-C4' energy: -20.278
flat angles P-C4'-P energy: -13.901
tors. eta vs tors. theta energy: -22.101
Dist. restrs. and SS energy: 1.697 (S_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: 86
Temperature: 1.200000
Total energy: -284.150274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.150274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.716761 (E_RNA)
where:
Base-Base interactions energy: -190.896
where: short stacking energy: -84.679
Base-Backbone interact. energy: -0.759
local terms energy: -93.061420
where:
bonds (distance) C4'-P energy: -20.065
bonds (distance) P-C4' energy: -18.367
flat angles C4'-P-C4' energy: -21.358
flat angles P-C4'-P energy: -13.194
tors. eta vs tors. theta energy: -20.078
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: 8, replica: 5
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -236.794739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.794739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.005888 (E_RNA)
where:
Base-Base interactions energy: -173.804
where: short stacking energy: -58.741
Base-Backbone interact. energy: -0.324
local terms energy: -65.877614
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -18.321
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -4.012
tors. eta vs tors. theta energy: -9.930
Dist. restrs. and SS energy: 3.211 (S_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: 86
Temperature: 1.300000
Total energy: -243.633904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.633904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.154636 (E_RNA)
where:
Base-Base interactions energy: -147.286
where: short stacking energy: -67.269
Base-Backbone interact. energy: 0.083
local terms energy: -101.951734
where:
bonds (distance) C4'-P energy: -25.186
bonds (distance) P-C4' energy: -23.341
flat angles C4'-P-C4' energy: -22.171
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -19.604
Dist. restrs. and SS energy: 5.521 (S_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: 86
Temperature: 1.350000
Total energy: -224.708746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.708746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.438802 (E_RNA)
where:
Base-Base interactions energy: -137.037
where: short stacking energy: -66.372
Base-Backbone interact. energy: -0.530
local terms energy: -88.871652
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -22.975
flat angles C4'-P-C4' energy: -22.671
flat angles P-C4'-P energy: -13.612
tors. eta vs tors. theta energy: -13.904
Dist. restrs. and SS energy: 1.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -368.798527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.798527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.423447 (E_RNA)
where:
Base-Base interactions energy: -250.683
where: short stacking energy: -91.917
Base-Backbone interact. energy: -1.102
local terms energy: -117.637978
where:
bonds (distance) C4'-P energy: -23.274
bonds (distance) P-C4' energy: -27.276
flat angles C4'-P-C4' energy: -24.987
flat angles P-C4'-P energy: -14.863
tors. eta vs tors. theta energy: -27.237
Dist. restrs. and SS energy: 0.625 (S_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: 87
Temperature: 0.950000
Total energy: -362.104330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.104330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.112261 (E_RNA)
where:
Base-Base interactions energy: -245.728
where: short stacking energy: -102.424
Base-Backbone interact. energy: -0.780
local terms energy: -116.604628
where:
bonds (distance) C4'-P energy: -25.177
bonds (distance) P-C4' energy: -26.115
flat angles C4'-P-C4' energy: -23.246
flat angles P-C4'-P energy: -14.410
tors. eta vs tors. theta energy: -27.655
Dist. restrs. and SS energy: 1.008 (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: 10
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -341.662762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.662762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.579833 (E_RNA)
where:
Base-Base interactions energy: -241.139
where: short stacking energy: -81.536
Base-Backbone interact. energy: -0.276
local terms energy: -102.164529
where:
bonds (distance) C4'-P energy: -21.642
bonds (distance) P-C4' energy: -20.698
flat angles C4'-P-C4' energy: -24.141
flat angles P-C4'-P energy: -14.842
tors. eta vs tors. theta energy: -20.842
Dist. restrs. and SS energy: 1.917 (S_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: 87
Temperature: 1.050000
Total energy: -342.433399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.433399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.119717 (E_RNA)
where:
Base-Base interactions energy: -239.062
where: short stacking energy: -97.514
Base-Backbone interact. energy: -0.821
local terms energy: -103.236534
where:
bonds (distance) C4'-P energy: -22.902
bonds (distance) P-C4' energy: -23.637
flat angles C4'-P-C4' energy: -20.850
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -27.353
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: 5, replica: 9
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -327.531440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.531440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.868843 (E_RNA)
where:
Base-Base interactions energy: -229.639
where: short stacking energy: -84.160
Base-Backbone interact. energy: -0.874
local terms energy: -98.355303
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -21.352
flat angles C4'-P-C4' energy: -26.066
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -23.375
Dist. restrs. and SS energy: 1.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -300.961860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.961860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.437538 (E_RNA)
where:
Base-Base interactions energy: -199.454
where: short stacking energy: -80.612
Base-Backbone interact. energy: -0.827
local terms energy: -102.156325
where:
bonds (distance) C4'-P energy: -20.546
bonds (distance) P-C4' energy: -20.223
flat angles C4'-P-C4' energy: -21.945
flat angles P-C4'-P energy: -17.337
tors. eta vs tors. theta energy: -22.106
Dist. restrs. and SS energy: 1.476 (S_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: 87
Temperature: 1.200000
Total energy: -275.523460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.523460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.730358 (E_RNA)
where:
Base-Base interactions energy: -175.938
where: short stacking energy: -67.953
Base-Backbone interact. energy: -1.013
local terms energy: -99.780036
where:
bonds (distance) C4'-P energy: -26.607
bonds (distance) P-C4' energy: -24.320
flat angles C4'-P-C4' energy: -20.265
flat angles P-C4'-P energy: -13.674
tors. eta vs tors. theta energy: -14.915
Dist. restrs. and SS energy: 1.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -265.020302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.020302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.462211 (E_RNA)
where:
Base-Base interactions energy: -182.411
where: short stacking energy: -75.246
Base-Backbone interact. energy: -0.741
local terms energy: -83.309565
where:
bonds (distance) C4'-P energy: -17.119
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -19.579
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -13.697
Dist. restrs. and SS energy: 1.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -237.583019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.583019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.557216 (E_RNA)
where:
Base-Base interactions energy: -151.759
where: short stacking energy: -64.607
Base-Backbone interact. energy: -2.108
local terms energy: -87.689680
where:
bonds (distance) C4'-P energy: -21.159
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -19.272
flat angles P-C4'-P energy: -15.831
tors. eta vs tors. theta energy: -16.258
Dist. restrs. and SS energy: 3.974 (S_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: 87
Temperature: 1.350000
Total energy: -213.637774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.637774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.132111 (E_RNA)
where:
Base-Base interactions energy: -144.994
where: short stacking energy: -44.272
Base-Backbone interact. energy: -0.836
local terms energy: -72.301926
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -20.904
flat angles P-C4'-P energy: -13.912
tors. eta vs tors. theta energy: -7.416
Dist. restrs. and SS energy: 4.494 (S_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: 88
Temperature: 0.900000
Total energy: -366.392683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.392683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.558081 (E_RNA)
where:
Base-Base interactions energy: -258.068
where: short stacking energy: -102.242
Base-Backbone interact. energy: -0.692
local terms energy: -108.798242
where:
bonds (distance) C4'-P energy: -20.446
bonds (distance) P-C4' energy: -24.472
flat angles C4'-P-C4' energy: -26.162
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -26.315
Dist. restrs. and SS energy: 1.165 (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: 3
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -361.475248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.475248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.179712 (E_RNA)
where:
Base-Base interactions energy: -247.495
where: short stacking energy: -101.491
Base-Backbone interact. energy: -2.054
local terms energy: -113.630008
where:
bonds (distance) C4'-P energy: -24.582
bonds (distance) P-C4' energy: -22.626
flat angles C4'-P-C4' energy: -20.794
flat angles P-C4'-P energy: -18.114
tors. eta vs tors. theta energy: -27.514
Dist. restrs. and SS energy: 1.704 (S_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: 88
Temperature: 1.000000
Total energy: -333.203621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.203621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.382903 (E_RNA)
where:
Base-Base interactions energy: -234.802
where: short stacking energy: -92.415
Base-Backbone interact. energy: -0.094
local terms energy: -99.486377
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -20.995
flat angles C4'-P-C4' energy: -18.953
flat angles P-C4'-P energy: -20.494
tors. eta vs tors. theta energy: -21.716
Dist. restrs. and SS energy: 1.179 (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: 2
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -360.266133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.266133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.586646 (E_RNA)
where:
Base-Base interactions energy: -248.074
where: short stacking energy: -94.549
Base-Backbone interact. energy: -0.957
local terms energy: -111.555261
where:
bonds (distance) C4'-P energy: -22.383
bonds (distance) P-C4' energy: -21.346
flat angles C4'-P-C4' energy: -22.680
flat angles P-C4'-P energy: -15.415
tors. eta vs tors. theta energy: -29.731
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: 1
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -302.962657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.962657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.108441 (E_RNA)
where:
Base-Base interactions energy: -205.069
where: short stacking energy: -84.540
Base-Backbone interact. energy: -0.339
local terms energy: -101.700641
where:
bonds (distance) C4'-P energy: -23.137
bonds (distance) P-C4' energy: -22.165
flat angles C4'-P-C4' energy: -19.799
flat angles P-C4'-P energy: -17.064
tors. eta vs tors. theta energy: -19.535
Dist. restrs. and SS energy: 4.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -301.404333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.404333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.592320 (E_RNA)
where:
Base-Base interactions energy: -208.995
where: short stacking energy: -72.283
Base-Backbone interact. energy: -0.440
local terms energy: -93.157208
where:
bonds (distance) C4'-P energy: -21.210
bonds (distance) P-C4' energy: -24.321
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -17.195
tors. eta vs tors. theta energy: -16.221
Dist. restrs. and SS energy: 1.188 (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: 88
Temperature: 1.200000
Total energy: -250.897798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.897798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.001719 (E_RNA)
where:
Base-Base interactions energy: -160.544
where: short stacking energy: -77.785
Base-Backbone interact. energy: -0.648
local terms energy: -96.810011
where:
bonds (distance) C4'-P energy: -16.580
bonds (distance) P-C4' energy: -22.052
flat angles C4'-P-C4' energy: -23.950
flat angles P-C4'-P energy: -18.203
tors. eta vs tors. theta energy: -16.024
Dist. restrs. and SS energy: 7.104 (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: 8
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -264.494426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.494426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.577694 (E_RNA)
where:
Base-Base interactions energy: -170.164
where: short stacking energy: -76.848
Base-Backbone interact. energy: -0.857
local terms energy: -97.556517
where:
bonds (distance) C4'-P energy: -17.346
bonds (distance) P-C4' energy: -24.572
flat angles C4'-P-C4' energy: -19.731
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -23.134
Dist. restrs. and SS energy: 4.083 (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: 7
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -239.823889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.823889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.811793 (E_RNA)
where:
Base-Base interactions energy: -163.062
where: short stacking energy: -61.713
Base-Backbone interact. energy: 1.330
local terms energy: -80.079618
where:
bonds (distance) C4'-P energy: -19.489
bonds (distance) P-C4' energy: -20.288
flat angles C4'-P-C4' energy: -18.968
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: -8.895
Dist. restrs. and SS energy: 1.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -232.130786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.130786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.670895 (E_RNA)
where:
Base-Base interactions energy: -161.231
where: short stacking energy: -71.085
Base-Backbone interact. energy: -1.377
local terms energy: -75.062557
where:
bonds (distance) C4'-P energy: -20.678
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -21.048
flat angles P-C4'-P energy: -6.052
tors. eta vs tors. theta energy: -14.053
Dist. restrs. and SS energy: 5.540 (S_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: 89
Temperature: 0.900000
Total energy: -358.471608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.471608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.011808 (E_RNA)
where:
Base-Base interactions energy: -244.303
where: short stacking energy: -94.995
Base-Backbone interact. energy: -0.940
local terms energy: -114.767941
where:
bonds (distance) C4'-P energy: -20.778
bonds (distance) P-C4' energy: -23.593
flat angles C4'-P-C4' energy: -25.629
flat angles P-C4'-P energy: -18.625
tors. eta vs tors. theta energy: -26.142
Dist. restrs. and SS energy: 1.540 (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: 3
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -365.933705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.933705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.636553 (E_RNA)
where:
Base-Base interactions energy: -252.951
where: short stacking energy: -94.962
Base-Backbone interact. energy: 0.492
local terms energy: -114.177916
where:
bonds (distance) C4'-P energy: -21.476
bonds (distance) P-C4' energy: -24.627
flat angles C4'-P-C4' energy: -23.937
flat angles P-C4'-P energy: -15.574
tors. eta vs tors. theta energy: -28.564
Dist. restrs. and SS energy: 0.703 (S_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: 89
Temperature: 1.000000
Total energy: -353.805230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.805230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.536891 (E_RNA)
where:
Base-Base interactions energy: -247.560
where: short stacking energy: -91.170
Base-Backbone interact. energy: -0.623
local terms energy: -106.353779
where:
bonds (distance) C4'-P energy: -21.249
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -19.979
flat angles P-C4'-P energy: -15.599
tors. eta vs tors. theta energy: -30.035
Dist. restrs. and SS energy: 0.732 (S_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: 89
Temperature: 1.050000
Total energy: -344.561562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.561562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.420857 (E_RNA)
where:
Base-Base interactions energy: -243.491
where: short stacking energy: -97.209
Base-Backbone interact. energy: -0.543
local terms energy: -101.387143
where:
bonds (distance) C4'-P energy: -20.203
bonds (distance) P-C4' energy: -18.198
flat angles C4'-P-C4' energy: -21.048
flat angles P-C4'-P energy: -14.297
tors. eta vs tors. theta energy: -27.641
Dist. restrs. and SS energy: 0.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -289.224733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.224733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.460525 (E_RNA)
where:
Base-Base interactions energy: -203.348
where: short stacking energy: -73.086
Base-Backbone interact. energy: -2.043
local terms energy: -85.069354
where:
bonds (distance) C4'-P energy: -21.800
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -21.986
flat angles P-C4'-P energy: -16.001
tors. eta vs tors. theta energy: -12.348
Dist. restrs. and SS energy: 1.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -327.314172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.314172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.715998 (E_RNA)
where:
Base-Base interactions energy: -225.935
where: short stacking energy: -86.849
Base-Backbone interact. energy: -1.178
local terms energy: -101.602708
where:
bonds (distance) C4'-P energy: -18.421
bonds (distance) P-C4' energy: -22.700
flat angles C4'-P-C4' energy: -23.983
flat angles P-C4'-P energy: -17.292
tors. eta vs tors. theta energy: -19.207
Dist. restrs. and SS energy: 1.402 (S_DIST_RNA)
chem. 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: -276.026438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.026438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.512434 (E_RNA)
where:
Base-Base interactions energy: -190.253
where: short stacking energy: -75.441
Base-Backbone interact. energy: -0.389
local terms energy: -86.870780
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -18.323
flat angles C4'-P-C4' energy: -27.036
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -14.936
Dist. restrs. and SS energy: 1.486 (S_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: 89
Temperature: 1.250000
Total energy: -278.622233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.622233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.416956 (E_RNA)
where:
Base-Base interactions energy: -190.397
where: short stacking energy: -85.414
Base-Backbone interact. energy: -0.065
local terms energy: -92.955505
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -21.955
flat angles C4'-P-C4' energy: -21.270
flat angles P-C4'-P energy: -14.129
tors. eta vs tors. theta energy: -19.417
Dist. restrs. and SS energy: 4.795 (S_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: 89
Temperature: 1.300000
Total energy: -211.108879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.108879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.940951 (E_RNA)
where:
Base-Base interactions energy: -144.668
where: short stacking energy: -64.366
Base-Backbone interact. energy: 1.085
local terms energy: -69.357835
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -16.707
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -14.923
tors. eta vs tors. theta energy: -6.925
Dist. restrs. and SS energy: 1.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -251.795567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.795567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.686906 (E_RNA)
where:
Base-Base interactions energy: -171.971
where: short stacking energy: -69.790
Base-Backbone interact. energy: -0.482
local terms energy: -81.234227
where:
bonds (distance) C4'-P energy: -21.614
bonds (distance) P-C4' energy: -19.698
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -11.100
Dist. restrs. and SS energy: 1.891 (S_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: 90
Temperature: 0.900000
Total energy: -359.530437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.530437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.680203 (E_RNA)
where:
Base-Base interactions energy: -242.763
where: short stacking energy: -93.935
Base-Backbone interact. energy: -0.985
local terms energy: -115.931908
where:
bonds (distance) C4'-P energy: -23.146
bonds (distance) P-C4' energy: -23.936
flat angles C4'-P-C4' energy: -25.564
flat angles P-C4'-P energy: -15.580
tors. eta vs tors. theta energy: -27.706
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: 2, replica: 3
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -364.767207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.767207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.589976 (E_RNA)
where:
Base-Base interactions energy: -252.955
where: short stacking energy: -101.550
Base-Backbone interact. energy: -0.796
local terms energy: -112.838756
where:
bonds (distance) C4'-P energy: -21.042
bonds (distance) P-C4' energy: -20.951
flat angles C4'-P-C4' energy: -22.276
flat angles P-C4'-P energy: -18.433
tors. eta vs tors. theta energy: -30.136
Dist. restrs. and SS energy: 1.823 (S_DIST_RNA)
chem. 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: -353.204352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.204352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.947333 (E_RNA)
where:
Base-Base interactions energy: -253.003
where: short stacking energy: -100.016
Base-Backbone interact. energy: -2.059
local terms energy: -99.885684
where:
bonds (distance) C4'-P energy: -22.608
bonds (distance) P-C4' energy: -18.527
flat angles C4'-P-C4' energy: -20.252
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -27.338
Dist. restrs. and SS energy: 1.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -357.752077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.752077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.934690 (E_RNA)
where:
Base-Base interactions energy: -252.434
where: short stacking energy: -103.479
Base-Backbone interact. energy: -0.890
local terms energy: -106.610282
where:
bonds (distance) C4'-P energy: -21.415
bonds (distance) P-C4' energy: -20.562
flat angles C4'-P-C4' energy: -21.162
flat angles P-C4'-P energy: -14.725
tors. eta vs tors. theta energy: -28.747
Dist. restrs. and SS energy: 2.183 (S_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: 90
Temperature: 1.100000
Total energy: -332.620065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.620065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.390507 (E_RNA)
where:
Base-Base interactions energy: -235.063
where: short stacking energy: -87.636
Base-Backbone interact. energy: -1.144
local terms energy: -97.183455
where:
bonds (distance) C4'-P energy: -25.218
bonds (distance) P-C4' energy: -20.334
flat angles C4'-P-C4' energy: -18.733
flat angles P-C4'-P energy: -13.121
tors. eta vs tors. theta energy: -19.778
Dist. restrs. and SS energy: 0.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -276.034048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.034048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.824959 (E_RNA)
where:
Base-Base interactions energy: -191.535
where: short stacking energy: -83.030
Base-Backbone interact. energy: -0.412
local terms energy: -88.877840
where:
bonds (distance) C4'-P energy: -18.430
bonds (distance) P-C4' energy: -19.303
flat angles C4'-P-C4' energy: -20.218
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -20.931
Dist. restrs. and SS energy: 4.791 (S_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: 90
Temperature: 1.200000
Total energy: -287.749303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.749303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.031376 (E_RNA)
where:
Base-Base interactions energy: -196.732
where: short stacking energy: -85.241
Base-Backbone interact. energy: -0.219
local terms energy: -95.080210
where:
bonds (distance) C4'-P energy: -19.411
bonds (distance) P-C4' energy: -17.841
flat angles C4'-P-C4' energy: -20.634
flat angles P-C4'-P energy: -16.075
tors. eta vs tors. theta energy: -21.119
Dist. restrs. and SS energy: 4.282 (S_DIST_RNA)
chem. 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: -226.158907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.158907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.139374 (E_RNA)
where:
Base-Base interactions energy: -157.164
where: short stacking energy: -62.670
Base-Backbone interact. energy: -0.806
local terms energy: -73.169216
where:
bonds (distance) C4'-P energy: -19.445
bonds (distance) P-C4' energy: -8.001
flat angles C4'-P-C4' energy: -21.540
flat angles P-C4'-P energy: -16.771
tors. eta vs tors. theta energy: -7.413
Dist. restrs. and SS energy: 4.980 (S_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: 90
Temperature: 1.300000
Total energy: -233.098312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.098312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.961636 (E_RNA)
where:
Base-Base interactions energy: -155.031
where: short stacking energy: -65.849
Base-Backbone interact. energy: -0.336
local terms energy: -78.594576
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -23.576
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -12.395
Dist. restrs. and SS energy: 0.863 (S_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: 90
Temperature: 1.350000
Total energy: -228.951237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.951237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.952238 (E_RNA)
where:
Base-Base interactions energy: -149.233
where: short stacking energy: -57.949
Base-Backbone interact. energy: -0.525
local terms energy: -81.193993
where:
bonds (distance) C4'-P energy: -23.599
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -14.637
tors. eta vs tors. theta energy: -12.309
Dist. restrs. and SS energy: 2.001 (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: 4
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -369.423070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.423070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.837878 (E_RNA)
where:
Base-Base interactions energy: -263.331
where: short stacking energy: -100.949
Base-Backbone interact. energy: -0.682
local terms energy: -105.824662
where:
bonds (distance) C4'-P energy: -16.986
bonds (distance) P-C4' energy: -23.728
flat angles C4'-P-C4' energy: -21.412
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -29.266
Dist. restrs. and SS energy: 0.415 (S_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: -359.695369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.695369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.760792 (E_RNA)
where:
Base-Base interactions energy: -248.198
where: short stacking energy: -99.587
Base-Backbone interact. energy: -0.582
local terms energy: -111.981023
where:
bonds (distance) C4'-P energy: -22.173
bonds (distance) P-C4' energy: -23.686
flat angles C4'-P-C4' energy: -23.179
flat angles P-C4'-P energy: -18.658
tors. eta vs tors. theta energy: -24.285
Dist. restrs. and SS energy: 1.065 (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: 91
Temperature: 1.000000
Total energy: -364.332299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.332299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.097013 (E_RNA)
where:
Base-Base interactions energy: -246.986
where: short stacking energy: -98.722
Base-Backbone interact. energy: 0.866
local terms energy: -118.976214
where:
bonds (distance) C4'-P energy: -22.993
bonds (distance) P-C4' energy: -26.143
flat angles C4'-P-C4' energy: -22.912
flat angles P-C4'-P energy: -17.617
tors. eta vs tors. theta energy: -29.312
Dist. restrs. and SS energy: 0.765 (S_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: 91
Temperature: 1.050000
Total energy: -349.588429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.588429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.247139 (E_RNA)
where:
Base-Base interactions energy: -235.824
where: short stacking energy: -84.421
Base-Backbone interact. energy: 2.526
local terms energy: -116.949434
where:
bonds (distance) C4'-P energy: -24.425
bonds (distance) P-C4' energy: -23.628
flat angles C4'-P-C4' energy: -21.711
flat angles P-C4'-P energy: -16.896
tors. eta vs tors. theta energy: -30.289
Dist. restrs. and SS energy: 0.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -350.578667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.578667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.500138 (E_RNA)
where:
Base-Base interactions energy: -254.290
where: short stacking energy: -86.930
Base-Backbone interact. energy: -0.651
local terms energy: -96.558804
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -20.304
flat angles C4'-P-C4' energy: -23.554
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -22.978
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: 6, replica: 1
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -312.534019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.534019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.803156 (E_RNA)
where:
Base-Base interactions energy: -213.033
where: short stacking energy: -93.462
Base-Backbone interact. energy: -0.216
local terms energy: -100.553594
where:
bonds (distance) C4'-P energy: -18.369
bonds (distance) P-C4' energy: -23.640
flat angles C4'-P-C4' energy: -19.990
flat angles P-C4'-P energy: -15.435
tors. eta vs tors. theta energy: -23.118
Dist. restrs. and SS energy: 1.269 (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: 91
Temperature: 1.200000
Total energy: -269.786737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.786737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.946141 (E_RNA)
where:
Base-Base interactions energy: -194.604
where: short stacking energy: -75.678
Base-Backbone interact. energy: 0.372
local terms energy: -76.713539
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -20.873
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -15.365
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: 8, replica: 5
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -241.666611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.666611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.509771 (E_RNA)
where:
Base-Base interactions energy: -157.384
where: short stacking energy: -72.261
Base-Backbone interact. energy: -0.630
local terms energy: -86.496651
where:
bonds (distance) C4'-P energy: -16.174
bonds (distance) P-C4' energy: -19.866
flat angles C4'-P-C4' energy: -20.602
flat angles P-C4'-P energy: -16.087
tors. eta vs tors. theta energy: -13.769
Dist. restrs. and SS energy: 2.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -230.369221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.369221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.749091 (E_RNA)
where:
Base-Base interactions energy: -148.074
where: short stacking energy: -65.768
Base-Backbone interact. energy: -0.139
local terms energy: -86.536137
where:
bonds (distance) C4'-P energy: -21.991
bonds (distance) P-C4' energy: -17.832
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -14.371
tors. eta vs tors. theta energy: -18.017
Dist. restrs. and SS energy: 4.380 (S_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: 91
Temperature: 1.350000
Total energy: -219.535559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.535559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.483821 (E_RNA)
where:
Base-Base interactions energy: -158.487
where: short stacking energy: -64.893
Base-Backbone interact. energy: -1.366
local terms energy: -67.631236
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -12.987
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -13.681
Dist. restrs. and SS energy: 7.948 (S_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: 92
Temperature: 0.900000
Total energy: -364.351863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.351863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.475932 (E_RNA)
where:
Base-Base interactions energy: -255.883
where: short stacking energy: -91.612
Base-Backbone interact. energy: -0.862
local terms energy: -107.730426
where:
bonds (distance) C4'-P energy: -20.546
bonds (distance) P-C4' energy: -22.440
flat angles C4'-P-C4' energy: -26.358
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -27.421
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: 2
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -367.070502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.070502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.474239 (E_RNA)
where:
Base-Base interactions energy: -252.149
where: short stacking energy: -102.370
Base-Backbone interact. energy: -1.059
local terms energy: -115.266547
where:
bonds (distance) C4'-P energy: -24.913
bonds (distance) P-C4' energy: -19.040
flat angles C4'-P-C4' energy: -24.689
flat angles P-C4'-P energy: -15.330
tors. eta vs tors. theta energy: -31.294
Dist. restrs. and SS energy: 1.404 (S_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: -354.297733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.297733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.794505 (E_RNA)
where:
Base-Base interactions energy: -247.158
where: short stacking energy: -95.591
Base-Backbone interact. energy: -1.604
local terms energy: -107.032237
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -22.706
flat angles C4'-P-C4' energy: -25.875
flat angles P-C4'-P energy: -14.581
tors. eta vs tors. theta energy: -26.295
Dist. restrs. and SS energy: 1.497 (S_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: 92
Temperature: 1.050000
Total energy: -344.142249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.142249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.021771 (E_RNA)
where:
Base-Base interactions energy: -230.105
where: short stacking energy: -94.943
Base-Backbone interact. energy: -0.428
local terms energy: -114.488928
where:
bonds (distance) C4'-P energy: -22.923
bonds (distance) P-C4' energy: -24.491
flat angles C4'-P-C4' energy: -23.029
flat angles P-C4'-P energy: -16.299
tors. eta vs tors. theta energy: -27.747
Dist. restrs. and SS energy: 0.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -294.858170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.858170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.517923 (E_RNA)
where:
Base-Base interactions energy: -203.304
where: short stacking energy: -79.815
Base-Backbone interact. energy: -1.055
local terms energy: -91.158710
where:
bonds (distance) C4'-P energy: -22.022
bonds (distance) P-C4' energy: -19.522
flat angles C4'-P-C4' energy: -20.746
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -15.339
Dist. restrs. and SS energy: 0.660 (S_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: 92
Temperature: 1.150000
Total energy: -330.092236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.092236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.950752 (E_RNA)
where:
Base-Base interactions energy: -234.475
where: short stacking energy: -85.162
Base-Backbone interact. energy: 1.067
local terms energy: -97.542623
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -14.418
tors. eta vs tors. theta energy: -22.293
Dist. restrs. and SS energy: 0.859 (S_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: 92
Temperature: 1.200000
Total energy: -281.547011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.547011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.524285 (E_RNA)
where:
Base-Base interactions energy: -189.312
where: short stacking energy: -79.513
Base-Backbone interact. energy: -0.467
local terms energy: -95.745298
where:
bonds (distance) C4'-P energy: -21.064
bonds (distance) P-C4' energy: -21.113
flat angles C4'-P-C4' energy: -21.876
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -21.185
Dist. restrs. and SS energy: 3.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -250.457800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.457800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.305026 (E_RNA)
where:
Base-Base interactions energy: -165.361
where: short stacking energy: -72.867
Base-Backbone interact. energy: -1.439
local terms energy: -84.504685
where:
bonds (distance) C4'-P energy: -21.686
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -22.700
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -15.500
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: 9, replica: 8
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -210.261503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.261503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.827748 (E_RNA)
where:
Base-Base interactions energy: -132.420
where: short stacking energy: -56.943
Base-Backbone interact. energy: -0.862
local terms energy: -78.545182
where:
bonds (distance) C4'-P energy: -18.464
bonds (distance) P-C4' energy: -20.311
flat angles C4'-P-C4' energy: -19.651
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -9.174
Dist. restrs. and SS energy: 1.566 (S_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: 92
Temperature: 1.350000
Total energy: -200.533426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.533426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.515274 (E_RNA)
where:
Base-Base interactions energy: -129.386
where: short stacking energy: -52.912
Base-Backbone interact. energy: -0.403
local terms energy: -75.726526
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -19.011
flat angles C4'-P-C4' energy: -19.538
flat angles P-C4'-P energy: -15.545
tors. eta vs tors. theta energy: -7.288
Dist. restrs. and SS energy: 4.982 (S_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: 93
Temperature: 0.900000
Total energy: -370.381334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.381334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.326800 (E_RNA)
where:
Base-Base interactions energy: -249.933
where: short stacking energy: -96.452
Base-Backbone interact. energy: 0.499
local terms energy: -121.892105
where:
bonds (distance) C4'-P energy: -23.531
bonds (distance) P-C4' energy: -23.015
flat angles C4'-P-C4' energy: -26.599
flat angles P-C4'-P energy: -19.950
tors. eta vs tors. theta energy: -28.797
Dist. restrs. and SS energy: 0.945 (S_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: 93
Temperature: 0.950000
Total energy: -363.914595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.914595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.037303 (E_RNA)
where:
Base-Base interactions energy: -246.644
where: short stacking energy: -106.979
Base-Backbone interact. energy: -1.229
local terms energy: -117.164495
where:
bonds (distance) C4'-P energy: -23.533
bonds (distance) P-C4' energy: -19.789
flat angles C4'-P-C4' energy: -24.770
flat angles P-C4'-P energy: -17.932
tors. eta vs tors. theta energy: -31.140
Dist. restrs. and SS energy: 1.123 (S_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: 93
Temperature: 1.000000
Total energy: -341.375643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.375643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.710241 (E_RNA)
where:
Base-Base interactions energy: -229.389
where: short stacking energy: -99.761
Base-Backbone interact. energy: -0.522
local terms energy: -112.799604
where:
bonds (distance) C4'-P energy: -21.760
bonds (distance) P-C4' energy: -23.438
flat angles C4'-P-C4' energy: -21.738
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -31.573
Dist. restrs. and SS energy: 1.335 (S_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: -350.322289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.322289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.847754 (E_RNA)
where:
Base-Base interactions energy: -255.528
where: short stacking energy: -99.141
Base-Backbone interact. energy: -1.179
local terms energy: -94.140525
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -20.801
flat angles P-C4'-P energy: -15.518
tors. eta vs tors. theta energy: -30.386
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: 5, replica: 1
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -304.678782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.678782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.735347 (E_RNA)
where:
Base-Base interactions energy: -214.957
where: short stacking energy: -80.289
Base-Backbone interact. energy: -2.344
local terms energy: -88.434768
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -21.715
flat angles C4'-P-C4' energy: -19.956
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -17.115
Dist. restrs. and SS energy: 1.057 (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: 7
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -269.672827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.672827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.399327 (E_RNA)
where:
Base-Base interactions energy: -181.438
where: short stacking energy: -69.683
Base-Backbone interact. energy: 0.106
local terms energy: -90.066927
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -24.269
flat angles C4'-P-C4' energy: -25.539
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -15.189
Dist. restrs. and SS energy: 1.727 (S_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: 93
Temperature: 1.200000
Total energy: -275.196549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.196549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.658984 (E_RNA)
where:
Base-Base interactions energy: -199.523
where: short stacking energy: -73.310
Base-Backbone interact. energy: 1.821
local terms energy: -77.957277
where:
bonds (distance) C4'-P energy: -22.276
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -14.849
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: 8, replica: 5
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -247.651586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.651586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.747544 (E_RNA)
where:
Base-Base interactions energy: -169.294
where: short stacking energy: -71.473
Base-Backbone interact. energy: -1.467
local terms energy: -78.987145
where:
bonds (distance) C4'-P energy: -18.740
bonds (distance) P-C4' energy: -26.629
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -4.142
tors. eta vs tors. theta energy: -11.556
Dist. restrs. and SS energy: 2.096 (S_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: 93
Temperature: 1.300000
Total energy: -245.175615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.175615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.985517 (E_RNA)
where:
Base-Base interactions energy: -171.822
where: short stacking energy: -76.099
Base-Backbone interact. energy: 0.440
local terms energy: -76.603488
where:
bonds (distance) C4'-P energy: -22.292
bonds (distance) P-C4' energy: -15.693
flat angles C4'-P-C4' energy: -10.113
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -17.766
Dist. restrs. and SS energy: 2.810 (S_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: 93
Temperature: 1.350000
Total energy: -220.790884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.790884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.048949 (E_RNA)
where:
Base-Base interactions energy: -149.420
where: short stacking energy: -51.130
Base-Backbone interact. energy: -0.845
local terms energy: -70.784309
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -20.745
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -6.932
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: 2
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -360.376454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.376454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.560038 (E_RNA)
where:
Base-Base interactions energy: -249.198
where: short stacking energy: -102.008
Base-Backbone interact. energy: 0.063
local terms energy: -112.425074
where:
bonds (distance) C4'-P energy: -22.549
bonds (distance) P-C4' energy: -22.852
flat angles C4'-P-C4' energy: -23.884
flat angles P-C4'-P energy: -14.858
tors. eta vs tors. theta energy: -28.282
Dist. restrs. and SS energy: 1.184 (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: 4
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -366.612286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.612286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.638202 (E_RNA)
where:
Base-Base interactions energy: -252.940
where: short stacking energy: -94.590
Base-Backbone interact. energy: -0.865
local terms energy: -112.833157
where:
bonds (distance) C4'-P energy: -18.523
bonds (distance) P-C4' energy: -21.514
flat angles C4'-P-C4' energy: -26.241
flat angles P-C4'-P energy: -18.925
tors. eta vs tors. theta energy: -27.630
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: 3
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -363.844788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.844788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.243830 (E_RNA)
where:
Base-Base interactions energy: -248.405
where: short stacking energy: -101.468
Base-Backbone interact. energy: -1.158
local terms energy: -115.680000
where:
bonds (distance) C4'-P energy: -20.633
bonds (distance) P-C4' energy: -19.484
flat angles C4'-P-C4' energy: -26.394
flat angles P-C4'-P energy: -18.100
tors. eta vs tors. theta energy: -31.070
Dist. restrs. and SS energy: 1.399 (S_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: 94
Temperature: 1.050000
Total energy: -344.330541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.330541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.537920 (E_RNA)
where:
Base-Base interactions energy: -238.068
where: short stacking energy: -95.377
Base-Backbone interact. energy: -1.457
local terms energy: -105.012254
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -22.445
flat angles P-C4'-P energy: -18.259
tors. eta vs tors. theta energy: -26.730
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: 1
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -316.890737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.890737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.042260 (E_RNA)
where:
Base-Base interactions energy: -226.418
where: short stacking energy: -85.153
Base-Backbone interact. energy: -0.135
local terms energy: -91.489296
where:
bonds (distance) C4'-P energy: -25.832
bonds (distance) P-C4' energy: -21.286
flat angles C4'-P-C4' energy: -20.880
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -12.819
Dist. restrs. and SS energy: 1.152 (S_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: 94
Temperature: 1.150000
Total energy: -299.532615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.532615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.201894 (E_RNA)
where:
Base-Base interactions energy: -196.179
where: short stacking energy: -82.561
Base-Backbone interact. energy: -0.117
local terms energy: -103.905889
where:
bonds (distance) C4'-P energy: -25.665
bonds (distance) P-C4' energy: -23.250
flat angles C4'-P-C4' energy: -22.730
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -24.521
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: 7, replica: 5
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -265.915181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.915181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.232412 (E_RNA)
where:
Base-Base interactions energy: -174.326
where: short stacking energy: -78.113
Base-Backbone interact. energy: -1.136
local terms energy: -94.770666
where:
bonds (distance) C4'-P energy: -26.601
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -19.034
flat angles P-C4'-P energy: -16.301
tors. eta vs tors. theta energy: -17.658
Dist. restrs. and SS energy: 4.317 (S_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: 94
Temperature: 1.250000
Total energy: -279.271380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.271380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.705349 (E_RNA)
where:
Base-Base interactions energy: -190.480
where: short stacking energy: -71.232
Base-Backbone interact. energy: 0.297
local terms energy: -90.522965
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -25.320
flat angles C4'-P-C4' energy: -20.293
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -15.741
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: 9, replica: 6
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -234.578620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.578620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.886044 (E_RNA)
where:
Base-Base interactions energy: -156.491
where: short stacking energy: -60.762
Base-Backbone interact. energy: 0.297
local terms energy: -82.692353
where:
bonds (distance) C4'-P energy: -18.006
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -18.409
flat angles P-C4'-P energy: -15.352
tors. eta vs tors. theta energy: -10.979
Dist. restrs. and SS energy: 4.307 (S_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: -191.654187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.654187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.648304 (E_RNA)
where:
Base-Base interactions energy: -118.062
where: short stacking energy: -53.033
Base-Backbone interact. energy: -0.708
local terms energy: -75.878516
where:
bonds (distance) C4'-P energy: -18.500
bonds (distance) P-C4' energy: -22.269
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: -4.258
Dist. restrs. and SS energy: 2.994 (S_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: 95
Temperature: 0.900000
Total energy: -376.610718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.610718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.417151 (E_RNA)
where:
Base-Base interactions energy: -264.942
where: short stacking energy: -101.321
Base-Backbone interact. energy: -0.367
local terms energy: -112.107993
where:
bonds (distance) C4'-P energy: -22.567
bonds (distance) P-C4' energy: -20.148
flat angles C4'-P-C4' energy: -25.800
flat angles P-C4'-P energy: -16.797
tors. eta vs tors. theta energy: -26.797
Dist. restrs. and SS energy: 0.806 (S_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: 95
Temperature: 0.950000
Total energy: -361.391668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.391668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.405910 (E_RNA)
where:
Base-Base interactions energy: -249.180
where: short stacking energy: -99.606
Base-Backbone interact. energy: 0.489
local terms energy: -112.714738
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -23.816
flat angles C4'-P-C4' energy: -21.657
flat angles P-C4'-P energy: -16.935
tors. eta vs tors. theta energy: -31.591
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: 3
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -350.122857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.122857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.840899 (E_RNA)
where:
Base-Base interactions energy: -239.880
where: short stacking energy: -93.740
Base-Backbone interact. energy: -0.269
local terms energy: -110.692374
where:
bonds (distance) C4'-P energy: -25.926
bonds (distance) P-C4' energy: -21.368
flat angles C4'-P-C4' energy: -22.898
flat angles P-C4'-P energy: -15.406
tors. eta vs tors. theta energy: -25.094
Dist. restrs. and SS energy: 0.718 (S_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: 95
Temperature: 1.050000
Total energy: -348.832383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.832383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.972249 (E_RNA)
where:
Base-Base interactions energy: -241.552
where: short stacking energy: -96.969
Base-Backbone interact. energy: -1.223
local terms energy: -107.197892
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -20.476
flat angles C4'-P-C4' energy: -22.934
flat angles P-C4'-P energy: -16.848
tors. eta vs tors. theta energy: -30.985
Dist. restrs. and SS energy: 1.140 (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: 1
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -308.991803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.991803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.907884 (E_RNA)
where:
Base-Base interactions energy: -203.959
where: short stacking energy: -88.884
Base-Backbone interact. energy: -0.229
local terms energy: -105.720610
where:
bonds (distance) C4'-P energy: -22.392
bonds (distance) P-C4' energy: -21.240
flat angles C4'-P-C4' energy: -22.384
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -20.387
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: 6, replica: 5
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -277.638928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.638928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.341940 (E_RNA)
where:
Base-Base interactions energy: -179.760
where: short stacking energy: -77.809
Base-Backbone interact. energy: -0.530
local terms energy: -99.052417
where:
bonds (distance) C4'-P energy: -18.687
bonds (distance) P-C4' energy: -21.316
flat angles C4'-P-C4' energy: -22.788
flat angles P-C4'-P energy: -16.958
tors. eta vs tors. theta energy: -19.304
Dist. restrs. and SS energy: 1.703 (S_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: 95
Temperature: 1.200000
Total energy: -288.255546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.255546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.455465 (E_RNA)
where:
Base-Base interactions energy: -194.227
where: short stacking energy: -76.004
Base-Backbone interact. energy: 0.495
local terms energy: -95.723503
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -19.430
flat angles C4'-P-C4' energy: -21.653
flat angles P-C4'-P energy: -14.274
tors. eta vs tors. theta energy: -26.333
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: 8, replica: 10
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -290.624737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.624737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.124946 (E_RNA)
where:
Base-Base interactions energy: -209.638
where: short stacking energy: -86.113
Base-Backbone interact. energy: 2.403
local terms energy: -86.889284
where:
bonds (distance) C4'-P energy: -17.804
bonds (distance) P-C4' energy: -12.229
flat angles C4'-P-C4' energy: -23.707
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -20.729
Dist. restrs. and SS energy: 3.500 (S_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: 95
Temperature: 1.300000
Total energy: -243.723594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.723594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.619327 (E_RNA)
where:
Base-Base interactions energy: -158.468
where: short stacking energy: -72.956
Base-Backbone interact. energy: -0.153
local terms energy: -89.998244
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -19.242
flat angles C4'-P-C4' energy: -21.627
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -21.420
Dist. restrs. and SS energy: 4.896 (S_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: -201.302353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.302353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.079532 (E_RNA)
where:
Base-Base interactions energy: -130.027
where: short stacking energy: -59.084
Base-Backbone interact. energy: -0.667
local terms energy: -72.385820
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -26.293
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -6.411
tors. eta vs tors. theta energy: -11.014
Dist. restrs. and SS energy: 1.777 (S_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: 96
Temperature: 0.900000
Total energy: -362.528949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.528949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.052339 (E_RNA)
where:
Base-Base interactions energy: -251.621
where: short stacking energy: -101.589
Base-Backbone interact. energy: -0.395
local terms energy: -112.035913
where:
bonds (distance) C4'-P energy: -22.745
bonds (distance) P-C4' energy: -23.289
flat angles C4'-P-C4' energy: -20.719
flat angles P-C4'-P energy: -16.223
tors. eta vs tors. theta energy: -29.060
Dist. restrs. and SS energy: 1.523 (S_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: 96
Temperature: 0.950000
Total energy: -355.533521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.533521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.547760 (E_RNA)
where:
Base-Base interactions energy: -252.105
where: short stacking energy: -103.254
Base-Backbone interact. energy: -0.778
local terms energy: -104.664829
where:
bonds (distance) C4'-P energy: -20.509
bonds (distance) P-C4' energy: -19.856
flat angles C4'-P-C4' energy: -23.328
flat angles P-C4'-P energy: -14.872
tors. eta vs tors. theta energy: -26.100
Dist. restrs. and SS energy: 2.014 (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: 3
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -346.678831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.678831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.301164 (E_RNA)
where:
Base-Base interactions energy: -251.240
where: short stacking energy: -91.518
Base-Backbone interact. energy: 0.611
local terms energy: -96.672792
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -25.061
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -14.369
tors. eta vs tors. theta energy: -24.191
Dist. restrs. and SS energy: 0.622 (S_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: 96
Temperature: 1.050000
Total energy: -343.946247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.946247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.446228 (E_RNA)
where:
Base-Base interactions energy: -241.302
where: short stacking energy: -85.448
Base-Backbone interact. energy: -0.282
local terms energy: -103.863019
where:
bonds (distance) C4'-P energy: -23.957
bonds (distance) P-C4' energy: -18.596
flat angles C4'-P-C4' energy: -18.289
flat angles P-C4'-P energy: -20.645
tors. eta vs tors. theta energy: -22.377
Dist. restrs. and SS energy: 1.500 (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: 5
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -295.201919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.201919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.837634 (E_RNA)
where:
Base-Base interactions energy: -201.815
where: short stacking energy: -83.965
Base-Backbone interact. energy: 0.299
local terms energy: -96.321630
where:
bonds (distance) C4'-P energy: -20.632
bonds (distance) P-C4' energy: -21.195
flat angles C4'-P-C4' energy: -19.237
flat angles P-C4'-P energy: -14.467
tors. eta vs tors. theta energy: -20.791
Dist. restrs. and SS energy: 2.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -294.516483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.516483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.722190 (E_RNA)
where:
Base-Base interactions energy: -208.509
where: short stacking energy: -69.418
Base-Backbone interact. energy: -0.760
local terms energy: -86.453412
where:
bonds (distance) C4'-P energy: -19.799
bonds (distance) P-C4' energy: -20.401
flat angles C4'-P-C4' energy: -19.493
flat angles P-C4'-P energy: -14.499
tors. eta vs tors. theta energy: -12.262
Dist. restrs. and SS energy: 1.206 (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: 10
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -296.947664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.947664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.666459 (E_RNA)
where:
Base-Base interactions energy: -200.672
where: short stacking energy: -78.157
Base-Backbone interact. energy: 0.599
local terms energy: -98.593458
where:
bonds (distance) C4'-P energy: -22.756
bonds (distance) P-C4' energy: -21.477
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -15.763
tors. eta vs tors. theta energy: -19.544
Dist. restrs. and SS energy: 1.719 (S_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: 96
Temperature: 1.250000
Total energy: -246.553024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.553024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.552204 (E_RNA)
where:
Base-Base interactions energy: -163.135
where: short stacking energy: -79.358
Base-Backbone interact. energy: -1.397
local terms energy: -92.020000
where:
bonds (distance) C4'-P energy: -21.906
bonds (distance) P-C4' energy: -17.487
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -14.840
tors. eta vs tors. theta energy: -23.060
Dist. restrs. and SS energy: 9.999 (S_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: 96
Temperature: 1.300000
Total energy: -263.456373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.456373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.695751 (E_RNA)
where:
Base-Base interactions energy: -170.316
where: short stacking energy: -68.585
Base-Backbone interact. energy: -0.523
local terms energy: -93.856647
where:
bonds (distance) C4'-P energy: -22.127
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -22.179
flat angles P-C4'-P energy: -16.313
tors. eta vs tors. theta energy: -17.950
Dist. restrs. and SS energy: 1.239 (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: 8
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -242.636687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.636687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.645928 (E_RNA)
where:
Base-Base interactions energy: -158.515
where: short stacking energy: -66.377
Base-Backbone interact. energy: -0.054
local terms energy: -85.076862
where:
bonds (distance) C4'-P energy: -20.739
bonds (distance) P-C4' energy: -21.978
flat angles C4'-P-C4' energy: -21.780
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -7.192
Dist. restrs. and SS energy: 1.009 (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: 97
Temperature: 0.900000
Total energy: -367.119672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.119672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.401604 (E_RNA)
where:
Base-Base interactions energy: -257.160
where: short stacking energy: -100.022
Base-Backbone interact. energy: -0.627
local terms energy: -110.615185
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -20.714
flat angles C4'-P-C4' energy: -22.136
flat angles P-C4'-P energy: -20.135
tors. eta vs tors. theta energy: -28.805
Dist. restrs. and SS energy: 1.282 (S_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: -355.558393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.558393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.915507 (E_RNA)
where:
Base-Base interactions energy: -245.922
where: short stacking energy: -98.814
Base-Backbone interact. energy: 0.351
local terms energy: -111.344046
where:
bonds (distance) C4'-P energy: -21.431
bonds (distance) P-C4' energy: -22.263
flat angles C4'-P-C4' energy: -28.084
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: -26.595
Dist. restrs. and SS energy: 1.357 (S_DIST_RNA)
chem. 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: -352.186343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.186343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.609838 (E_RNA)
where:
Base-Base interactions energy: -251.690
where: short stacking energy: -106.275
Base-Backbone interact. energy: -0.256
local terms energy: -101.663363
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -18.089
flat angles C4'-P-C4' energy: -19.696
flat angles P-C4'-P energy: -16.244
tors. eta vs tors. theta energy: -28.028
Dist. restrs. and SS energy: 1.423 (S_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: 97
Temperature: 1.050000
Total energy: -338.220927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.220927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.107021 (E_RNA)
where:
Base-Base interactions energy: -232.934
where: short stacking energy: -88.566
Base-Backbone interact. energy: -1.836
local terms energy: -104.336497
where:
bonds (distance) C4'-P energy: -19.954
bonds (distance) P-C4' energy: -25.425
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -20.093
tors. eta vs tors. theta energy: -21.314
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: 5, replica: 5
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -295.185422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.185422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.159736 (E_RNA)
where:
Base-Base interactions energy: -190.456
where: short stacking energy: -89.585
Base-Backbone interact. energy: -0.205
local terms energy: -107.499251
where:
bonds (distance) C4'-P energy: -23.129
bonds (distance) P-C4' energy: -20.337
flat angles C4'-P-C4' energy: -23.007
flat angles P-C4'-P energy: -20.312
tors. eta vs tors. theta energy: -20.713
Dist. restrs. and SS energy: 2.974 (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: 10
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -307.992647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.992647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.876780 (E_RNA)
where:
Base-Base interactions energy: -214.666
where: short stacking energy: -81.931
Base-Backbone interact. energy: -0.355
local terms energy: -93.855123
where:
bonds (distance) C4'-P energy: -17.851
bonds (distance) P-C4' energy: -23.348
flat angles C4'-P-C4' energy: -18.754
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -20.929
Dist. restrs. and SS energy: 0.884 (S_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: 97
Temperature: 1.200000
Total energy: -278.461653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.461653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.911519 (E_RNA)
where:
Base-Base interactions energy: -204.611
where: short stacking energy: -75.124
Base-Backbone interact. energy: -1.479
local terms energy: -74.822205
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -15.685
Dist. restrs. and SS energy: 2.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -284.846576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.846576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.842850 (E_RNA)
where:
Base-Base interactions energy: -192.328
where: short stacking energy: -87.545
Base-Backbone interact. energy: 2.237
local terms energy: -95.752371
where:
bonds (distance) C4'-P energy: -20.173
bonds (distance) P-C4' energy: -22.629
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -15.198
tors. eta vs tors. theta energy: -19.863
Dist. restrs. and SS energy: 0.996 (S_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: 97
Temperature: 1.300000
Total energy: -239.086188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.086188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.306506 (E_RNA)
where:
Base-Base interactions energy: -153.634
where: short stacking energy: -64.853
Base-Backbone interact. energy: -0.145
local terms energy: -86.527063
where:
bonds (distance) C4'-P energy: -18.096
bonds (distance) P-C4' energy: -22.938
flat angles C4'-P-C4' energy: -19.747
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -13.149
Dist. restrs. and SS energy: 1.220 (S_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: 97
Temperature: 1.350000
Total energy: -226.473110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.473110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.190002 (E_RNA)
where:
Base-Base interactions energy: -157.860
where: short stacking energy: -65.972
Base-Backbone interact. energy: -0.157
local terms energy: -72.173337
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -7.997
flat angles C4'-P-C4' energy: -18.994
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -19.175
Dist. restrs. and SS energy: 3.717 (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: 4
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -364.141437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.141437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.541407 (E_RNA)
where:
Base-Base interactions energy: -249.161
where: short stacking energy: -104.617
Base-Backbone interact. energy: -0.942
local terms energy: -115.437878
where:
bonds (distance) C4'-P energy: -18.592
bonds (distance) P-C4' energy: -24.641
flat angles C4'-P-C4' energy: -24.227
flat angles P-C4'-P energy: -18.135
tors. eta vs tors. theta energy: -29.844
Dist. restrs. and SS energy: 1.400 (S_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: 98
Temperature: 0.950000
Total energy: -359.806544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.806544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.325200 (E_RNA)
where:
Base-Base interactions energy: -245.359
where: short stacking energy: -96.995
Base-Backbone interact. energy: -0.570
local terms energy: -115.396045
where:
bonds (distance) C4'-P energy: -22.339
bonds (distance) P-C4' energy: -21.838
flat angles C4'-P-C4' energy: -25.302
flat angles P-C4'-P energy: -16.584
tors. eta vs tors. theta energy: -29.333
Dist. restrs. and SS energy: 1.519 (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: 9
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -355.205067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.205067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.276833 (E_RNA)
where:
Base-Base interactions energy: -248.516
where: short stacking energy: -96.217
Base-Backbone interact. energy: -0.662
local terms energy: -106.098928
where:
bonds (distance) C4'-P energy: -19.705
bonds (distance) P-C4' energy: -22.208
flat angles C4'-P-C4' energy: -21.861
flat angles P-C4'-P energy: -15.680
tors. eta vs tors. theta energy: -26.644
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: 2
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -350.876546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.876546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.177577 (E_RNA)
where:
Base-Base interactions energy: -238.931
where: short stacking energy: -80.084
Base-Backbone interact. energy: -1.276
local terms energy: -110.970642
where:
bonds (distance) C4'-P energy: -24.229
bonds (distance) P-C4' energy: -21.745
flat angles C4'-P-C4' energy: -24.310
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -27.654
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: 5, replica: 10
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -312.148450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.148450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.495833 (E_RNA)
where:
Base-Base interactions energy: -221.454
where: short stacking energy: -87.266
Base-Backbone interact. energy: -0.619
local terms energy: -91.422636
where:
bonds (distance) C4'-P energy: -19.468
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -20.226
flat angles P-C4'-P energy: -14.756
tors. eta vs tors. theta energy: -21.195
Dist. restrs. and SS energy: 1.347 (S_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: 98
Temperature: 1.150000
Total energy: -303.571575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.571575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.262908 (E_RNA)
where:
Base-Base interactions energy: -199.937
where: short stacking energy: -82.641
Base-Backbone interact. energy: -0.373
local terms energy: -103.952993
where:
bonds (distance) C4'-P energy: -21.634
bonds (distance) P-C4' energy: -21.612
flat angles C4'-P-C4' energy: -23.174
flat angles P-C4'-P energy: -17.307
tors. eta vs tors. theta energy: -20.225
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: 7, replica: 1
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -289.112208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.112208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.234160 (E_RNA)
where:
Base-Base interactions energy: -196.396
where: short stacking energy: -79.888
Base-Backbone interact. energy: -0.281
local terms energy: -94.557568
where:
bonds (distance) C4'-P energy: -16.171
bonds (distance) P-C4' energy: -22.553
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -15.922
tors. eta vs tors. theta energy: -22.145
Dist. restrs. and SS energy: 2.122 (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: 6
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -273.558651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.558651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.984723 (E_RNA)
where:
Base-Base interactions energy: -180.808
where: short stacking energy: -66.491
Base-Backbone interact. energy: -0.282
local terms energy: -92.894293
where:
bonds (distance) C4'-P energy: -20.071
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -20.730
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -22.653
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: 9, replica: 8
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -225.879476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.879476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.651673 (E_RNA)
where:
Base-Base interactions energy: -146.842
where: short stacking energy: -59.481
Base-Backbone interact. energy: -0.765
local terms energy: -79.044299
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -19.227
flat angles C4'-P-C4' energy: -17.100
flat angles P-C4'-P energy: -17.612
tors. eta vs tors. theta energy: -11.378
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: 10, replica: 7
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -236.487213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.487213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.634705 (E_RNA)
where:
Base-Base interactions energy: -156.313
where: short stacking energy: -67.953
Base-Backbone interact. energy: -0.702
local terms energy: -84.619160
where:
bonds (distance) C4'-P energy: -19.291
bonds (distance) P-C4' energy: -18.800
flat angles C4'-P-C4' energy: -17.529
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: -16.018
Dist. restrs. and SS energy: 5.147 (S_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: 99
Temperature: 0.900000
Total energy: -364.622411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.622411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.295778 (E_RNA)
where:
Base-Base interactions energy: -258.200
where: short stacking energy: -96.593
Base-Backbone interact. energy: -0.694
local terms energy: -106.402168
where:
bonds (distance) C4'-P energy: -20.947
bonds (distance) P-C4' energy: -20.118
flat angles C4'-P-C4' energy: -22.498
flat angles P-C4'-P energy: -20.560
tors. eta vs tors. theta energy: -22.280
Dist. restrs. and SS energy: 0.673 (S_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: 99
Temperature: 0.950000
Total energy: -363.800444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.800444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.213729 (E_RNA)
where:
Base-Base interactions energy: -256.828
where: short stacking energy: -100.133
Base-Backbone interact. energy: -1.591
local terms energy: -105.794642
where:
bonds (distance) C4'-P energy: -19.149
bonds (distance) P-C4' energy: -22.349
flat angles C4'-P-C4' energy: -23.677
flat angles P-C4'-P energy: -14.964
tors. eta vs tors. theta energy: -25.656
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: 9
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -353.906136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.906136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.851034 (E_RNA)
where:
Base-Base interactions energy: -248.912
where: short stacking energy: -104.909
Base-Backbone interact. energy: -1.133
local terms energy: -104.806139
where:
bonds (distance) C4'-P energy: -22.251
bonds (distance) P-C4' energy: -20.744
flat angles C4'-P-C4' energy: -18.756
flat angles P-C4'-P energy: -14.664
tors. eta vs tors. theta energy: -28.391
Dist. restrs. and SS energy: 0.945 (S_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: -341.833616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.833616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.048134 (E_RNA)
where:
Base-Base interactions energy: -230.434
where: short stacking energy: -86.146
Base-Backbone interact. energy: -0.219
local terms energy: -112.394855
where:
bonds (distance) C4'-P energy: -18.145
bonds (distance) P-C4' energy: -25.559
flat angles C4'-P-C4' energy: -23.355
flat angles P-C4'-P energy: -17.106
tors. eta vs tors. theta energy: -28.229
Dist. restrs. and SS energy: 1.215 (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: 10
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -317.694598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.694598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.313185 (E_RNA)
where:
Base-Base interactions energy: -219.007
where: short stacking energy: -90.734
Base-Backbone interact. energy: -0.940
local terms energy: -98.365936
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -23.363
flat angles C4'-P-C4' energy: -22.242
flat angles P-C4'-P energy: -17.814
tors. eta vs tors. theta energy: -21.008
Dist. restrs. and SS energy: 0.619 (S_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: 99
Temperature: 1.150000
Total energy: -299.617608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.617608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.228129 (E_RNA)
where:
Base-Base interactions energy: -208.413
where: short stacking energy: -81.312
Base-Backbone interact. energy: -1.917
local terms energy: -90.897849
where:
bonds (distance) C4'-P energy: -19.244
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -20.307
flat angles P-C4'-P energy: -17.739
tors. eta vs tors. theta energy: -18.428
Dist. restrs. and SS energy: 1.611 (S_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: 99
Temperature: 1.200000
Total energy: -267.245772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.245772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.211681 (E_RNA)
where:
Base-Base interactions energy: -181.443
where: short stacking energy: -72.802
Base-Backbone interact. energy: -1.657
local terms energy: -88.111737
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -20.158
flat angles P-C4'-P energy: -16.593
tors. eta vs tors. theta energy: -20.878
Dist. restrs. and SS energy: 3.966 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -273.477466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.477466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.549702 (E_RNA)
where:
Base-Base interactions energy: -194.513
where: short stacking energy: -77.148
Base-Backbone interact. energy: -0.354
local terms energy: -82.682589
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -20.009
flat angles C4'-P-C4' energy: -22.682
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -9.853
Dist. restrs. and SS energy: 4.072 (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: 8
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -233.857926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.857926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.379885 (E_RNA)
where:
Base-Base interactions energy: -145.539
where: short stacking energy: -63.532
Base-Backbone interact. energy: -0.441
local terms energy: -90.400138
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -22.775
flat angles C4'-P-C4' energy: -22.316
flat angles P-C4'-P energy: -13.650
tors. eta vs tors. theta energy: -15.370
Dist. restrs. and SS energy: 2.522 (S_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: 99
Temperature: 1.350000
Total energy: -243.206843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.206843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.597648 (E_RNA)
where:
Base-Base interactions energy: -163.438
where: short stacking energy: -60.938
Base-Backbone interact. energy: -0.441
local terms energy: -80.718925
where:
bonds (distance) C4'-P energy: -19.825
bonds (distance) P-C4' energy: -18.359
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -16.508
tors. eta vs tors. theta energy: -12.791
Dist. restrs. and SS energy: 1.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -365.540174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.540174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.652055 (E_RNA)
where:
Base-Base interactions energy: -259.452
where: short stacking energy: -94.418
Base-Backbone interact. energy: -0.456
local terms energy: -106.744655
where:
bonds (distance) C4'-P energy: -19.537
bonds (distance) P-C4' energy: -23.647
flat angles C4'-P-C4' energy: -21.867
flat angles P-C4'-P energy: -14.094
tors. eta vs tors. theta energy: -27.600
Dist. restrs. and SS energy: 1.112 (S_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: 100
Temperature: 0.950000
Total energy: -357.534681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.534681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.061898 (E_RNA)
where:
Base-Base interactions energy: -255.056
where: short stacking energy: -97.998
Base-Backbone interact. energy: -0.958
local terms energy: -102.048047
where:
bonds (distance) C4'-P energy: -24.434
bonds (distance) P-C4' energy: -20.469
flat angles C4'-P-C4' energy: -18.580
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -25.901
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: 100
Temperature: 1.000000
Total energy: -356.286767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.286767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.838462 (E_RNA)
where:
Base-Base interactions energy: -238.037
where: short stacking energy: -94.419
Base-Backbone interact. energy: -0.311
local terms energy: -118.491067
where:
bonds (distance) C4'-P energy: -23.866
bonds (distance) P-C4' energy: -24.649
flat angles C4'-P-C4' energy: -24.651
flat angles P-C4'-P energy: -16.163
tors. eta vs tors. theta energy: -29.162
Dist. restrs. and SS energy: 0.552 (S_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: 100
Temperature: 1.050000
Total energy: -339.387182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.387182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.703718 (E_RNA)
where:
Base-Base interactions energy: -240.356
where: short stacking energy: -89.274
Base-Backbone interact. energy: -1.450
local terms energy: -98.897883
where:
bonds (distance) C4'-P energy: -19.696
bonds (distance) P-C4' energy: -25.482
flat angles C4'-P-C4' energy: -21.128
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -24.461
Dist. restrs. and SS energy: 1.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -286.720157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.720157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.969766 (E_RNA)
where:
Base-Base interactions energy: -194.126
where: short stacking energy: -88.175
Base-Backbone interact. energy: -0.112
local terms energy: -97.731546
where:
bonds (distance) C4'-P energy: -20.119
bonds (distance) P-C4' energy: -23.800
flat angles C4'-P-C4' energy: -19.763
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -21.543
Dist. restrs. and SS energy: 5.250 (S_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: 100
Temperature: 1.150000
Total energy: -328.061846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.061846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.262812 (E_RNA)
where:
Base-Base interactions energy: -224.315
where: short stacking energy: -91.995
Base-Backbone interact. energy: -0.700
local terms energy: -104.247987
where:
bonds (distance) C4'-P energy: -18.897
bonds (distance) P-C4' energy: -20.745
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -17.731
tors. eta vs tors. theta energy: -29.061
Dist. restrs. and SS energy: 1.201 (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: 6
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -269.872278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.872278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.122630 (E_RNA)
where:
Base-Base interactions energy: -184.110
where: short stacking energy: -72.177
Base-Backbone interact. energy: -1.949
local terms energy: -84.063632
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -21.679
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -13.317
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: 1
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -247.961840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.961840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.251017 (E_RNA)
where:
Base-Base interactions energy: -180.993
where: short stacking energy: -74.868
Base-Backbone interact. energy: -1.056
local terms energy: -72.201400
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -4.906
tors. eta vs tors. theta energy: -15.392
Dist. restrs. and SS energy: 6.289 (S_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: 100
Temperature: 1.300000
Total energy: -243.913549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.913549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.876904 (E_RNA)
where:
Base-Base interactions energy: -159.375
where: short stacking energy: -63.348
Base-Backbone interact. energy: -0.185
local terms energy: -85.317568
where:
bonds (distance) C4'-P energy: -19.953
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -20.744
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -15.994
Dist. restrs. and SS energy: 0.963 (S_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: 100
Temperature: 1.350000
Total energy: -219.531408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.531408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.067012 (E_RNA)
where:
Base-Base interactions energy: -152.656
where: short stacking energy: -59.883
Base-Backbone interact. energy: 0.413
local terms energy: -76.823868
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -24.371
flat angles C4'-P-C4' energy: -22.296
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -7.053
Dist. restrs. and SS energy: 9.536 (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: 3
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -368.745991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.745991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.383842 (E_RNA)
where:
Base-Base interactions energy: -255.899
where: short stacking energy: -101.971
Base-Backbone interact. energy: -0.478
local terms energy: -114.006558
where:
bonds (distance) C4'-P energy: -27.373
bonds (distance) P-C4' energy: -21.775
flat angles C4'-P-C4' energy: -21.728
flat angles P-C4'-P energy: -15.484
tors. eta vs tors. theta energy: -27.646
Dist. restrs. and SS energy: 1.638 (S_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: 101
Temperature: 0.950000
Total energy: -355.311047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.311047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.321172 (E_RNA)
where:
Base-Base interactions energy: -240.180
where: short stacking energy: -97.630
Base-Backbone interact. energy: -1.169
local terms energy: -113.972099
where:
bonds (distance) C4'-P energy: -22.391
bonds (distance) P-C4' energy: -24.419
flat angles C4'-P-C4' energy: -26.260
flat angles P-C4'-P energy: -13.665
tors. eta vs tors. theta energy: -27.237
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: 101
Temperature: 1.000000
Total energy: -356.519489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.519489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.372479 (E_RNA)
where:
Base-Base interactions energy: -248.738
where: short stacking energy: -90.071
Base-Backbone interact. energy: -0.243
local terms energy: -108.391794
where:
bonds (distance) C4'-P energy: -19.913
bonds (distance) P-C4' energy: -19.816
flat angles C4'-P-C4' energy: -24.087
flat angles P-C4'-P energy: -14.428
tors. eta vs tors. theta energy: -30.149
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: 4, replica: 9
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -348.888162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.888162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.175641 (E_RNA)
where:
Base-Base interactions energy: -249.220
where: short stacking energy: -93.054
Base-Backbone interact. energy: 1.020
local terms energy: -100.974875
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -22.349
flat angles C4'-P-C4' energy: -19.934
flat angles P-C4'-P energy: -17.807
tors. eta vs tors. theta energy: -27.128
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: 5
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -296.626226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.626226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.769708 (E_RNA)
where:
Base-Base interactions energy: -193.676
where: short stacking energy: -77.525
Base-Backbone interact. energy: -0.292
local terms energy: -102.801640
where:
bonds (distance) C4'-P energy: -25.879
bonds (distance) P-C4' energy: -24.289
flat angles C4'-P-C4' energy: -20.458
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -19.729
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: 6, replica: 10
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -329.463957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.463957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.052256 (E_RNA)
where:
Base-Base interactions energy: -227.828
where: short stacking energy: -83.917
Base-Backbone interact. energy: -1.308
local terms energy: -100.916432
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -21.130
flat angles C4'-P-C4' energy: -24.341
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -24.828
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: 7, replica: 6
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -276.749710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.749710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.813488 (E_RNA)
where:
Base-Base interactions energy: -191.078
where: short stacking energy: -75.443
Base-Backbone interact. energy: -0.523
local terms energy: -85.212871
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -27.033
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -18.563
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: 7
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -236.809657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.809657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.867234 (E_RNA)
where:
Base-Base interactions energy: -162.664
where: short stacking energy: -58.632
Base-Backbone interact. energy: -0.119
local terms energy: -77.084188
where:
bonds (distance) C4'-P energy: -22.970
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -22.626
flat angles P-C4'-P energy: -6.441
tors. eta vs tors. theta energy: -11.722
Dist. restrs. and SS energy: 3.058 (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: 1
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -228.191657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.191657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.888647 (E_RNA)
where:
Base-Base interactions energy: -152.483
where: short stacking energy: -55.251
Base-Backbone interact. energy: -0.426
local terms energy: -77.980003
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -24.630
flat angles C4'-P-C4' energy: -19.255
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -8.640
Dist. restrs. and SS energy: 2.697 (S_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: 101
Temperature: 1.350000
Total energy: -222.791941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.791941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.490156 (E_RNA)
where:
Base-Base interactions energy: -149.644
where: short stacking energy: -63.523
Base-Backbone interact. energy: 0.050
local terms energy: -74.896149
where:
bonds (distance) C4'-P energy: -21.340
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -23.819
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -3.879
Dist. restrs. and SS energy: 1.698 (S_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: 102
Temperature: 0.900000
Total energy: -382.496413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.496413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.147268 (E_RNA)
where:
Base-Base interactions energy: -267.523
where: short stacking energy: -104.395
Base-Backbone interact. energy: -0.944
local terms energy: -115.679529
where:
bonds (distance) C4'-P energy: -23.797
bonds (distance) P-C4' energy: -21.604
flat angles C4'-P-C4' energy: -23.698
flat angles P-C4'-P energy: -17.106
tors. eta vs tors. theta energy: -29.474
Dist. restrs. and SS energy: 1.651 (S_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: 102
Temperature: 0.950000
Total energy: -357.321238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.321238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.357761 (E_RNA)
where:
Base-Base interactions energy: -248.872
where: short stacking energy: -103.966
Base-Backbone interact. energy: -0.405
local terms energy: -109.080122
where:
bonds (distance) C4'-P energy: -20.010
bonds (distance) P-C4' energy: -18.791
flat angles C4'-P-C4' energy: -19.022
flat angles P-C4'-P energy: -20.399
tors. eta vs tors. theta energy: -30.858
Dist. restrs. and SS energy: 1.037 (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: 9
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -351.777238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.777238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.194457 (E_RNA)
where:
Base-Base interactions energy: -250.170
where: short stacking energy: -93.472
Base-Backbone interact. energy: 1.047
local terms energy: -104.071509
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -24.178
flat angles P-C4'-P energy: -14.277
tors. eta vs tors. theta energy: -29.706
Dist. restrs. and SS energy: 1.417 (S_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: 102
Temperature: 1.050000
Total energy: -350.824235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.824235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.516758 (E_RNA)
where:
Base-Base interactions energy: -252.384
where: short stacking energy: -94.748
Base-Backbone interact. energy: -1.212
local terms energy: -98.920816
where:
bonds (distance) C4'-P energy: -22.788
bonds (distance) P-C4' energy: -23.409
flat angles C4'-P-C4' energy: -19.806
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -24.960
Dist. restrs. and SS energy: 1.693 (S_DIST_RNA)
chem. 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: -308.774005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.774005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.185407 (E_RNA)
where:
Base-Base interactions energy: -211.109
where: short stacking energy: -83.143
Base-Backbone interact. energy: -0.314
local terms energy: -98.761832
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -20.093
flat angles C4'-P-C4' energy: -21.829
flat angles P-C4'-P energy: -16.040
tors. eta vs tors. theta energy: -23.310
Dist. restrs. and SS energy: 1.411 (S_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: 102
Temperature: 1.150000
Total energy: -274.815711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.815711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.281773 (E_RNA)
where:
Base-Base interactions energy: -187.089
where: short stacking energy: -87.069
Base-Backbone interact. energy: -0.914
local terms energy: -92.278452
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -18.244
flat angles C4'-P-C4' energy: -19.575
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: -25.962
Dist. restrs. and SS energy: 5.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -270.180168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.180168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.748383 (E_RNA)
where:
Base-Base interactions energy: -197.785
where: short stacking energy: -70.238
Base-Backbone interact. energy: -0.742
local terms energy: -72.221298
where:
bonds (distance) C4'-P energy: -7.086
bonds (distance) P-C4' energy: -11.948
flat angles C4'-P-C4' energy: -22.846
flat angles P-C4'-P energy: -17.377
tors. eta vs tors. theta energy: -12.965
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: 8, replica: 7
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -220.620383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.620383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.742868 (E_RNA)
where:
Base-Base interactions energy: -139.487
where: short stacking energy: -63.144
Base-Backbone interact. energy: -0.217
local terms energy: -83.039688
where:
bonds (distance) C4'-P energy: -20.700
bonds (distance) P-C4' energy: -21.250
flat angles C4'-P-C4' energy: -23.602
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -8.546
Dist. restrs. and SS energy: 2.122 (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: 8
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -233.416006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.416006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.834346 (E_RNA)
where:
Base-Base interactions energy: -157.249
where: short stacking energy: -56.460
Base-Backbone interact. energy: 1.185
local terms energy: -78.769949
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -24.262
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: -8.029
Dist. restrs. and SS energy: 1.418 (S_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: 102
Temperature: 1.350000
Total energy: -239.320138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.320138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.098423 (E_RNA)
where:
Base-Base interactions energy: -146.861
where: short stacking energy: -57.491
Base-Backbone interact. energy: -0.334
local terms energy: -92.903737
where:
bonds (distance) C4'-P energy: -18.260
bonds (distance) P-C4' energy: -23.564
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -17.349
tors. eta vs tors. theta energy: -16.910
Dist. restrs. and SS energy: 0.778 (S_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: 103
Temperature: 0.900000
Total energy: -358.555540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.555540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.355890 (E_RNA)
where:
Base-Base interactions energy: -256.185
where: short stacking energy: -102.260
Base-Backbone interact. energy: -0.652
local terms energy: -102.518669
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -23.030
flat angles C4'-P-C4' energy: -22.467
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -28.968
Dist. restrs. and SS energy: 0.800 (S_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: 103
Temperature: 0.950000
Total energy: -355.780494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.780494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.947636 (E_RNA)
where:
Base-Base interactions energy: -243.666
where: short stacking energy: -97.097
Base-Backbone interact. energy: -1.022
local terms energy: -112.259943
where:
bonds (distance) C4'-P energy: -23.183
bonds (distance) P-C4' energy: -19.161
flat angles C4'-P-C4' energy: -26.786
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -30.523
Dist. restrs. and SS energy: 1.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -351.575679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.575679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.145670 (E_RNA)
where:
Base-Base interactions energy: -245.839
where: short stacking energy: -96.669
Base-Backbone interact. energy: 3.001
local terms energy: -109.307696
where:
bonds (distance) C4'-P energy: -19.048
bonds (distance) P-C4' energy: -24.614
flat angles C4'-P-C4' energy: -20.718
flat angles P-C4'-P energy: -18.934
tors. eta vs tors. theta energy: -25.993
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: 2
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -342.269122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.269122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.540487 (E_RNA)
where:
Base-Base interactions energy: -234.475
where: short stacking energy: -89.640
Base-Backbone interact. energy: -0.104
local terms energy: -108.960959
where:
bonds (distance) C4'-P energy: -19.096
bonds (distance) P-C4' energy: -27.495
flat angles C4'-P-C4' energy: -25.324
flat angles P-C4'-P energy: -14.613
tors. eta vs tors. theta energy: -22.432
Dist. restrs. and SS energy: 1.271 (S_DIST_RNA)
chem. 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: -286.937182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.937182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.079724 (E_RNA)
where:
Base-Base interactions energy: -188.755
where: short stacking energy: -78.705
Base-Backbone interact. energy: -1.084
local terms energy: -97.240880
where:
bonds (distance) C4'-P energy: -22.769
bonds (distance) P-C4' energy: -23.039
flat angles C4'-P-C4' energy: -19.179
flat angles P-C4'-P energy: -14.720
tors. eta vs tors. theta energy: -17.534
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: 6, replica: 5
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -287.571788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.571788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.611130 (E_RNA)
where:
Base-Base interactions energy: -199.868
where: short stacking energy: -85.385
Base-Backbone interact. energy: -0.444
local terms energy: -91.299449
where:
bonds (distance) C4'-P energy: -18.949
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -21.346
flat angles P-C4'-P energy: -14.986
tors. eta vs tors. theta energy: -20.694
Dist. restrs. and SS energy: 4.039 (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: 6
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -271.377805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.377805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.634204 (E_RNA)
where:
Base-Base interactions energy: -193.438
where: short stacking energy: -77.344
Base-Backbone interact. energy: -0.096
local terms energy: -78.100244
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -23.649
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -18.008
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: 8, replica: 8
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -265.539565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.539565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.972384 (E_RNA)
where:
Base-Base interactions energy: -176.767
where: short stacking energy: -68.972
Base-Backbone interact. energy: -0.497
local terms energy: -88.708621
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -24.695
flat angles C4'-P-C4' energy: -18.383
flat angles P-C4'-P energy: -15.143
tors. eta vs tors. theta energy: -16.033
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: 9, replica: 7
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -243.503222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.503222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.199641 (E_RNA)
where:
Base-Base interactions energy: -172.711
where: short stacking energy: -70.853
Base-Backbone interact. energy: -0.183
local terms energy: -74.306438
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -20.941
flat angles C4'-P-C4' energy: -19.176
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -13.454
Dist. restrs. and SS energy: 3.696 (S_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: 103
Temperature: 1.350000
Total energy: -243.081145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.081145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.439833 (E_RNA)
where:
Base-Base interactions energy: -159.321
where: short stacking energy: -72.150
Base-Backbone interact. energy: -2.041
local terms energy: -88.077788
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -24.642
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -14.389
tors. eta vs tors. theta energy: -15.665
Dist. restrs. and SS energy: 6.359 (S_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: 104
Temperature: 0.900000
Total energy: -367.905947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.905947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.282552 (E_RNA)
where:
Base-Base interactions energy: -249.071
where: short stacking energy: -100.324
Base-Backbone interact. energy: -0.509
local terms energy: -119.703021
where:
bonds (distance) C4'-P energy: -24.633
bonds (distance) P-C4' energy: -20.116
flat angles C4'-P-C4' energy: -27.176
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: -30.300
Dist. restrs. and SS energy: 1.377 (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: 104
Temperature: 0.950000
Total energy: -353.619157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.619157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.963833 (E_RNA)
where:
Base-Base interactions energy: -250.264
where: short stacking energy: -96.229
Base-Backbone interact. energy: -0.856
local terms energy: -103.844115
where:
bonds (distance) C4'-P energy: -22.749
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -22.116
flat angles P-C4'-P energy: -19.430
tors. eta vs tors. theta energy: -25.848
Dist. restrs. and SS energy: 1.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -356.340110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.340110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.419670 (E_RNA)
where:
Base-Base interactions energy: -253.614
where: short stacking energy: -104.866
Base-Backbone interact. energy: 0.757
local terms energy: -104.562738
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -22.211
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -16.213
tors. eta vs tors. theta energy: -32.422
Dist. restrs. and SS energy: 1.080 (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: 104
Temperature: 1.050000
Total energy: -355.843252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.843252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.776792 (E_RNA)
where:
Base-Base interactions energy: -252.380
where: short stacking energy: -97.196
Base-Backbone interact. energy: -0.664
local terms energy: -103.732719
where:
bonds (distance) C4'-P energy: -21.196
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -23.008
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -29.462
Dist. restrs. and SS energy: 0.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -289.721893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.721893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.085922 (E_RNA)
where:
Base-Base interactions energy: -194.200
where: short stacking energy: -84.640
Base-Backbone interact. energy: -0.560
local terms energy: -95.325457
where:
bonds (distance) C4'-P energy: -17.061
bonds (distance) P-C4' energy: -23.617
flat angles C4'-P-C4' energy: -22.409
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -24.339
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: 10
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -279.608178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.608178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.647992 (E_RNA)
where:
Base-Base interactions energy: -192.374
where: short stacking energy: -69.566
Base-Backbone interact. energy: -0.171
local terms energy: -87.103450
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -19.499
flat angles C4'-P-C4' energy: -24.629
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -12.671
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: 8
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -290.457011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.457011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.065342 (E_RNA)
where:
Base-Base interactions energy: -195.078
where: short stacking energy: -78.083
Base-Backbone interact. energy: 0.443
local terms energy: -97.429739
where:
bonds (distance) C4'-P energy: -22.967
bonds (distance) P-C4' energy: -19.529
flat angles C4'-P-C4' energy: -19.543
flat angles P-C4'-P energy: -14.449
tors. eta vs tors. theta energy: -20.943
Dist. restrs. and SS energy: 1.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -274.575127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.575127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.459926 (E_RNA)
where:
Base-Base interactions energy: -193.550
where: short stacking energy: -73.514
Base-Backbone interact. energy: -0.141
local terms energy: -81.769458
where:
bonds (distance) C4'-P energy: -18.580
bonds (distance) P-C4' energy: -9.161
flat angles C4'-P-C4' energy: -19.542
flat angles P-C4'-P energy: -20.493
tors. eta vs tors. theta energy: -13.994
Dist. restrs. and SS energy: 0.885 (S_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: 104
Temperature: 1.300000
Total energy: -227.690417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.690417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.317205 (E_RNA)
where:
Base-Base interactions energy: -145.703
where: short stacking energy: -70.431
Base-Backbone interact. energy: -0.867
local terms energy: -86.746704
where:
bonds (distance) C4'-P energy: -24.100
bonds (distance) P-C4' energy: -17.149
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -16.221
tors. eta vs tors. theta energy: -14.196
Dist. restrs. and SS energy: 5.627 (S_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: 104
Temperature: 1.350000
Total energy: -245.558539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.558539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.033768 (E_RNA)
where:
Base-Base interactions energy: -170.288
where: short stacking energy: -67.648
Base-Backbone interact. energy: -0.885
local terms energy: -78.860327
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -21.950
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -14.828
Dist. restrs. and SS energy: 4.475 (S_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: 105
Temperature: 0.900000
Total energy: -365.451340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.451340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.037146 (E_RNA)
where:
Base-Base interactions energy: -258.733
where: short stacking energy: -99.780
Base-Backbone interact. energy: -0.934
local terms energy: -106.369847
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -23.300
flat angles C4'-P-C4' energy: -22.051
flat angles P-C4'-P energy: -19.367
tors. eta vs tors. theta energy: -23.248
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: 2, replica: 2
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -364.402958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.402958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.070797 (E_RNA)
where:
Base-Base interactions energy: -253.592
where: short stacking energy: -102.213
Base-Backbone interact. energy: -0.979
local terms energy: -110.500256
where:
bonds (distance) C4'-P energy: -18.839
bonds (distance) P-C4' energy: -23.775
flat angles C4'-P-C4' energy: -25.143
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -29.494
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: 3, replica: 9
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -356.059679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.059679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.479634 (E_RNA)
where:
Base-Base interactions energy: -258.485
where: short stacking energy: -99.700
Base-Backbone interact. energy: 1.154
local terms energy: -100.148708
where:
bonds (distance) C4'-P energy: -21.716
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -19.430
flat angles P-C4'-P energy: -14.582
tors. eta vs tors. theta energy: -30.236
Dist. restrs. and SS energy: 1.420 (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: 3
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -360.138308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.138308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.370817 (E_RNA)
where:
Base-Base interactions energy: -249.984
where: short stacking energy: -95.164
Base-Backbone interact. energy: -0.499
local terms energy: -109.888474
where:
bonds (distance) C4'-P energy: -23.527
bonds (distance) P-C4' energy: -21.160
flat angles C4'-P-C4' energy: -23.615
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -28.845
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: 5
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -305.373768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.373768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.408283 (E_RNA)
where:
Base-Base interactions energy: -208.574
where: short stacking energy: -84.613
Base-Backbone interact. energy: -1.361
local terms energy: -97.472821
where:
bonds (distance) C4'-P energy: -21.730
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -22.111
flat angles P-C4'-P energy: -15.867
tors. eta vs tors. theta energy: -25.698
Dist. restrs. and SS energy: 2.035 (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: 105
Temperature: 1.150000
Total energy: -265.233543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.233543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.005992 (E_RNA)
where:
Base-Base interactions energy: -180.452
where: short stacking energy: -58.801
Base-Backbone interact. energy: -0.793
local terms energy: -85.760882
where:
bonds (distance) C4'-P energy: -24.299
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -20.908
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -16.531
Dist. restrs. and SS energy: 1.772 (S_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: -271.750023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.750023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.018398 (E_RNA)
where:
Base-Base interactions energy: -185.095
where: short stacking energy: -67.427
Base-Backbone interact. energy: -0.500
local terms energy: -87.423792
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -25.184
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -17.674
tors. eta vs tors. theta energy: -10.179
Dist. restrs. and SS energy: 1.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -234.466755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.466755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.607966 (E_RNA)
where:
Base-Base interactions energy: -154.651
where: short stacking energy: -64.250
Base-Backbone interact. energy: -0.006
local terms energy: -81.950917
where:
bonds (distance) C4'-P energy: -22.529
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -19.783
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -15.198
Dist. restrs. and SS energy: 2.141 (S_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: -222.572669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.572669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.861835 (E_RNA)
where:
Base-Base interactions energy: -137.231
where: short stacking energy: -57.248
Base-Backbone interact. energy: -0.367
local terms energy: -89.263882
where:
bonds (distance) C4'-P energy: -18.641
bonds (distance) P-C4' energy: -22.950
flat angles C4'-P-C4' energy: -24.355
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -12.916
Dist. restrs. and SS energy: 4.289 (S_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: 105
Temperature: 1.350000
Total energy: -227.341732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.341732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.784335 (E_RNA)
where:
Base-Base interactions energy: -144.726
where: short stacking energy: -64.394
Base-Backbone interact. energy: -0.597
local terms energy: -89.461047
where:
bonds (distance) C4'-P energy: -21.581
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -23.853
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -18.055
Dist. restrs. and SS energy: 7.443 (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: 106
Temperature: 0.900000
Total energy: -361.985904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.985904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.011759 (E_RNA)
where:
Base-Base interactions energy: -256.714
where: short stacking energy: -102.125
Base-Backbone interact. energy: -0.782
local terms energy: -105.514830
where:
bonds (distance) C4'-P energy: -21.533
bonds (distance) P-C4' energy: -18.508
flat angles C4'-P-C4' energy: -20.235
flat angles P-C4'-P energy: -14.836
tors. eta vs tors. theta energy: -30.403
Dist. restrs. and SS energy: 1.026 (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: 4
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -357.312443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.312443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.440421 (E_RNA)
where:
Base-Base interactions energy: -249.631
where: short stacking energy: -91.439
Base-Backbone interact. energy: 0.042
local terms energy: -107.852099
where:
bonds (distance) C4'-P energy: -21.441
bonds (distance) P-C4' energy: -23.025
flat angles C4'-P-C4' energy: -21.399
flat angles P-C4'-P energy: -15.252
tors. eta vs tors. theta energy: -26.736
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: 3, replica: 9
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -348.798358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.798358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.758734 (E_RNA)
where:
Base-Base interactions energy: -248.294
where: short stacking energy: -93.012
Base-Backbone interact. energy: -0.242
local terms energy: -101.222641
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -25.522
flat angles C4'-P-C4' energy: -25.445
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -26.445
Dist. restrs. and SS energy: 0.960 (S_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: -349.846215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.846215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.464305 (E_RNA)
where:
Base-Base interactions energy: -243.825
where: short stacking energy: -94.927
Base-Backbone interact. energy: -0.645
local terms energy: -105.994056
where:
bonds (distance) C4'-P energy: -21.103
bonds (distance) P-C4' energy: -21.266
flat angles C4'-P-C4' energy: -18.568
flat angles P-C4'-P energy: -13.758
tors. eta vs tors. theta energy: -31.299
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: 5, replica: 5
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -326.912315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.912315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.265013 (E_RNA)
where:
Base-Base interactions energy: -214.088
where: short stacking energy: -90.298
Base-Backbone interact. energy: -0.191
local terms energy: -113.986549
where:
bonds (distance) C4'-P energy: -21.184
bonds (distance) P-C4' energy: -19.962
flat angles C4'-P-C4' energy: -20.627
flat angles P-C4'-P energy: -20.072
tors. eta vs tors. theta energy: -32.143
Dist. restrs. and SS energy: 1.353 (S_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: 106
Temperature: 1.150000
Total energy: -253.466420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.466420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.654081 (E_RNA)
where:
Base-Base interactions energy: -170.767
where: short stacking energy: -68.865
Base-Backbone interact. energy: -0.423
local terms energy: -87.464454
where:
bonds (distance) C4'-P energy: -22.935
bonds (distance) P-C4' energy: -23.930
flat angles C4'-P-C4' energy: -18.613
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -14.344
Dist. restrs. and SS energy: 5.188 (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: 10
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -302.051587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.051587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.686415 (E_RNA)
where:
Base-Base interactions energy: -209.862
where: short stacking energy: -82.252
Base-Backbone interact. energy: -0.840
local terms energy: -91.984784
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -19.662
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -17.831
tors. eta vs tors. theta energy: -21.943
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: 8, replica: 6
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -239.963895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.963895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.590649 (E_RNA)
where:
Base-Base interactions energy: -172.163
where: short stacking energy: -67.174
Base-Backbone interact. energy: 1.363
local terms energy: -73.791280
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -18.682
flat angles C4'-P-C4' energy: -18.260
flat angles P-C4'-P energy: -14.601
tors. eta vs tors. theta energy: -8.037
Dist. restrs. and SS energy: 4.627 (S_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: 106
Temperature: 1.300000
Total energy: -256.444675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.444675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.783343 (E_RNA)
where:
Base-Base interactions energy: -180.055
where: short stacking energy: -82.517
Base-Backbone interact. energy: -0.913
local terms energy: -76.814785
where:
bonds (distance) C4'-P energy: -8.582
bonds (distance) P-C4' energy: -19.376
flat angles C4'-P-C4' energy: -18.966
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -18.532
Dist. restrs. and SS energy: 1.339 (S_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: -231.222429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.222429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.383633 (E_RNA)
where:
Base-Base interactions energy: -142.095
where: short stacking energy: -61.608
Base-Backbone interact. energy: -0.560
local terms energy: -91.728632
where:
bonds (distance) C4'-P energy: -22.935
bonds (distance) P-C4' energy: -21.866
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -21.307
Dist. restrs. and SS energy: 3.161 (S_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: 107
Temperature: 0.900000
Total energy: -368.917577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.917577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.395641 (E_RNA)
where:
Base-Base interactions energy: -266.643
where: short stacking energy: -96.605
Base-Backbone interact. energy: -0.734
local terms energy: -103.018706
where:
bonds (distance) C4'-P energy: -17.199
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -23.695
flat angles P-C4'-P energy: -16.504
tors. eta vs tors. theta energy: -28.256
Dist. restrs. and SS energy: 1.478 (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: 107
Temperature: 0.950000
Total energy: -358.163705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.163705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.270947 (E_RNA)
where:
Base-Base interactions energy: -255.551
where: short stacking energy: -99.211
Base-Backbone interact. energy: 2.193
local terms energy: -105.912913
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -20.157
flat angles C4'-P-C4' energy: -20.592
flat angles P-C4'-P energy: -18.062
tors. eta vs tors. theta energy: -29.608
Dist. restrs. and SS energy: 1.107 (S_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: 107
Temperature: 1.000000
Total energy: -354.487893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.487893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.075044 (E_RNA)
where:
Base-Base interactions energy: -246.066
where: short stacking energy: -90.523
Base-Backbone interact. energy: -0.804
local terms energy: -109.205343
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -25.805
flat angles C4'-P-C4' energy: -21.921
flat angles P-C4'-P energy: -16.610
tors. eta vs tors. theta energy: -29.928
Dist. restrs. and SS energy: 1.587 (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: 5
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -324.863460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.863460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.268067 (E_RNA)
where:
Base-Base interactions energy: -224.022
where: short stacking energy: -91.716
Base-Backbone interact. energy: 0.695
local terms energy: -101.941396
where:
bonds (distance) C4'-P energy: -19.658
bonds (distance) P-C4' energy: -23.117
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -15.925
tors. eta vs tors. theta energy: -25.894
Dist. restrs. and SS energy: 0.405 (S_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: 107
Temperature: 1.100000
Total energy: -341.933087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.933087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.223929 (E_RNA)
where:
Base-Base interactions energy: -231.378
where: short stacking energy: -95.762
Base-Backbone interact. energy: -0.584
local terms energy: -111.261766
where:
bonds (distance) C4'-P energy: -25.547
bonds (distance) P-C4' energy: -19.679
flat angles C4'-P-C4' energy: -21.608
flat angles P-C4'-P energy: -19.830
tors. eta vs tors. theta energy: -24.597
Dist. restrs. and SS energy: 1.291 (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: 10
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -300.474929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.474929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.550273 (E_RNA)
where:
Base-Base interactions energy: -209.580
where: short stacking energy: -83.338
Base-Backbone interact. energy: -1.347
local terms energy: -91.623154
where:
bonds (distance) C4'-P energy: -18.199
bonds (distance) P-C4' energy: -18.632
flat angles C4'-P-C4' energy: -19.976
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -23.956
Dist. restrs. and SS energy: 2.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -262.269520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.269520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.297838 (E_RNA)
where:
Base-Base interactions energy: -174.361
where: short stacking energy: -79.396
Base-Backbone interact. energy: -0.434
local terms energy: -90.502619
where:
bonds (distance) C4'-P energy: -20.890
bonds (distance) P-C4' energy: -10.279
flat angles C4'-P-C4' energy: -20.960
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -27.056
Dist. restrs. and SS energy: 3.028 (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: 107
Temperature: 1.250000
Total energy: -249.371402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.371402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.305293 (E_RNA)
where:
Base-Base interactions energy: -168.202
where: short stacking energy: -57.509
Base-Backbone interact. energy: 0.442
local terms energy: -83.544996
where:
bonds (distance) C4'-P energy: -19.089
bonds (distance) P-C4' energy: -26.311
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -15.846
tors. eta vs tors. theta energy: -7.526
Dist. restrs. and SS energy: 1.934 (S_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: 107
Temperature: 1.300000
Total energy: -230.126870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.126870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.425605 (E_RNA)
where:
Base-Base interactions energy: -154.359
where: short stacking energy: -68.522
Base-Backbone interact. energy: -0.188
local terms energy: -79.878597
where:
bonds (distance) C4'-P energy: -20.806
bonds (distance) P-C4' energy: -18.209
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -16.215
Dist. restrs. and SS energy: 4.299 (S_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: -230.295481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.295481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.812947 (E_RNA)
where:
Base-Base interactions energy: -149.585
where: short stacking energy: -63.677
Base-Backbone interact. energy: -0.971
local terms energy: -83.257508
where:
bonds (distance) C4'-P energy: -20.417
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -23.540
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -11.200
Dist. restrs. and SS energy: 3.517 (S_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: 108
Temperature: 0.900000
Total energy: -370.520185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.520185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.729231 (E_RNA)
where:
Base-Base interactions energy: -261.992
where: short stacking energy: -94.709
Base-Backbone interact. energy: -0.881
local terms energy: -108.856859
where:
bonds (distance) C4'-P energy: -16.956
bonds (distance) P-C4' energy: -22.623
flat angles C4'-P-C4' energy: -24.651
flat angles P-C4'-P energy: -17.069
tors. eta vs tors. theta energy: -27.558
Dist. restrs. and SS energy: 1.209 (S_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: 108
Temperature: 0.950000
Total energy: -358.384096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.384096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.990547 (E_RNA)
where:
Base-Base interactions energy: -251.050
where: short stacking energy: -100.524
Base-Backbone interact. energy: -1.105
local terms energy: -106.836082
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -25.170
flat angles C4'-P-C4' energy: -25.378
flat angles P-C4'-P energy: -15.210
tors. eta vs tors. theta energy: -28.263
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: 3, replica: 9
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -352.974984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.974984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.407626 (E_RNA)
where:
Base-Base interactions energy: -238.997
where: short stacking energy: -96.401
Base-Backbone interact. energy: -0.728
local terms energy: -114.682038
where:
bonds (distance) C4'-P energy: -20.485
bonds (distance) P-C4' energy: -20.974
flat angles C4'-P-C4' energy: -26.944
flat angles P-C4'-P energy: -17.414
tors. eta vs tors. theta energy: -28.864
Dist. restrs. and SS energy: 1.433 (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: 5
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -317.690742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.690742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.397426 (E_RNA)
where:
Base-Base interactions energy: -206.116
where: short stacking energy: -93.704
Base-Backbone interact. energy: -0.122
local terms energy: -113.158913
where:
bonds (distance) C4'-P energy: -24.706
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -24.642
flat angles P-C4'-P energy: -16.742
tors. eta vs tors. theta energy: -26.334
Dist. restrs. and SS energy: 1.707 (S_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: 108
Temperature: 1.100000
Total energy: -334.642762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.642762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.063317 (E_RNA)
where:
Base-Base interactions energy: -233.713
where: short stacking energy: -92.354
Base-Backbone interact. energy: 2.126
local terms energy: -103.476325
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -19.938
flat angles C4'-P-C4' energy: -21.022
flat angles P-C4'-P energy: -16.221
tors. eta vs tors. theta energy: -29.453
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: 6, replica: 10
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -316.308559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.308559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.704827 (E_RNA)
where:
Base-Base interactions energy: -219.172
where: short stacking energy: -82.530
Base-Backbone interact. energy: -0.697
local terms energy: -97.835715
where:
bonds (distance) C4'-P energy: -24.566
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -20.446
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -22.947
Dist. restrs. and SS energy: 1.396 (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: 108
Temperature: 1.200000
Total energy: -254.058862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.058862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.037185 (E_RNA)
where:
Base-Base interactions energy: -176.643
where: short stacking energy: -82.419
Base-Backbone interact. energy: -2.043
local terms energy: -80.351130
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -21.446
flat angles C4'-P-C4' energy: -19.832
flat angles P-C4'-P energy: -4.529
tors. eta vs tors. theta energy: -17.309
Dist. restrs. and SS energy: 4.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -235.287087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.287087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.514932 (E_RNA)
where:
Base-Base interactions energy: -151.567
where: short stacking energy: -63.110
Base-Backbone interact. energy: -0.249
local terms energy: -86.699110
where:
bonds (distance) C4'-P energy: -17.960
bonds (distance) P-C4' energy: -23.372
flat angles C4'-P-C4' energy: -21.750
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -12.455
Dist. restrs. and SS energy: 3.228 (S_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: -220.347903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.347903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.781401 (E_RNA)
where:
Base-Base interactions energy: -154.284
where: short stacking energy: -70.055
Base-Backbone interact. energy: -0.148
local terms energy: -76.349433
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -20.805
flat angles P-C4'-P energy: -17.724
tors. eta vs tors. theta energy: -12.223
Dist. restrs. and SS energy: 10.433 (S_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: 108
Temperature: 1.350000
Total energy: -248.805946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.805946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.452037 (E_RNA)
where:
Base-Base interactions energy: -165.427
where: short stacking energy: -64.270
Base-Backbone interact. energy: -1.217
local terms energy: -82.807857
where:
bonds (distance) C4'-P energy: -21.470
bonds (distance) P-C4' energy: -17.758
flat angles C4'-P-C4' energy: -21.565
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -16.032
Dist. restrs. and SS energy: 0.646 (S_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: 109
Temperature: 0.900000
Total energy: -378.550415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.550415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.079113 (E_RNA)
where:
Base-Base interactions energy: -267.263
where: short stacking energy: -99.671
Base-Backbone interact. energy: -1.548
local terms energy: -110.267828
where:
bonds (distance) C4'-P energy: -20.727
bonds (distance) P-C4' energy: -20.896
flat angles C4'-P-C4' energy: -22.004
flat angles P-C4'-P energy: -16.624
tors. eta vs tors. theta energy: -30.017
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: 2, replica: 2
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -356.931485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.931485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.161166 (E_RNA)
where:
Base-Base interactions energy: -246.737
where: short stacking energy: -109.116
Base-Backbone interact. energy: -0.469
local terms energy: -109.955037
where:
bonds (distance) C4'-P energy: -21.254
bonds (distance) P-C4' energy: -20.276
flat angles C4'-P-C4' energy: -22.160
flat angles P-C4'-P energy: -16.387
tors. eta vs tors. theta energy: -29.879
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: 3, replica: 9
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -365.225660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.225660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.926388 (E_RNA)
where:
Base-Base interactions energy: -253.268
where: short stacking energy: -99.826
Base-Backbone interact. energy: -0.153
local terms energy: -113.505146
where:
bonds (distance) C4'-P energy: -23.977
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -23.782
flat angles P-C4'-P energy: -20.397
tors. eta vs tors. theta energy: -27.628
Dist. restrs. and SS energy: 1.701 (S_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: 109
Temperature: 1.050000
Total energy: -333.359836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.359836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.232092 (E_RNA)
where:
Base-Base interactions energy: -230.971
where: short stacking energy: -85.800
Base-Backbone interact. energy: -0.032
local terms energy: -104.228683
where:
bonds (distance) C4'-P energy: -21.032
bonds (distance) P-C4' energy: -19.330
flat angles C4'-P-C4' energy: -24.187
flat angles P-C4'-P energy: -15.666
tors. eta vs tors. theta energy: -24.014
Dist. restrs. and SS energy: 1.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -313.591625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.591625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.452418 (E_RNA)
where:
Base-Base interactions energy: -208.839
where: short stacking energy: -85.007
Base-Backbone interact. energy: -0.348
local terms energy: -105.265755
where:
bonds (distance) C4'-P energy: -21.452
bonds (distance) P-C4' energy: -23.736
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: -26.065
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: 10
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -331.523939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.523939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.579652 (E_RNA)
where:
Base-Base interactions energy: -231.144
where: short stacking energy: -86.770
Base-Backbone interact. energy: -1.396
local terms energy: -99.039726
where:
bonds (distance) C4'-P energy: -17.858
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -23.890
flat angles P-C4'-P energy: -18.439
tors. eta vs tors. theta energy: -23.626
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: 109
Temperature: 1.200000
Total energy: -264.175031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.175031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.097204 (E_RNA)
where:
Base-Base interactions energy: -170.903
where: short stacking energy: -75.458
Base-Backbone interact. energy: -0.147
local terms energy: -96.047140
where:
bonds (distance) C4'-P energy: -20.326
bonds (distance) P-C4' energy: -21.554
flat angles C4'-P-C4' energy: -25.462
flat angles P-C4'-P energy: -13.819
tors. eta vs tors. theta energy: -14.887
Dist. restrs. and SS energy: 2.922 (S_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: -245.273558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.273558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.792720 (E_RNA)
where:
Base-Base interactions energy: -167.052
where: short stacking energy: -62.639
Base-Backbone interact. energy: 0.368
local terms energy: -79.109531
where:
bonds (distance) C4'-P energy: -18.595
bonds (distance) P-C4' energy: -20.604
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -13.377
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: 9, replica: 6
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -237.604428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.604428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.884294 (E_RNA)
where:
Base-Base interactions energy: -157.228
where: short stacking energy: -63.719
Base-Backbone interact. energy: -0.419
local terms energy: -82.237505
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -20.581
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -13.419
Dist. restrs. and SS energy: 2.280 (S_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: 109
Temperature: 1.350000
Total energy: -236.187939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.187939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.409000 (E_RNA)
where:
Base-Base interactions energy: -164.597
where: short stacking energy: -74.064
Base-Backbone interact. energy: -0.429
local terms energy: -85.382891
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -17.459
flat angles C4'-P-C4' energy: -18.480
flat angles P-C4'-P energy: -18.141
tors. eta vs tors. theta energy: -17.294
Dist. restrs. and SS energy: 14.221 (S_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: 110
Temperature: 0.900000
Total energy: -371.561479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.561479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.740884 (E_RNA)
where:
Base-Base interactions energy: -250.384
where: short stacking energy: -91.939
Base-Backbone interact. energy: 0.320
local terms energy: -122.677801
where:
bonds (distance) C4'-P energy: -23.975
bonds (distance) P-C4' energy: -24.099
flat angles C4'-P-C4' energy: -28.537
flat angles P-C4'-P energy: -17.230
tors. eta vs tors. theta energy: -28.837
Dist. restrs. and SS energy: 1.179 (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: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -361.993157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.993157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.084812 (E_RNA)
where:
Base-Base interactions energy: -242.466
where: short stacking energy: -99.965
Base-Backbone interact. energy: -0.248
local terms energy: -119.370791
where:
bonds (distance) C4'-P energy: -22.306
bonds (distance) P-C4' energy: -24.817
flat angles C4'-P-C4' energy: -25.217
flat angles P-C4'-P energy: -18.332
tors. eta vs tors. theta energy: -28.698
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: 3
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -343.804579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.804579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.994170 (E_RNA)
where:
Base-Base interactions energy: -243.590
where: short stacking energy: -88.868
Base-Backbone interact. energy: 0.814
local terms energy: -102.218220
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -23.439
flat angles C4'-P-C4' energy: -23.179
flat angles P-C4'-P energy: -18.936
tors. eta vs tors. theta energy: -20.620
Dist. restrs. and SS energy: 1.190 (S_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: 110
Temperature: 1.050000
Total energy: -343.814944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.814944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.994579 (E_RNA)
where:
Base-Base interactions energy: -245.422
where: short stacking energy: -93.689
Base-Backbone interact. energy: 0.193
local terms energy: -98.766439
where:
bonds (distance) C4'-P energy: -19.320
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -20.372
flat angles P-C4'-P energy: -16.349
tors. eta vs tors. theta energy: -25.225
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: 110
Temperature: 1.100000
Total energy: -299.068168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.068168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.342107 (E_RNA)
where:
Base-Base interactions energy: -209.128
where: short stacking energy: -84.837
Base-Backbone interact. energy: -0.048
local terms energy: -91.165744
where:
bonds (distance) C4'-P energy: -18.086
bonds (distance) P-C4' energy: -23.013
flat angles C4'-P-C4' energy: -20.791
flat angles P-C4'-P energy: -6.781
tors. eta vs tors. theta energy: -22.494
Dist. restrs. and SS energy: 1.274 (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: 10
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -302.839610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.839610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.248135 (E_RNA)
where:
Base-Base interactions energy: -212.121
where: short stacking energy: -81.043
Base-Backbone interact. energy: -1.125
local terms energy: -91.002266
where:
bonds (distance) C4'-P energy: -16.091
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -19.393
flat angles P-C4'-P energy: -13.957
tors. eta vs tors. theta energy: -20.913
Dist. restrs. and SS energy: 1.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -292.061910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.061910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.245289 (E_RNA)
where:
Base-Base interactions energy: -201.261
where: short stacking energy: -88.131
Base-Backbone interact. energy: -0.816
local terms energy: -93.168959
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -19.977
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -17.462
tors. eta vs tors. theta energy: -23.625
Dist. restrs. and SS energy: 3.183 (S_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: 110
Temperature: 1.250000
Total energy: -260.905612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.905612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.046639 (E_RNA)
where:
Base-Base interactions energy: -170.533
where: short stacking energy: -72.799
Base-Backbone interact. energy: -2.138
local terms energy: -92.375755
where:
bonds (distance) C4'-P energy: -22.255
bonds (distance) P-C4' energy: -24.450
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -16.060
tors. eta vs tors. theta energy: -15.752
Dist. restrs. and SS energy: 4.141 (S_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: 110
Temperature: 1.300000
Total energy: -259.745827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.745827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.175727 (E_RNA)
where:
Base-Base interactions energy: -167.837
where: short stacking energy: -62.802
Base-Backbone interact. energy: -0.123
local terms energy: -93.215839
where:
bonds (distance) C4'-P energy: -18.856
bonds (distance) P-C4' energy: -21.599
flat angles C4'-P-C4' energy: -21.844
flat angles P-C4'-P energy: -20.191
tors. eta vs tors. theta energy: -10.725
Dist. restrs. and SS energy: 1.430 (S_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: 110
Temperature: 1.350000
Total energy: -195.454738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.454738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.441521 (E_RNA)
where:
Base-Base interactions energy: -122.318
where: short stacking energy: -51.235
Base-Backbone interact. energy: 2.806
local terms energy: -77.929865
where:
bonds (distance) C4'-P energy: -19.415
bonds (distance) P-C4' energy: -27.408
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -4.178
Dist. restrs. and SS energy: 1.987 (S_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: 111
Temperature: 0.900000
Total energy: -374.053456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.053456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.440250 (E_RNA)
where:
Base-Base interactions energy: -267.378
where: short stacking energy: -101.951
Base-Backbone interact. energy: -0.610
local terms energy: -107.452626
where:
bonds (distance) C4'-P energy: -23.319
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -19.487
flat angles P-C4'-P energy: -18.465
tors. eta vs tors. theta energy: -26.503
Dist. restrs. and SS energy: 1.387 (S_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: 111
Temperature: 0.950000
Total energy: -362.109661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.109661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.418323 (E_RNA)
where:
Base-Base interactions energy: -249.468
where: short stacking energy: -103.292
Base-Backbone interact. energy: -1.392
local terms energy: -112.558732
where:
bonds (distance) C4'-P energy: -23.745
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -24.078
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -29.700
Dist. restrs. and SS energy: 1.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -350.689107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.689107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.982783 (E_RNA)
where:
Base-Base interactions energy: -251.223
where: short stacking energy: -100.656
Base-Backbone interact. energy: 2.537
local terms energy: -103.296917
where:
bonds (distance) C4'-P energy: -23.390
bonds (distance) P-C4' energy: -25.345
flat angles C4'-P-C4' energy: -19.837
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -25.095
Dist. restrs. and SS energy: 1.294 (S_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: 111
Temperature: 1.050000
Total energy: -342.854747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.854747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.811612 (E_RNA)
where:
Base-Base interactions energy: -239.992
where: short stacking energy: -94.133
Base-Backbone interact. energy: -0.979
local terms energy: -102.841337
where:
bonds (distance) C4'-P energy: -20.458
bonds (distance) P-C4' energy: -21.641
flat angles C4'-P-C4' energy: -23.648
flat angles P-C4'-P energy: -12.554
tors. eta vs tors. theta energy: -24.540
Dist. restrs. and SS energy: 0.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -312.239296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.239296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.778418 (E_RNA)
where:
Base-Base interactions energy: -212.203
where: short stacking energy: -100.420
Base-Backbone interact. energy: -0.641
local terms energy: -100.934359
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -21.460
flat angles C4'-P-C4' energy: -24.719
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -29.718
Dist. restrs. and SS energy: 1.539 (S_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: 111
Temperature: 1.150000
Total energy: -283.335293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.335293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.366761 (E_RNA)
where:
Base-Base interactions energy: -191.650
where: short stacking energy: -60.850
Base-Backbone interact. energy: -0.974
local terms energy: -91.743183
where:
bonds (distance) C4'-P energy: -23.373
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -22.164
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -17.466
Dist. restrs. and SS energy: 1.031 (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: 8
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -267.077248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.077248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.768397 (E_RNA)
where:
Base-Base interactions energy: -176.209
where: short stacking energy: -69.106
Base-Backbone interact. energy: -0.322
local terms energy: -92.237500
where:
bonds (distance) C4'-P energy: -19.391
bonds (distance) P-C4' energy: -23.041
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -20.813
Dist. restrs. and SS energy: 1.691 (S_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: 111
Temperature: 1.250000
Total energy: -258.130585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.130585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.230182 (E_RNA)
where:
Base-Base interactions energy: -163.408
where: short stacking energy: -62.216
Base-Backbone interact. energy: -0.342
local terms energy: -95.479816
where:
bonds (distance) C4'-P energy: -22.996
bonds (distance) P-C4' energy: -24.364
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: -16.652
Dist. restrs. and SS energy: 1.100 (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: 7
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -283.501157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.501157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.939594 (E_RNA)
where:
Base-Base interactions energy: -194.624
where: short stacking energy: -71.816
Base-Backbone interact. energy: -0.567
local terms energy: -88.749429
where:
bonds (distance) C4'-P energy: -20.620
bonds (distance) P-C4' energy: -18.453
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -17.647
tors. eta vs tors. theta energy: -15.473
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: 10, replica: 6
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -201.029907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.029907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.446028 (E_RNA)
where:
Base-Base interactions energy: -134.224
where: short stacking energy: -55.525
Base-Backbone interact. energy: -0.578
local terms energy: -72.643309
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -18.724
flat angles C4'-P-C4' energy: -21.809
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -11.089
Dist. restrs. and SS energy: 6.416 (S_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: 112
Temperature: 0.900000
Total energy: -375.576439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.576439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.653244 (E_RNA)
where:
Base-Base interactions energy: -262.989
where: short stacking energy: -103.469
Base-Backbone interact. energy: -0.862
local terms energy: -112.802768
where:
bonds (distance) C4'-P energy: -18.309
bonds (distance) P-C4' energy: -23.444
flat angles C4'-P-C4' energy: -24.958
flat angles P-C4'-P energy: -20.446
tors. eta vs tors. theta energy: -25.646
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: 2, replica: 2
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -365.712962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.712962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.678799 (E_RNA)
where:
Base-Base interactions energy: -258.158
where: short stacking energy: -101.584
Base-Backbone interact. energy: -0.625
local terms energy: -108.894938
where:
bonds (distance) C4'-P energy: -24.407
bonds (distance) P-C4' energy: -22.201
flat angles C4'-P-C4' energy: -20.643
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -28.408
Dist. restrs. and SS energy: 1.966 (S_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: 112
Temperature: 1.000000
Total energy: -357.297058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.297058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.029231 (E_RNA)
where:
Base-Base interactions energy: -246.809
where: short stacking energy: -98.347
Base-Backbone interact. energy: -0.421
local terms energy: -110.799515
where:
bonds (distance) C4'-P energy: -21.551
bonds (distance) P-C4' energy: -22.856
flat angles C4'-P-C4' energy: -23.670
flat angles P-C4'-P energy: -17.936
tors. eta vs tors. theta energy: -24.786
Dist. restrs. and SS energy: 0.732 (S_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: 112
Temperature: 1.050000
Total energy: -364.039315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.039315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.591584 (E_RNA)
where:
Base-Base interactions energy: -250.516
where: short stacking energy: -96.715
Base-Backbone interact. energy: -0.319
local terms energy: -114.756768
where:
bonds (distance) C4'-P energy: -21.403
bonds (distance) P-C4' energy: -23.707
flat angles C4'-P-C4' energy: -22.683
flat angles P-C4'-P energy: -19.296
tors. eta vs tors. theta energy: -27.668
Dist. restrs. and SS energy: 1.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -320.888050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.888050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.850483 (E_RNA)
where:
Base-Base interactions energy: -224.809
where: short stacking energy: -85.904
Base-Backbone interact. energy: -0.250
local terms energy: -97.791629
where:
bonds (distance) C4'-P energy: -19.340
bonds (distance) P-C4' energy: -20.188
flat angles C4'-P-C4' energy: -18.976
flat angles P-C4'-P energy: -16.006
tors. eta vs tors. theta energy: -23.281
Dist. restrs. and SS energy: 1.962 (S_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: 112
Temperature: 1.150000
Total energy: -273.059521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.059521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.738883 (E_RNA)
where:
Base-Base interactions energy: -175.314
where: short stacking energy: -73.724
Base-Backbone interact. energy: -0.986
local terms energy: -99.439595
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -24.678
flat angles C4'-P-C4' energy: -21.189
flat angles P-C4'-P energy: -17.716
tors. eta vs tors. theta energy: -17.324
Dist. restrs. and SS energy: 2.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -267.717145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.717145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.808152 (E_RNA)
where:
Base-Base interactions energy: -174.808
where: short stacking energy: -58.839
Base-Backbone interact. energy: -0.631
local terms energy: -96.369327
where:
bonds (distance) C4'-P energy: -23.328
bonds (distance) P-C4' energy: -21.382
flat angles C4'-P-C4' energy: -24.314
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -17.483
Dist. restrs. and SS energy: 4.091 (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: 8
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -253.650388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.650388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.911497 (E_RNA)
where:
Base-Base interactions energy: -177.251
where: short stacking energy: -74.334
Base-Backbone interact. energy: -0.963
local terms energy: -79.697379
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -9.348
flat angles C4'-P-C4' energy: -22.205
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -22.422
Dist. restrs. and SS energy: 4.261 (S_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: 112
Temperature: 1.300000
Total energy: -277.753167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.753167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.723216 (E_RNA)
where:
Base-Base interactions energy: -182.730
where: short stacking energy: -75.518
Base-Backbone interact. energy: -0.475
local terms energy: -96.517851
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -21.751
flat angles C4'-P-C4' energy: -23.910
flat angles P-C4'-P energy: -15.592
tors. eta vs tors. theta energy: -18.231
Dist. restrs. and SS energy: 1.970 (S_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: 112
Temperature: 1.350000
Total energy: -198.763950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.763950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.215382 (E_RNA)
where:
Base-Base interactions energy: -123.124
where: short stacking energy: -49.267
Base-Backbone interact. energy: -0.286
local terms energy: -80.805342
where:
bonds (distance) C4'-P energy: -18.635
bonds (distance) P-C4' energy: -22.926
flat angles C4'-P-C4' energy: -19.416
flat angles P-C4'-P energy: -15.335
tors. eta vs tors. theta energy: -4.494
Dist. restrs. and SS energy: 5.451 (S_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: 113
Temperature: 0.900000
Total energy: -375.234464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.234464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.803055 (E_RNA)
where:
Base-Base interactions energy: -263.085
where: short stacking energy: -89.772
Base-Backbone interact. energy: -0.700
local terms energy: -112.017894
where:
bonds (distance) C4'-P energy: -24.789
bonds (distance) P-C4' energy: -22.077
flat angles C4'-P-C4' energy: -21.826
flat angles P-C4'-P energy: -16.072
tors. eta vs tors. theta energy: -27.254
Dist. restrs. and SS energy: 0.569 (S_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: 113
Temperature: 0.950000
Total energy: -352.400286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.400286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.208792 (E_RNA)
where:
Base-Base interactions energy: -242.379
where: short stacking energy: -102.654
Base-Backbone interact. energy: -0.615
local terms energy: -111.214534
where:
bonds (distance) C4'-P energy: -25.394
bonds (distance) P-C4' energy: -21.017
flat angles C4'-P-C4' energy: -23.266
flat angles P-C4'-P energy: -14.055
tors. eta vs tors. theta energy: -27.483
Dist. restrs. and SS energy: 1.809 (S_DIST_RNA)
chem. 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: -357.122476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.122476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.343014 (E_RNA)
where:
Base-Base interactions energy: -245.119
where: short stacking energy: -92.110
Base-Backbone interact. energy: -0.854
local terms energy: -111.370122
where:
bonds (distance) C4'-P energy: -24.409
bonds (distance) P-C4' energy: -25.367
flat angles C4'-P-C4' energy: -20.374
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -27.992
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: 4, replica: 10
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -362.625337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.625337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.927061 (E_RNA)
where:
Base-Base interactions energy: -241.741
where: short stacking energy: -97.042
Base-Backbone interact. energy: -1.667
local terms energy: -120.518480
where:
bonds (distance) C4'-P energy: -25.086
bonds (distance) P-C4' energy: -20.321
flat angles C4'-P-C4' energy: -26.929
flat angles P-C4'-P energy: -19.559
tors. eta vs tors. theta energy: -28.623
Dist. restrs. and SS energy: 1.302 (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: 3
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -339.876468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.876468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.824786 (E_RNA)
where:
Base-Base interactions energy: -231.628
where: short stacking energy: -92.375
Base-Backbone interact. energy: -1.360
local terms energy: -107.836882
where:
bonds (distance) C4'-P energy: -17.404
bonds (distance) P-C4' energy: -19.223
flat angles C4'-P-C4' energy: -25.435
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -32.392
Dist. restrs. and SS energy: 0.948 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -273.002827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.002827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.507883 (E_RNA)
where:
Base-Base interactions energy: -177.391
where: short stacking energy: -75.232
Base-Backbone interact. energy: -0.221
local terms energy: -96.895754
where:
bonds (distance) C4'-P energy: -18.758
bonds (distance) P-C4' energy: -20.444
flat angles C4'-P-C4' energy: -19.193
flat angles P-C4'-P energy: -16.506
tors. eta vs tors. theta energy: -21.995
Dist. restrs. and SS energy: 1.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -260.354620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.354620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.628205 (E_RNA)
where:
Base-Base interactions energy: -179.923
where: short stacking energy: -69.452
Base-Backbone interact. energy: -0.139
local terms energy: -84.566448
where:
bonds (distance) C4'-P energy: -19.679
bonds (distance) P-C4' energy: -23.183
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -15.232
Dist. restrs. and SS energy: 4.274 (S_DIST_RNA)
chem. 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: -257.195141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.195141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.666994 (E_RNA)
where:
Base-Base interactions energy: -176.836
where: short stacking energy: -77.032
Base-Backbone interact. energy: 4.351
local terms energy: -88.181626
where:
bonds (distance) C4'-P energy: -23.654
bonds (distance) P-C4' energy: -17.567
flat angles C4'-P-C4' energy: -19.419
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: -20.361
Dist. restrs. and SS energy: 3.472 (S_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: 113
Temperature: 1.300000
Total energy: -252.060577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.060577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.486171 (E_RNA)
where:
Base-Base interactions energy: -160.549
where: short stacking energy: -57.673
Base-Backbone interact. energy: -0.582
local terms energy: -91.355385
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -15.937
tors. eta vs tors. theta energy: -18.762
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: 10, replica: 6
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -207.172716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.172716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.925980 (E_RNA)
where:
Base-Base interactions energy: -136.560
where: short stacking energy: -47.514
Base-Backbone interact. energy: -1.447
local terms energy: -71.919115
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -16.732
flat angles C4'-P-C4' energy: -22.204
flat angles P-C4'-P energy: -13.200
tors. eta vs tors. theta energy: -2.637
Dist. restrs. and SS energy: 2.753 (S_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: -365.047834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.047834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.455987 (E_RNA)
where:
Base-Base interactions energy: -251.048
where: short stacking energy: -109.004
Base-Backbone interact. energy: -0.378
local terms energy: -114.030667
where:
bonds (distance) C4'-P energy: -25.276
bonds (distance) P-C4' energy: -23.243
flat angles C4'-P-C4' energy: -22.527
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -31.119
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: 2, replica: 4
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -367.212148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.212148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.505059 (E_RNA)
where:
Base-Base interactions energy: -260.705
where: short stacking energy: -97.492
Base-Backbone interact. energy: 0.364
local terms energy: -107.163764
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -24.716
flat angles C4'-P-C4' energy: -20.788
flat angles P-C4'-P energy: -19.898
tors. eta vs tors. theta energy: -29.923
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: 3, replica: 10
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -353.345035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.345035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.467365 (E_RNA)
where:
Base-Base interactions energy: -247.821
where: short stacking energy: -105.484
Base-Backbone interact. energy: -0.617
local terms energy: -107.029010
where:
bonds (distance) C4'-P energy: -19.188
bonds (distance) P-C4' energy: -23.732
flat angles C4'-P-C4' energy: -23.349
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -28.912
Dist. restrs. and SS energy: 2.122 (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: 2
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -352.730952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.730952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.732495 (E_RNA)
where:
Base-Base interactions energy: -245.908
where: short stacking energy: -90.420
Base-Backbone interact. energy: -1.397
local terms energy: -105.426900
where:
bonds (distance) C4'-P energy: -19.609
bonds (distance) P-C4' energy: -18.278
flat angles C4'-P-C4' energy: -22.524
flat angles P-C4'-P energy: -17.205
tors. eta vs tors. theta energy: -27.812
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: 1
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -287.385590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.385590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.587707 (E_RNA)
where:
Base-Base interactions energy: -197.265
where: short stacking energy: -81.478
Base-Backbone interact. energy: -0.158
local terms energy: -95.164661
where:
bonds (distance) C4'-P energy: -22.761
bonds (distance) P-C4' energy: -20.581
flat angles C4'-P-C4' energy: -22.485
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -16.228
Dist. restrs. and SS energy: 5.202 (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: 3
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -342.634990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.634990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.812842 (E_RNA)
where:
Base-Base interactions energy: -242.095
where: short stacking energy: -96.960
Base-Backbone interact. energy: -0.892
local terms energy: -101.825731
where:
bonds (distance) C4'-P energy: -19.440
bonds (distance) P-C4' energy: -23.419
flat angles C4'-P-C4' energy: -19.223
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -25.644
Dist. restrs. and SS energy: 2.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -257.938344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.938344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.657464 (E_RNA)
where:
Base-Base interactions energy: -186.064
where: short stacking energy: -57.042
Base-Backbone interact. energy: -0.742
local terms energy: -71.851307
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -17.866
flat angles C4'-P-C4' energy: -23.484
flat angles P-C4'-P energy: -3.865
tors. eta vs tors. theta energy: -13.815
Dist. restrs. and SS energy: 0.719 (S_DIST_RNA)
chem. 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: -294.565669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.565669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.639928 (E_RNA)
where:
Base-Base interactions energy: -201.396
where: short stacking energy: -79.878
Base-Backbone interact. energy: -0.496
local terms energy: -93.747096
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -25.705
flat angles C4'-P-C4' energy: -22.628
flat angles P-C4'-P energy: -13.908
tors. eta vs tors. theta energy: -17.522
Dist. restrs. and SS energy: 1.074 (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: 7
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -213.182965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.182965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.215651 (E_RNA)
where:
Base-Base interactions energy: -127.930
where: short stacking energy: -57.447
Base-Backbone interact. energy: -0.625
local terms energy: -90.660068
where:
bonds (distance) C4'-P energy: -23.497
bonds (distance) P-C4' energy: -18.306
flat angles C4'-P-C4' energy: -22.964
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -15.576
Dist. restrs. and SS energy: 6.033 (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: 6
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -192.293337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.293337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.981337 (E_RNA)
where:
Base-Base interactions energy: -135.443
where: short stacking energy: -56.155
Base-Backbone interact. energy: -1.979
local terms energy: -57.559367
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -7.596
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -9.509
Dist. restrs. and SS energy: 2.688 (S_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: -377.305606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.305606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.108085 (E_RNA)
where:
Base-Base interactions energy: -262.101
where: short stacking energy: -103.233
Base-Backbone interact. energy: -0.742
local terms energy: -115.265982
where:
bonds (distance) C4'-P energy: -21.023
bonds (distance) P-C4' energy: -21.959
flat angles C4'-P-C4' energy: -24.995
flat angles P-C4'-P energy: -15.993
tors. eta vs tors. theta energy: -31.297
Dist. restrs. and SS energy: 0.802 (S_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: 115
Temperature: 0.950000
Total energy: -361.212585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.212585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.595535 (E_RNA)
where:
Base-Base interactions energy: -254.338
where: short stacking energy: -99.139
Base-Backbone interact. energy: -1.056
local terms energy: -107.201837
where:
bonds (distance) C4'-P energy: -26.085
bonds (distance) P-C4' energy: -24.740
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -14.323
tors. eta vs tors. theta energy: -25.353
Dist. restrs. and SS energy: 1.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -354.193436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.193436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.993326 (E_RNA)
where:
Base-Base interactions energy: -251.245
where: short stacking energy: -103.597
Base-Backbone interact. energy: -1.026
local terms energy: -103.722409
where:
bonds (distance) C4'-P energy: -17.789
bonds (distance) P-C4' energy: -21.674
flat angles C4'-P-C4' energy: -25.230
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: -25.345
Dist. restrs. and SS energy: 1.800 (S_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: 115
Temperature: 1.050000
Total energy: -338.720677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.720677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.880576 (E_RNA)
where:
Base-Base interactions energy: -231.055
where: short stacking energy: -91.831
Base-Backbone interact. energy: -0.504
local terms energy: -107.321563
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -23.526
flat angles C4'-P-C4' energy: -21.117
flat angles P-C4'-P energy: -18.472
tors. eta vs tors. theta energy: -27.933
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: 1
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -281.463341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.463341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.614022 (E_RNA)
where:
Base-Base interactions energy: -175.651
where: short stacking energy: -84.752
Base-Backbone interact. energy: -1.503
local terms energy: -109.460324
where:
bonds (distance) C4'-P energy: -20.400
bonds (distance) P-C4' energy: -26.601
flat angles C4'-P-C4' energy: -21.856
flat angles P-C4'-P energy: -13.982
tors. eta vs tors. theta energy: -26.621
Dist. restrs. and SS energy: 5.151 (S_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: 115
Temperature: 1.150000
Total energy: -335.533216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.533216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.995951 (E_RNA)
where:
Base-Base interactions energy: -231.000
where: short stacking energy: -93.401
Base-Backbone interact. energy: -0.761
local terms energy: -106.235038
where:
bonds (distance) C4'-P energy: -21.513
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -23.248
flat angles P-C4'-P energy: -18.652
tors. eta vs tors. theta energy: -23.542
Dist. restrs. and SS energy: 2.463 (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: 5
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -280.321267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.321267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.092494 (E_RNA)
where:
Base-Base interactions energy: -193.620
where: short stacking energy: -79.344
Base-Backbone interact. energy: 0.484
local terms energy: -88.956552
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -19.865
flat angles C4'-P-C4' energy: -21.247
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -20.351
Dist. restrs. and SS energy: 1.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -282.540850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.540850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.042981 (E_RNA)
where:
Base-Base interactions energy: -196.844
where: short stacking energy: -81.292
Base-Backbone interact. energy: -0.399
local terms energy: -87.799986
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -20.174
flat angles P-C4'-P energy: -14.657
tors. eta vs tors. theta energy: -19.696
Dist. restrs. and SS energy: 2.502 (S_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: 115
Temperature: 1.300000
Total energy: -226.683070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.683070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.509858 (E_RNA)
where:
Base-Base interactions energy: -156.353
where: short stacking energy: -62.851
Base-Backbone interact. energy: -0.425
local terms energy: -71.731377
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -25.019
flat angles C4'-P-C4' energy: -18.450
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -5.201
Dist. restrs. and SS energy: 1.827 (S_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: 115
Temperature: 1.350000
Total energy: -238.575869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.575869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.277037 (E_RNA)
where:
Base-Base interactions energy: -154.605
where: short stacking energy: -74.479
Base-Backbone interact. energy: -1.293
local terms energy: -84.379171
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -22.658
flat angles C4'-P-C4' energy: -19.851
flat angles P-C4'-P energy: -15.336
tors. eta vs tors. theta energy: -11.030
Dist. restrs. and SS energy: 1.701 (S_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: -365.607895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.607895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.390927 (E_RNA)
where:
Base-Base interactions energy: -261.194
where: short stacking energy: -101.471
Base-Backbone interact. energy: -0.147
local terms energy: -106.050320
where:
bonds (distance) C4'-P energy: -24.468
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -23.517
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -30.930
Dist. restrs. and SS energy: 1.783 (S_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: 116
Temperature: 0.950000
Total energy: -363.677951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.677951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.945711 (E_RNA)
where:
Base-Base interactions energy: -257.552
where: short stacking energy: -101.089
Base-Backbone interact. energy: -0.728
local terms energy: -106.665661
where:
bonds (distance) C4'-P energy: -22.028
bonds (distance) P-C4' energy: -19.912
flat angles C4'-P-C4' energy: -22.988
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -31.105
Dist. restrs. and SS energy: 1.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -355.011119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.011119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.007934 (E_RNA)
where:
Base-Base interactions energy: -251.214
where: short stacking energy: -101.969
Base-Backbone interact. energy: 0.213
local terms energy: -105.006011
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -19.962
flat angles C4'-P-C4' energy: -22.895
flat angles P-C4'-P energy: -16.092
tors. eta vs tors. theta energy: -28.948
Dist. restrs. and SS energy: 0.997 (S_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: -339.563970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.563970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.121321 (E_RNA)
where:
Base-Base interactions energy: -235.312
where: short stacking energy: -90.642
Base-Backbone interact. energy: 0.680
local terms energy: -106.489398
where:
bonds (distance) C4'-P energy: -19.415
bonds (distance) P-C4' energy: -23.236
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: -20.479
tors. eta vs tors. theta energy: -24.989
Dist. restrs. and SS energy: 1.557 (S_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: 116
Temperature: 1.100000
Total energy: -347.626427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.626427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.173959 (E_RNA)
where:
Base-Base interactions energy: -240.811
where: short stacking energy: -98.849
Base-Backbone interact. energy: -0.150
local terms energy: -107.212970
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -24.369
flat angles C4'-P-C4' energy: -25.656
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -27.344
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: 6, replica: 1
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -264.159892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.159892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.146620 (E_RNA)
where:
Base-Base interactions energy: -165.680
where: short stacking energy: -65.500
Base-Backbone interact. energy: -1.012
local terms energy: -102.454022
where:
bonds (distance) C4'-P energy: -23.137
bonds (distance) P-C4' energy: -21.501
flat angles C4'-P-C4' energy: -21.348
flat angles P-C4'-P energy: -18.039
tors. eta vs tors. theta energy: -18.429
Dist. restrs. and SS energy: 4.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -284.541484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.541484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.873573 (E_RNA)
where:
Base-Base interactions energy: -186.552
where: short stacking energy: -76.686
Base-Backbone interact. energy: -1.524
local terms energy: -98.797188
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -21.763
flat angles C4'-P-C4' energy: -19.640
flat angles P-C4'-P energy: -16.699
tors. eta vs tors. theta energy: -22.655
Dist. restrs. and SS energy: 2.332 (S_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: 116
Temperature: 1.250000
Total energy: -253.111360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.111360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.694499 (E_RNA)
where:
Base-Base interactions energy: -168.526
where: short stacking energy: -75.985
Base-Backbone interact. energy: -1.472
local terms energy: -89.696302
where:
bonds (distance) C4'-P energy: -17.961
bonds (distance) P-C4' energy: -21.223
flat angles C4'-P-C4' energy: -21.372
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -16.656
Dist. restrs. and SS energy: 6.583 (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: 116
Temperature: 1.300000
Total energy: -214.273978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.273978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.961199 (E_RNA)
where:
Base-Base interactions energy: -145.859
where: short stacking energy: -55.383
Base-Backbone interact. energy: -1.538
local terms energy: -69.563736
where:
bonds (distance) C4'-P energy: -18.705
bonds (distance) P-C4' energy: -23.465
flat angles C4'-P-C4' energy: -22.510
flat angles P-C4'-P energy: -4.365
tors. eta vs tors. theta energy: -0.520
Dist. restrs. and SS energy: 2.687 (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: 116
Temperature: 1.350000
Total energy: -215.563810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.563810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.366706 (E_RNA)
where:
Base-Base interactions energy: -143.396
where: short stacking energy: -47.183
Base-Backbone interact. energy: 1.666
local terms energy: -75.635916
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -23.575
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -8.486
Dist. restrs. and SS energy: 1.803 (S_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: -366.457485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.457485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.727952 (E_RNA)
where:
Base-Base interactions energy: -248.353
where: short stacking energy: -92.829
Base-Backbone interact. energy: -0.497
local terms energy: -118.878088
where:
bonds (distance) C4'-P energy: -23.080
bonds (distance) P-C4' energy: -25.192
flat angles C4'-P-C4' energy: -22.810
flat angles P-C4'-P energy: -17.255
tors. eta vs tors. theta energy: -30.541
Dist. restrs. and SS energy: 1.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -362.039656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.039656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.378892 (E_RNA)
where:
Base-Base interactions energy: -253.304
where: short stacking energy: -96.011
Base-Backbone interact. energy: -0.508
local terms energy: -109.566238
where:
bonds (distance) C4'-P energy: -20.651
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -22.863
flat angles P-C4'-P energy: -17.190
tors. eta vs tors. theta energy: -27.588
Dist. restrs. and SS energy: 1.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -357.036307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.036307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.207338 (E_RNA)
where:
Base-Base interactions energy: -246.012
where: short stacking energy: -103.443
Base-Backbone interact. energy: -0.670
local terms energy: -111.524791
where:
bonds (distance) C4'-P energy: -25.468
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -22.498
flat angles P-C4'-P energy: -17.236
tors. eta vs tors. theta energy: -29.449
Dist. restrs. and SS energy: 1.171 (S_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: -322.777302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.777302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.438288 (E_RNA)
where:
Base-Base interactions energy: -232.560
where: short stacking energy: -85.019
Base-Backbone interact. energy: 1.529
local terms energy: -92.406360
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -16.649
flat angles C4'-P-C4' energy: -21.941
flat angles P-C4'-P energy: -14.676
tors. eta vs tors. theta energy: -26.040
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: 5, replica: 3
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -343.018712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.018712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.061556 (E_RNA)
where:
Base-Base interactions energy: -233.808
where: short stacking energy: -102.374
Base-Backbone interact. energy: -0.799
local terms energy: -108.454715
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -21.439
flat angles C4'-P-C4' energy: -25.769
flat angles P-C4'-P energy: -16.407
tors. eta vs tors. theta energy: -30.331
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: 6, replica: 8
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -285.639924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.639924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.961892 (E_RNA)
where:
Base-Base interactions energy: -194.931
where: short stacking energy: -72.048
Base-Backbone interact. energy: -0.461
local terms energy: -92.570020
where:
bonds (distance) C4'-P energy: -20.351
bonds (distance) P-C4' energy: -22.628
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -14.428
tors. eta vs tors. theta energy: -16.249
Dist. restrs. and SS energy: 2.322 (S_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: 117
Temperature: 1.200000
Total energy: -276.165025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.165025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.864765 (E_RNA)
where:
Base-Base interactions energy: -184.538
where: short stacking energy: -67.157
Base-Backbone interact. energy: -0.229
local terms energy: -92.097926
where:
bonds (distance) C4'-P energy: -18.049
bonds (distance) P-C4' energy: -20.325
flat angles C4'-P-C4' energy: -21.854
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: -17.574
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: 8, replica: 5
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -253.629731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.629731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.810885 (E_RNA)
where:
Base-Base interactions energy: -160.259
where: short stacking energy: -74.499
Base-Backbone interact. energy: -1.169
local terms energy: -95.383016
where:
bonds (distance) C4'-P energy: -20.131
bonds (distance) P-C4' energy: -21.065
flat angles C4'-P-C4' energy: -19.360
flat angles P-C4'-P energy: -17.180
tors. eta vs tors. theta energy: -17.647
Dist. restrs. and SS energy: 3.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -224.103477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.103477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.693686 (E_RNA)
where:
Base-Base interactions energy: -142.969
where: short stacking energy: -59.177
Base-Backbone interact. energy: -0.408
local terms energy: -86.315775
where:
bonds (distance) C4'-P energy: -25.571
bonds (distance) P-C4' energy: -22.491
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -20.090
tors. eta vs tors. theta energy: -5.372
Dist. restrs. and SS energy: 5.590 (S_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: 117
Temperature: 1.350000
Total energy: -213.041413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.041413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.021276 (E_RNA)
where:
Base-Base interactions energy: -138.795
where: short stacking energy: -62.772
Base-Backbone interact. energy: -0.141
local terms energy: -77.085513
where:
bonds (distance) C4'-P energy: -16.481
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -18.309
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -15.649
Dist. restrs. and SS energy: 2.980 (S_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: 118
Temperature: 0.900000
Total energy: -375.105397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.105397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.434666 (E_RNA)
where:
Base-Base interactions energy: -255.776
where: short stacking energy: -90.605
Base-Backbone interact. energy: 0.728
local terms energy: -121.386861
where:
bonds (distance) C4'-P energy: -23.161
bonds (distance) P-C4' energy: -23.193
flat angles C4'-P-C4' energy: -26.460
flat angles P-C4'-P energy: -16.800
tors. eta vs tors. theta energy: -31.773
Dist. restrs. and SS energy: 1.329 (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: 9
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -364.206249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.206249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.338643 (E_RNA)
where:
Base-Base interactions energy: -245.789
where: short stacking energy: -100.916
Base-Backbone interact. energy: -1.054
local terms energy: -118.496071
where:
bonds (distance) C4'-P energy: -21.361
bonds (distance) P-C4' energy: -26.754
flat angles C4'-P-C4' energy: -22.726
flat angles P-C4'-P energy: -15.591
tors. eta vs tors. theta energy: -32.065
Dist. restrs. and SS energy: 1.132 (S_DIST_RNA)
chem. 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: -340.809898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.809898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.304192 (E_RNA)
where:
Base-Base interactions energy: -247.614
where: short stacking energy: -95.423
Base-Backbone interact. energy: 0.238
local terms energy: -94.928767
where:
bonds (distance) C4'-P energy: -17.979
bonds (distance) P-C4' energy: -19.138
flat angles C4'-P-C4' energy: -19.166
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -27.910
Dist. restrs. and SS energy: 1.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -341.237908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.237908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.753978 (E_RNA)
where:
Base-Base interactions energy: -243.216
where: short stacking energy: -93.296
Base-Backbone interact. energy: -0.123
local terms energy: -99.414529
where:
bonds (distance) C4'-P energy: -19.844
bonds (distance) P-C4' energy: -20.555
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -16.522
tors. eta vs tors. theta energy: -25.863
Dist. restrs. and SS energy: 1.516 (S_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: 118
Temperature: 1.100000
Total energy: -302.152498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.152498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.569812 (E_RNA)
where:
Base-Base interactions energy: -202.813
where: short stacking energy: -86.564
Base-Backbone interact. energy: -0.411
local terms energy: -99.345309
where:
bonds (distance) C4'-P energy: -22.326
bonds (distance) P-C4' energy: -21.275
flat angles C4'-P-C4' energy: -20.622
flat angles P-C4'-P energy: -15.435
tors. eta vs tors. theta energy: -19.687
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: 6, replica: 3
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -336.203687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.203687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.782438 (E_RNA)
where:
Base-Base interactions energy: -232.928
where: short stacking energy: -95.877
Base-Backbone interact. energy: -0.927
local terms energy: -103.928084
where:
bonds (distance) C4'-P energy: -17.955
bonds (distance) P-C4' energy: -23.176
flat angles C4'-P-C4' energy: -18.282
flat angles P-C4'-P energy: -20.512
tors. eta vs tors. theta energy: -24.003
Dist. restrs. and SS energy: 1.579 (S_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: 118
Temperature: 1.200000
Total energy: -278.317503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.317503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.953773 (E_RNA)
where:
Base-Base interactions energy: -194.459
where: short stacking energy: -85.410
Base-Backbone interact. energy: -0.663
local terms energy: -86.830925
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -12.816
flat angles C4'-P-C4' energy: -22.717
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -22.792
Dist. restrs. and SS energy: 3.636 (S_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: 118
Temperature: 1.250000
Total energy: -287.573265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.573265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.087862 (E_RNA)
where:
Base-Base interactions energy: -195.822
where: short stacking energy: -77.701
Base-Backbone interact. energy: -0.593
local terms energy: -92.672932
where:
bonds (distance) C4'-P energy: -16.375
bonds (distance) P-C4' energy: -23.220
flat angles C4'-P-C4' energy: -22.699
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -18.820
Dist. restrs. and SS energy: 1.515 (S_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: 118
Temperature: 1.300000
Total energy: -222.119263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.119263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.595846 (E_RNA)
where:
Base-Base interactions energy: -134.272
where: short stacking energy: -52.721
Base-Backbone interact. energy: 0.655
local terms energy: -88.978988
where:
bonds (distance) C4'-P energy: -22.308
bonds (distance) P-C4' energy: -24.144
flat angles C4'-P-C4' energy: -20.721
flat angles P-C4'-P energy: -15.088
tors. eta vs tors. theta energy: -6.719
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: 10, replica: 7
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -194.546427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.546427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.153111 (E_RNA)
where:
Base-Base interactions energy: -122.121
where: short stacking energy: -55.059
Base-Backbone interact. energy: -0.437
local terms energy: -75.595184
where:
bonds (distance) C4'-P energy: -20.778
bonds (distance) P-C4' energy: -18.506
flat angles C4'-P-C4' energy: -18.303
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -6.012
Dist. restrs. and SS energy: 3.607 (S_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: 119
Temperature: 0.900000
Total energy: -375.062007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.062007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.918731 (E_RNA)
where:
Base-Base interactions energy: -258.542
where: short stacking energy: -106.936
Base-Backbone interact. energy: -3.723
local terms energy: -113.653936
where:
bonds (distance) C4'-P energy: -23.996
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -19.678
flat angles P-C4'-P energy: -16.292
tors. eta vs tors. theta energy: -30.675
Dist. restrs. and SS energy: 0.857 (S_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: -350.043886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.043886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.395823 (E_RNA)
where:
Base-Base interactions energy: -242.510
where: short stacking energy: -93.125
Base-Backbone interact. energy: -0.446
local terms energy: -107.440099
where:
bonds (distance) C4'-P energy: -26.122
bonds (distance) P-C4' energy: -23.073
flat angles C4'-P-C4' energy: -19.529
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -25.154
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: 9
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -347.719449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.719449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.617480 (E_RNA)
where:
Base-Base interactions energy: -233.823
where: short stacking energy: -93.450
Base-Backbone interact. energy: 1.227
local terms energy: -116.022126
where:
bonds (distance) C4'-P energy: -22.757
bonds (distance) P-C4' energy: -24.543
flat angles C4'-P-C4' energy: -24.766
flat angles P-C4'-P energy: -16.501
tors. eta vs tors. theta energy: -27.455
Dist. restrs. and SS energy: 0.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -343.167277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.167277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.020664 (E_RNA)
where:
Base-Base interactions energy: -239.455
where: short stacking energy: -90.484
Base-Backbone interact. energy: -0.456
local terms energy: -104.109175
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -23.596
flat angles C4'-P-C4' energy: -22.105
flat angles P-C4'-P energy: -15.758
tors. eta vs tors. theta energy: -25.278
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: 5, replica: 8
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -276.921927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.921927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.496788 (E_RNA)
where:
Base-Base interactions energy: -187.687
where: short stacking energy: -81.092
Base-Backbone interact. energy: -0.163
local terms energy: -94.647293
where:
bonds (distance) C4'-P energy: -17.890
bonds (distance) P-C4' energy: -18.239
flat angles C4'-P-C4' energy: -22.825
flat angles P-C4'-P energy: -16.199
tors. eta vs tors. theta energy: -19.494
Dist. restrs. and SS energy: 5.575 (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: 1
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -290.650433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.650433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.297015 (E_RNA)
where:
Base-Base interactions energy: -198.240
where: short stacking energy: -87.604
Base-Backbone interact. energy: 1.072
local terms energy: -98.128158
where:
bonds (distance) C4'-P energy: -17.368
bonds (distance) P-C4' energy: -24.592
flat angles C4'-P-C4' energy: -25.874
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -20.733
Dist. restrs. and SS energy: 4.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -293.446726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.446726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.407666 (E_RNA)
where:
Base-Base interactions energy: -216.518
where: short stacking energy: -69.083
Base-Backbone interact. energy: -0.672
local terms energy: -78.218452
where:
bonds (distance) C4'-P energy: -19.787
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -14.873
tors. eta vs tors. theta energy: -13.934
Dist. restrs. and SS energy: 1.961 (S_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: 119
Temperature: 1.250000
Total energy: -262.061008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.061008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.953969 (E_RNA)
where:
Base-Base interactions energy: -180.000
where: short stacking energy: -77.835
Base-Backbone interact. energy: -0.100
local terms energy: -85.854102
where:
bonds (distance) C4'-P energy: -16.683
bonds (distance) P-C4' energy: -21.822
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -14.138
tors. eta vs tors. theta energy: -16.590
Dist. restrs. and SS energy: 3.893 (S_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: 119
Temperature: 1.300000
Total energy: -232.123095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.123095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.323224 (E_RNA)
where:
Base-Base interactions energy: -156.984
where: short stacking energy: -54.441
Base-Backbone interact. energy: 0.152
local terms energy: -75.490638
where:
bonds (distance) C4'-P energy: -20.032
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -20.330
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -6.808
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: 119
Temperature: 1.350000
Total energy: -200.455364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.455364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.995712 (E_RNA)
where:
Base-Base interactions energy: -128.618
where: short stacking energy: -45.305
Base-Backbone interact. energy: -0.236
local terms energy: -75.141960
where:
bonds (distance) C4'-P energy: -20.624
bonds (distance) P-C4' energy: -20.058
flat angles C4'-P-C4' energy: -19.883
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -2.547
Dist. restrs. and SS energy: 3.540 (S_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: 120
Temperature: 0.900000
Total energy: -361.904936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.904936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.715761 (E_RNA)
where:
Base-Base interactions energy: -251.964
where: short stacking energy: -92.794
Base-Backbone interact. energy: -0.338
local terms energy: -110.414366
where:
bonds (distance) C4'-P energy: -22.840
bonds (distance) P-C4' energy: -20.546
flat angles C4'-P-C4' energy: -22.649
flat angles P-C4'-P energy: -19.322
tors. eta vs tors. theta energy: -25.058
Dist. restrs. and SS energy: 0.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -366.148224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.148224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.303683 (E_RNA)
where:
Base-Base interactions energy: -244.109
where: short stacking energy: -99.609
Base-Backbone interact. energy: -2.002
local terms energy: -120.192647
where:
bonds (distance) C4'-P energy: -22.844
bonds (distance) P-C4' energy: -25.483
flat angles C4'-P-C4' energy: -23.336
flat angles P-C4'-P energy: -15.668
tors. eta vs tors. theta energy: -32.863
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: 4
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -344.045519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.045519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.986447 (E_RNA)
where:
Base-Base interactions energy: -231.829
where: short stacking energy: -90.185
Base-Backbone interact. energy: -0.098
local terms energy: -113.059892
where:
bonds (distance) C4'-P energy: -23.842
bonds (distance) P-C4' energy: -22.370
flat angles C4'-P-C4' energy: -24.714
flat angles P-C4'-P energy: -15.584
tors. eta vs tors. theta energy: -26.551
Dist. restrs. and SS energy: 0.941 (S_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: 120
Temperature: 1.050000
Total energy: -340.802139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.802139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.496056 (E_RNA)
where:
Base-Base interactions energy: -241.554
where: short stacking energy: -91.982
Base-Backbone interact. energy: -0.570
local terms energy: -100.371679
where:
bonds (distance) C4'-P energy: -20.485
bonds (distance) P-C4' energy: -19.092
flat angles C4'-P-C4' energy: -20.246
flat angles P-C4'-P energy: -14.891
tors. eta vs tors. theta energy: -25.658
Dist. restrs. and SS energy: 1.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -303.254751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.254751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.428141 (E_RNA)
where:
Base-Base interactions energy: -201.732
where: short stacking energy: -93.414
Base-Backbone interact. energy: -0.131
local terms energy: -103.565805
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -24.377
flat angles C4'-P-C4' energy: -27.302
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -22.796
Dist. restrs. and SS energy: 2.173 (S_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: 120
Temperature: 1.150000
Total energy: -262.992140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.992140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.873114 (E_RNA)
where:
Base-Base interactions energy: -179.000
where: short stacking energy: -77.295
Base-Backbone interact. energy: -0.307
local terms energy: -87.566444
where:
bonds (distance) C4'-P energy: -17.598
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -17.309
tors. eta vs tors. theta energy: -18.115
Dist. restrs. and SS energy: 3.881 (S_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: 120
Temperature: 1.200000
Total energy: -291.326826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.326826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.215680 (E_RNA)
where:
Base-Base interactions energy: -199.937
where: short stacking energy: -72.055
Base-Backbone interact. energy: -1.777
local terms energy: -90.501611
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -20.899
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -15.509
tors. eta vs tors. theta energy: -22.509
Dist. restrs. and SS energy: 0.889 (S_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: 120
Temperature: 1.250000
Total energy: -251.900643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.900643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.665513 (E_RNA)
where:
Base-Base interactions energy: -173.262
where: short stacking energy: -74.686
Base-Backbone interact. energy: -1.100
local terms energy: -80.303415
where:
bonds (distance) C4'-P energy: -18.190
bonds (distance) P-C4' energy: -19.473
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -13.588
tors. eta vs tors. theta energy: -14.409
Dist. restrs. and SS energy: 2.765 (S_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: 120
Temperature: 1.300000
Total energy: -218.213125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.213125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.375555 (E_RNA)
where:
Base-Base interactions energy: -138.790
where: short stacking energy: -57.099
Base-Backbone interact. energy: -0.245
local terms energy: -80.340713
where:
bonds (distance) C4'-P energy: -22.065
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -13.612
Dist. restrs. and SS energy: 1.162 (S_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: 120
Temperature: 1.350000
Total energy: -199.957646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.957646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.894038 (E_RNA)
where:
Base-Base interactions energy: -121.355
where: short stacking energy: -54.664
Base-Backbone interact. energy: -0.155
local terms energy: -83.383997
where:
bonds (distance) C4'-P energy: -19.085
bonds (distance) P-C4' energy: -18.875
flat angles C4'-P-C4' energy: -21.067
flat angles P-C4'-P energy: -15.490
tors. eta vs tors. theta energy: -8.867
Dist. restrs. and SS energy: 4.936 (S_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: 121
Temperature: 0.900000
Total energy: -363.005143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.005143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.051257 (E_RNA)
where:
Base-Base interactions energy: -245.917
where: short stacking energy: -95.356
Base-Backbone interact. energy: -0.611
local terms energy: -117.524004
where:
bonds (distance) C4'-P energy: -24.673
bonds (distance) P-C4' energy: -27.072
flat angles C4'-P-C4' energy: -23.137
flat angles P-C4'-P energy: -16.636
tors. eta vs tors. theta energy: -26.005
Dist. restrs. and SS energy: 1.046 (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: 121
Temperature: 0.950000
Total energy: -352.304779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.304779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.517271 (E_RNA)
where:
Base-Base interactions energy: -244.558
where: short stacking energy: -86.700
Base-Backbone interact. energy: 2.388
local terms energy: -110.346703
where:
bonds (distance) C4'-P energy: -22.810
bonds (distance) P-C4' energy: -24.035
flat angles C4'-P-C4' energy: -25.519
flat angles P-C4'-P energy: -17.023
tors. eta vs tors. theta energy: -20.960
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: 4
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -356.264071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.264071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.946916 (E_RNA)
where:
Base-Base interactions energy: -244.234
where: short stacking energy: -98.853
Base-Backbone interact. energy: -0.682
local terms energy: -113.031140
where:
bonds (distance) C4'-P energy: -22.980
bonds (distance) P-C4' energy: -23.667
flat angles C4'-P-C4' energy: -22.516
flat angles P-C4'-P energy: -15.285
tors. eta vs tors. theta energy: -28.583
Dist. restrs. and SS energy: 1.683 (S_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: 121
Temperature: 1.050000
Total energy: -351.469801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.469801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.877855 (E_RNA)
where:
Base-Base interactions energy: -248.502
where: short stacking energy: -89.532
Base-Backbone interact. energy: -0.617
local terms energy: -103.758694
where:
bonds (distance) C4'-P energy: -20.223
bonds (distance) P-C4' energy: -22.365
flat angles C4'-P-C4' energy: -23.069
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -27.530
Dist. restrs. and SS energy: 1.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -295.619908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.619908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.186740 (E_RNA)
where:
Base-Base interactions energy: -201.036
where: short stacking energy: -91.199
Base-Backbone interact. energy: -0.792
local terms energy: -98.358631
where:
bonds (distance) C4'-P energy: -24.864
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -22.496
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -24.784
Dist. restrs. and SS energy: 4.567 (S_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: 121
Temperature: 1.150000
Total energy: -282.215092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.215092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.236796 (E_RNA)
where:
Base-Base interactions energy: -189.344
where: short stacking energy: -82.122
Base-Backbone interact. energy: 1.474
local terms energy: -94.367050
where:
bonds (distance) C4'-P energy: -20.571
bonds (distance) P-C4' energy: -21.866
flat angles C4'-P-C4' energy: -20.333
flat angles P-C4'-P energy: -12.948
tors. eta vs tors. theta energy: -18.649
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: 121
Temperature: 1.200000
Total energy: -289.904660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.904660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.945530 (E_RNA)
where:
Base-Base interactions energy: -202.700
where: short stacking energy: -70.412
Base-Backbone interact. energy: -0.187
local terms energy: -89.058391
where:
bonds (distance) C4'-P energy: -22.037
bonds (distance) P-C4' energy: -23.854
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -13.359
Dist. restrs. and SS energy: 2.041 (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: 5
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -282.494334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.494334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.739077 (E_RNA)
where:
Base-Base interactions energy: -184.505
where: short stacking energy: -73.135
Base-Backbone interact. energy: 2.737
local terms energy: -102.970527
where:
bonds (distance) C4'-P energy: -22.777
bonds (distance) P-C4' energy: -23.902
flat angles C4'-P-C4' energy: -22.079
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: -21.127
Dist. restrs. and SS energy: 2.245 (S_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: 121
Temperature: 1.300000
Total energy: -222.104063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.104063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.663782 (E_RNA)
where:
Base-Base interactions energy: -143.452
where: short stacking energy: -60.349
Base-Backbone interact. energy: -0.084
local terms energy: -81.127147
where:
bonds (distance) C4'-P energy: -17.139
bonds (distance) P-C4' energy: -19.186
flat angles C4'-P-C4' energy: -22.222
flat angles P-C4'-P energy: -12.749
tors. eta vs tors. theta energy: -9.832
Dist. restrs. and SS energy: 2.560 (S_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: 121
Temperature: 1.350000
Total energy: -207.743921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.743921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.016919 (E_RNA)
where:
Base-Base interactions energy: -135.625
where: short stacking energy: -59.021
Base-Backbone interact. energy: 0.418
local terms energy: -73.810175
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -25.719
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -14.167
tors. eta vs tors. theta energy: -4.131
Dist. restrs. and SS energy: 1.273 (S_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: 122
Temperature: 0.900000
Total energy: -372.918404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.918404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.227278 (E_RNA)
where:
Base-Base interactions energy: -257.609
where: short stacking energy: -96.612
Base-Backbone interact. energy: -1.442
local terms energy: -115.176380
where:
bonds (distance) C4'-P energy: -19.917
bonds (distance) P-C4' energy: -25.749
flat angles C4'-P-C4' energy: -23.233
flat angles P-C4'-P energy: -18.440
tors. eta vs tors. theta energy: -27.837
Dist. restrs. and SS energy: 1.309 (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: 10
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -356.735088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.735088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.595579 (E_RNA)
where:
Base-Base interactions energy: -246.694
where: short stacking energy: -101.072
Base-Backbone interact. energy: 3.024
local terms energy: -113.925871
where:
bonds (distance) C4'-P energy: -23.866
bonds (distance) P-C4' energy: -20.386
flat angles C4'-P-C4' energy: -25.024
flat angles P-C4'-P energy: -18.022
tors. eta vs tors. theta energy: -26.629
Dist. restrs. and SS energy: 0.860 (S_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: 122
Temperature: 1.000000
Total energy: -355.107666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.107666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.350683 (E_RNA)
where:
Base-Base interactions energy: -239.924
where: short stacking energy: -96.329
Base-Backbone interact. energy: -1.216
local terms energy: -115.211006
where:
bonds (distance) C4'-P energy: -21.530
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -22.699
flat angles P-C4'-P energy: -20.581
tors. eta vs tors. theta energy: -29.874
Dist. restrs. and SS energy: 1.243 (S_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: 122
Temperature: 1.050000
Total energy: -345.534435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.534435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.031367 (E_RNA)
where:
Base-Base interactions energy: -245.604
where: short stacking energy: -93.896
Base-Backbone interact. energy: 1.301
local terms energy: -102.728312
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -21.648
flat angles C4'-P-C4' energy: -23.660
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -29.310
Dist. restrs. and SS energy: 1.497 (S_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: 122
Temperature: 1.100000
Total energy: -295.660535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.660535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.674363 (E_RNA)
where:
Base-Base interactions energy: -198.649
where: short stacking energy: -69.337
Base-Backbone interact. energy: 1.346
local terms energy: -98.371199
where:
bonds (distance) C4'-P energy: -19.399
bonds (distance) P-C4' energy: -21.879
flat angles C4'-P-C4' energy: -23.911
flat angles P-C4'-P energy: -16.756
tors. eta vs tors. theta energy: -16.426
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: 1
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -282.862698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.862698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.710726 (E_RNA)
where:
Base-Base interactions energy: -190.581
where: short stacking energy: -86.202
Base-Backbone interact. energy: -0.758
local terms energy: -98.371518
where:
bonds (distance) C4'-P energy: -22.815
bonds (distance) P-C4' energy: -25.047
flat angles C4'-P-C4' energy: -22.515
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -18.533
Dist. restrs. and SS energy: 6.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -272.779561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.779561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.471922 (E_RNA)
where:
Base-Base interactions energy: -190.848
where: short stacking energy: -75.323
Base-Backbone interact. energy: 1.085
local terms energy: -86.708572
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -21.766
flat angles C4'-P-C4' energy: -22.579
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -20.601
Dist. restrs. and SS energy: 3.692 (S_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: 122
Temperature: 1.250000
Total energy: -243.676036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.676036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.510038 (E_RNA)
where:
Base-Base interactions energy: -167.095
where: short stacking energy: -65.549
Base-Backbone interact. energy: -0.508
local terms energy: -77.906893
where:
bonds (distance) C4'-P energy: -17.578
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -19.689
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -13.117
Dist. restrs. and SS energy: 1.834 (S_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: 122
Temperature: 1.300000
Total energy: -229.387320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.387320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.662337 (E_RNA)
where:
Base-Base interactions energy: -153.686
where: short stacking energy: -61.328
Base-Backbone interact. energy: -0.430
local terms energy: -77.546433
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -18.152
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -14.418
tors. eta vs tors. theta energy: -11.917
Dist. restrs. and SS energy: 2.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -191.779024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.779024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.215263 (E_RNA)
where:
Base-Base interactions energy: -128.458
where: short stacking energy: -53.495
Base-Backbone interact. energy: 0.124
local terms energy: -64.880848
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -23.964
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -2.206
Dist. restrs. and SS energy: 1.436 (S_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: 123
Temperature: 0.900000
Total energy: -375.574528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.574528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.011251 (E_RNA)
where:
Base-Base interactions energy: -261.599
where: short stacking energy: -93.291
Base-Backbone interact. energy: -0.591
local terms energy: -114.822014
where:
bonds (distance) C4'-P energy: -22.494
bonds (distance) P-C4' energy: -25.520
flat angles C4'-P-C4' energy: -22.677
flat angles P-C4'-P energy: -16.588
tors. eta vs tors. theta energy: -27.544
Dist. restrs. and SS energy: 1.437 (S_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: 123
Temperature: 0.950000
Total energy: -368.214047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.214047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.435243 (E_RNA)
where:
Base-Base interactions energy: -256.715
where: short stacking energy: -102.866
Base-Backbone interact. energy: -0.396
local terms energy: -111.324500
where:
bonds (distance) C4'-P energy: -23.162
bonds (distance) P-C4' energy: -20.755
flat angles C4'-P-C4' energy: -21.046
flat angles P-C4'-P energy: -17.167
tors. eta vs tors. theta energy: -29.195
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: 10
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -356.947773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.947773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.730778 (E_RNA)
where:
Base-Base interactions energy: -248.237
where: short stacking energy: -97.989
Base-Backbone interact. energy: 1.129
local terms energy: -111.622689
where:
bonds (distance) C4'-P energy: -22.831
bonds (distance) P-C4' energy: -22.111
flat angles C4'-P-C4' energy: -26.736
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -25.301
Dist. restrs. and SS energy: 1.783 (S_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: 123
Temperature: 1.050000
Total energy: -339.408175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.408175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.275795 (E_RNA)
where:
Base-Base interactions energy: -230.223
where: short stacking energy: -96.198
Base-Backbone interact. energy: -1.254
local terms energy: -108.798441
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -24.701
flat angles C4'-P-C4' energy: -20.002
flat angles P-C4'-P energy: -15.230
tors. eta vs tors. theta energy: -30.150
Dist. restrs. and SS energy: 0.868 (S_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: 123
Temperature: 1.100000
Total energy: -301.304568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.304568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.376124 (E_RNA)
where:
Base-Base interactions energy: -200.639
where: short stacking energy: -79.633
Base-Backbone interact. energy: -0.668
local terms energy: -100.069089
where:
bonds (distance) C4'-P energy: -22.304
bonds (distance) P-C4' energy: -28.160
flat angles C4'-P-C4' energy: -18.372
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -20.304
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: 6, replica: 8
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -283.526269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.526269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.724856 (E_RNA)
where:
Base-Base interactions energy: -196.573
where: short stacking energy: -87.074
Base-Backbone interact. energy: -1.603
local terms energy: -87.548531
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -13.639
flat angles C4'-P-C4' energy: -21.321
flat angles P-C4'-P energy: -19.663
tors. eta vs tors. theta energy: -18.624
Dist. restrs. and SS energy: 2.199 (S_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: -292.459945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.459945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.538729 (E_RNA)
where:
Base-Base interactions energy: -204.577
where: short stacking energy: -76.954
Base-Backbone interact. energy: -0.115
local terms energy: -88.846560
where:
bonds (distance) C4'-P energy: -21.978
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -20.462
Dist. restrs. and SS energy: 1.079 (S_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: 123
Temperature: 1.250000
Total energy: -228.876004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.876004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.566097 (E_RNA)
where:
Base-Base interactions energy: -156.675
where: short stacking energy: -59.357
Base-Backbone interact. energy: -0.647
local terms energy: -73.244384
where:
bonds (distance) C4'-P energy: -11.745
bonds (distance) P-C4' energy: -18.493
flat angles C4'-P-C4' energy: -18.722
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -12.261
Dist. restrs. and SS energy: 1.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -252.147260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.147260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.072152 (E_RNA)
where:
Base-Base interactions energy: -166.224
where: short stacking energy: -63.392
Base-Backbone interact. energy: -0.572
local terms energy: -86.275861
where:
bonds (distance) C4'-P energy: -20.879
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -25.916
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -7.503
Dist. restrs. and SS energy: 0.925 (S_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: 123
Temperature: 1.350000
Total energy: -198.048231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.048231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.405374 (E_RNA)
where:
Base-Base interactions energy: -128.973
where: short stacking energy: -43.853
Base-Backbone interact. energy: -0.465
local terms energy: -70.967303
where:
bonds (distance) C4'-P energy: -21.212
bonds (distance) P-C4' energy: -21.621
flat angles C4'-P-C4' energy: -17.329
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: 0.362
Dist. restrs. and SS energy: 2.357 (S_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: 124
Temperature: 0.900000
Total energy: -375.426652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.426652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.037991 (E_RNA)
where:
Base-Base interactions energy: -267.321
where: short stacking energy: -98.717
Base-Backbone interact. energy: -1.026
local terms energy: -108.691260
where:
bonds (distance) C4'-P energy: -16.502
bonds (distance) P-C4' energy: -22.416
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -14.326
tors. eta vs tors. theta energy: -30.484
Dist. restrs. and SS energy: 1.611 (S_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: 124
Temperature: 0.950000
Total energy: -363.582493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.582493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.782661 (E_RNA)
where:
Base-Base interactions energy: -256.993
where: short stacking energy: -99.511
Base-Backbone interact. energy: -1.755
local terms energy: -106.034968
where:
bonds (distance) C4'-P energy: -17.964
bonds (distance) P-C4' energy: -21.696
flat angles C4'-P-C4' energy: -26.897
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: -26.162
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: 3, replica: 9
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -354.498180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.498180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.371187 (E_RNA)
where:
Base-Base interactions energy: -245.430
where: short stacking energy: -94.982
Base-Backbone interact. energy: -0.090
local terms energy: -109.851282
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -23.250
flat angles C4'-P-C4' energy: -22.588
flat angles P-C4'-P energy: -18.595
tors. eta vs tors. theta energy: -27.249
Dist. restrs. and SS energy: 0.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -341.373272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.373272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.810697 (E_RNA)
where:
Base-Base interactions energy: -234.205
where: short stacking energy: -95.194
Base-Backbone interact. energy: -0.776
local terms energy: -106.829228
where:
bonds (distance) C4'-P energy: -21.663
bonds (distance) P-C4' energy: -20.919
flat angles C4'-P-C4' energy: -24.290
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -27.971
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: 5, replica: 8
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -294.247394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.247394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.292309 (E_RNA)
where:
Base-Base interactions energy: -204.887
where: short stacking energy: -78.500
Base-Backbone interact. energy: -0.671
local terms energy: -91.734294
where:
bonds (distance) C4'-P energy: -20.791
bonds (distance) P-C4' energy: -22.541
flat angles C4'-P-C4' energy: -20.636
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -18.393
Dist. restrs. and SS energy: 3.045 (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: 3
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -269.106851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.106851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.249698 (E_RNA)
where:
Base-Base interactions energy: -187.929
where: short stacking energy: -71.188
Base-Backbone interact. energy: 1.569
local terms energy: -82.889542
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -23.584
flat angles C4'-P-C4' energy: -18.022
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -13.740
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: 7, replica: 1
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -263.087674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.087674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.681098 (E_RNA)
where:
Base-Base interactions energy: -181.015
where: short stacking energy: -77.016
Base-Backbone interact. energy: -1.035
local terms energy: -82.630577
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -17.334
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -20.376
Dist. restrs. and SS energy: 1.593 (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: 7
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -213.567952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.567952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.062552 (E_RNA)
where:
Base-Base interactions energy: -133.209
where: short stacking energy: -60.228
Base-Backbone interact. energy: 1.805
local terms energy: -89.658920
where:
bonds (distance) C4'-P energy: -23.874
bonds (distance) P-C4' energy: -26.037
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -13.326
Dist. restrs. and SS energy: 7.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -247.838858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.838858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.691446 (E_RNA)
where:
Base-Base interactions energy: -154.709
where: short stacking energy: -60.887
Base-Backbone interact. energy: -0.322
local terms energy: -95.660465
where:
bonds (distance) C4'-P energy: -22.010
bonds (distance) P-C4' energy: -22.791
flat angles C4'-P-C4' energy: -18.532
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -17.073
Dist. restrs. and SS energy: 2.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -219.480413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.480413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.867876 (E_RNA)
where:
Base-Base interactions energy: -155.144
where: short stacking energy: -73.259
Base-Backbone interact. energy: -0.335
local terms energy: -65.389434
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -11.735
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -15.242
Dist. restrs. and SS energy: 1.387 (S_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: 125
Temperature: 0.900000
Total energy: -372.272954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.272954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.648308 (E_RNA)
where:
Base-Base interactions energy: -266.657
where: short stacking energy: -86.906
Base-Backbone interact. energy: -1.403
local terms energy: -104.587744
where:
bonds (distance) C4'-P energy: -16.365
bonds (distance) P-C4' energy: -26.117
flat angles C4'-P-C4' energy: -22.308
flat angles P-C4'-P energy: -16.172
tors. eta vs tors. theta energy: -23.627
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: 2, replica: 9
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -362.298062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.298062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.115526 (E_RNA)
where:
Base-Base interactions energy: -247.972
where: short stacking energy: -92.007
Base-Backbone interact. energy: -1.100
local terms energy: -115.043512
where:
bonds (distance) C4'-P energy: -21.920
bonds (distance) P-C4' energy: -24.287
flat angles C4'-P-C4' energy: -22.620
flat angles P-C4'-P energy: -17.157
tors. eta vs tors. theta energy: -29.060
Dist. restrs. and SS energy: 1.817 (S_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: 125
Temperature: 1.000000
Total energy: -354.597179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.597179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.094163 (E_RNA)
where:
Base-Base interactions energy: -249.360
where: short stacking energy: -93.652
Base-Backbone interact. energy: -0.695
local terms energy: -105.038728
where:
bonds (distance) C4'-P energy: -20.131
bonds (distance) P-C4' energy: -19.645
flat angles C4'-P-C4' energy: -23.265
flat angles P-C4'-P energy: -15.323
tors. eta vs tors. theta energy: -26.675
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: 4, replica: 10
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -342.745990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.745990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.712478 (E_RNA)
where:
Base-Base interactions energy: -233.661
where: short stacking energy: -90.163
Base-Backbone interact. energy: -0.328
local terms energy: -109.722980
where:
bonds (distance) C4'-P energy: -21.440
bonds (distance) P-C4' energy: -26.654
flat angles C4'-P-C4' energy: -19.058
flat angles P-C4'-P energy: -17.244
tors. eta vs tors. theta energy: -25.327
Dist. restrs. and SS energy: 0.966 (S_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: 125
Temperature: 1.100000
Total energy: -310.096004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.096004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.011551 (E_RNA)
where:
Base-Base interactions energy: -215.513
where: short stacking energy: -84.735
Base-Backbone interact. energy: -0.561
local terms energy: -98.938082
where:
bonds (distance) C4'-P energy: -18.427
bonds (distance) P-C4' energy: -21.589
flat angles C4'-P-C4' energy: -25.594
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -21.451
Dist. restrs. and SS energy: 4.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -264.143760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.143760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.762306 (E_RNA)
where:
Base-Base interactions energy: -178.788
where: short stacking energy: -74.441
Base-Backbone interact. energy: -0.912
local terms energy: -88.061926
where:
bonds (distance) C4'-P energy: -17.775
bonds (distance) P-C4' energy: -23.455
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -17.144
Dist. restrs. and SS energy: 3.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -273.319752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.319752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.019370 (E_RNA)
where:
Base-Base interactions energy: -179.182
where: short stacking energy: -68.987
Base-Backbone interact. energy: -0.237
local terms energy: -99.600406
where:
bonds (distance) C4'-P energy: -20.799
bonds (distance) P-C4' energy: -22.307
flat angles C4'-P-C4' energy: -23.048
flat angles P-C4'-P energy: -16.849
tors. eta vs tors. theta energy: -16.597
Dist. restrs. and SS energy: 5.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -267.748766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.748766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.450208 (E_RNA)
where:
Base-Base interactions energy: -181.782
where: short stacking energy: -76.882
Base-Backbone interact. energy: -0.297
local terms energy: -88.371318
where:
bonds (distance) C4'-P energy: -20.524
bonds (distance) P-C4' energy: -19.767
flat angles C4'-P-C4' energy: -19.222
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -20.186
Dist. restrs. and SS energy: 2.701 (S_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: 125
Temperature: 1.300000
Total energy: -213.851837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.851837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.156857 (E_RNA)
where:
Base-Base interactions energy: -151.947
where: short stacking energy: -57.094
Base-Backbone interact. energy: -1.224
local terms energy: -63.985501
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -20.272
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -7.158
Dist. restrs. and SS energy: 3.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -229.258990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.258990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.554221 (E_RNA)
where:
Base-Base interactions energy: -155.045
where: short stacking energy: -54.903
Base-Backbone interact. energy: -0.183
local terms energy: -74.326762
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -19.383
flat angles C4'-P-C4' energy: -19.040
flat angles P-C4'-P energy: -14.963
tors. eta vs tors. theta energy: -8.800
Dist. restrs. and SS energy: 0.295 (S_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: 126
Temperature: 0.900000
Total energy: -379.283168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.283168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.686552 (E_RNA)
where:
Base-Base interactions energy: -270.846
where: short stacking energy: -95.631
Base-Backbone interact. energy: -1.070
local terms energy: -108.770160
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -25.942
flat angles C4'-P-C4' energy: -23.094
flat angles P-C4'-P energy: -17.220
tors. eta vs tors. theta energy: -24.515
Dist. restrs. and SS energy: 1.403 (S_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: 126
Temperature: 0.950000
Total energy: -367.852512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.852512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.578332 (E_RNA)
where:
Base-Base interactions energy: -253.876
where: short stacking energy: -97.798
Base-Backbone interact. energy: -0.962
local terms energy: -113.740098
where:
bonds (distance) C4'-P energy: -17.541
bonds (distance) P-C4' energy: -21.438
flat angles C4'-P-C4' energy: -24.950
flat angles P-C4'-P energy: -16.943
tors. eta vs tors. theta energy: -32.867
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: 3, replica: 10
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -349.668821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.668821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.930201 (E_RNA)
where:
Base-Base interactions energy: -243.312
where: short stacking energy: -92.058
Base-Backbone interact. energy: -0.571
local terms energy: -107.047264
where:
bonds (distance) C4'-P energy: -22.707
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -22.182
flat angles P-C4'-P energy: -15.053
tors. eta vs tors. theta energy: -29.392
Dist. restrs. and SS energy: 1.261 (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: 4
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -338.027043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.027043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.016080 (E_RNA)
where:
Base-Base interactions energy: -235.548
where: short stacking energy: -88.742
Base-Backbone interact. energy: -1.139
local terms energy: -103.328589
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -24.440
flat angles C4'-P-C4' energy: -24.539
flat angles P-C4'-P energy: -13.472
tors. eta vs tors. theta energy: -27.332
Dist. restrs. and SS energy: 1.989 (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: 8
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -310.924257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.924257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.711465 (E_RNA)
where:
Base-Base interactions energy: -219.965
where: short stacking energy: -93.553
Base-Backbone interact. energy: -0.076
local terms energy: -100.669850
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -23.368
flat angles P-C4'-P energy: -14.197
tors. eta vs tors. theta energy: -28.538
Dist. restrs. and SS energy: 9.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -260.293981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.293981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.737511 (E_RNA)
where:
Base-Base interactions energy: -169.730
where: short stacking energy: -67.218
Base-Backbone interact. energy: -0.434
local terms energy: -92.573434
where:
bonds (distance) C4'-P energy: -22.231
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -24.428
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -14.074
Dist. restrs. and SS energy: 2.444 (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: 6
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -298.663117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.663117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.833486 (E_RNA)
where:
Base-Base interactions energy: -198.917
where: short stacking energy: -78.517
Base-Backbone interact. energy: -2.144
local terms energy: -99.771828
where:
bonds (distance) C4'-P energy: -22.335
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -21.861
flat angles P-C4'-P energy: -15.750
tors. eta vs tors. theta energy: -21.573
Dist. restrs. and SS energy: 2.170 (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: 3
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -246.483355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.483355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.371313 (E_RNA)
where:
Base-Base interactions energy: -175.141
where: short stacking energy: -65.183
Base-Backbone interact. energy: 0.313
local terms energy: -73.542724
where:
bonds (distance) C4'-P energy: -22.040
bonds (distance) P-C4' energy: -19.624
flat angles C4'-P-C4' energy: -23.504
flat angles P-C4'-P energy: 2.313
tors. eta vs tors. theta energy: -10.688
Dist. restrs. and SS energy: 1.888 (S_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: 126
Temperature: 1.300000
Total energy: -219.559792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.559792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.157189 (E_RNA)
where:
Base-Base interactions energy: -147.964
where: short stacking energy: -67.179
Base-Backbone interact. energy: -1.887
local terms energy: -70.306159
where:
bonds (distance) C4'-P energy: -11.260
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -20.596
flat angles P-C4'-P energy: -7.224
tors. eta vs tors. theta energy: -14.581
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: 7
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -213.447882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.447882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.314657 (E_RNA)
where:
Base-Base interactions energy: -132.811
where: short stacking energy: -48.642
Base-Backbone interact. energy: -0.583
local terms energy: -81.920462
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -24.768
flat angles C4'-P-C4' energy: -24.657
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -10.579
Dist. restrs. and SS energy: 1.867 (S_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: 127
Temperature: 0.900000
Total energy: -367.233777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.233777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.488378 (E_RNA)
where:
Base-Base interactions energy: -259.894
where: short stacking energy: -87.819
Base-Backbone interact. energy: -0.696
local terms energy: -107.898128
where:
bonds (distance) C4'-P energy: -21.176
bonds (distance) P-C4' energy: -21.404
flat angles C4'-P-C4' energy: -22.117
flat angles P-C4'-P energy: -18.113
tors. eta vs tors. theta energy: -25.088
Dist. restrs. and SS energy: 1.255 (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: 9
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -351.339317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.339317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.112565 (E_RNA)
where:
Base-Base interactions energy: -247.320
where: short stacking energy: -94.086
Base-Backbone interact. energy: 0.537
local terms energy: -105.330096
where:
bonds (distance) C4'-P energy: -21.663
bonds (distance) P-C4' energy: -26.418
flat angles C4'-P-C4' energy: -18.156
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -26.867
Dist. restrs. and SS energy: 0.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -366.179059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.179059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.327046 (E_RNA)
where:
Base-Base interactions energy: -259.180
where: short stacking energy: -94.294
Base-Backbone interact. energy: -1.347
local terms energy: -106.800071
where:
bonds (distance) C4'-P energy: -18.397
bonds (distance) P-C4' energy: -24.564
flat angles C4'-P-C4' energy: -19.560
flat angles P-C4'-P energy: -16.316
tors. eta vs tors. theta energy: -27.962
Dist. restrs. and SS energy: 1.148 (S_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: 127
Temperature: 1.050000
Total energy: -341.037731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.037731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.376666 (E_RNA)
where:
Base-Base interactions energy: -240.045
where: short stacking energy: -83.442
Base-Backbone interact. energy: 0.008
local terms energy: -102.339376
where:
bonds (distance) C4'-P energy: -18.861
bonds (distance) P-C4' energy: -25.462
flat angles C4'-P-C4' energy: -19.318
flat angles P-C4'-P energy: -14.900
tors. eta vs tors. theta energy: -23.799
Dist. restrs. and SS energy: 1.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -301.525042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.525042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.020425 (E_RNA)
where:
Base-Base interactions energy: -214.963
where: short stacking energy: -91.378
Base-Backbone interact. energy: 3.481
local terms energy: -94.538920
where:
bonds (distance) C4'-P energy: -19.037
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -17.092
tors. eta vs tors. theta energy: -23.678
Dist. restrs. and SS energy: 4.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -292.258731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.258731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.372674 (E_RNA)
where:
Base-Base interactions energy: -188.387
where: short stacking energy: -69.964
Base-Backbone interact. energy: -1.616
local terms energy: -102.370269
where:
bonds (distance) C4'-P energy: -23.411
bonds (distance) P-C4' energy: -23.951
flat angles C4'-P-C4' energy: -25.359
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -17.125
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: 7, replica: 6
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -274.131853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.131853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.767649 (E_RNA)
where:
Base-Base interactions energy: -186.413
where: short stacking energy: -75.470
Base-Backbone interact. energy: -0.795
local terms energy: -88.559549
where:
bonds (distance) C4'-P energy: -21.092
bonds (distance) P-C4' energy: -18.437
flat angles C4'-P-C4' energy: -18.549
flat angles P-C4'-P energy: -13.538
tors. eta vs tors. theta energy: -16.942
Dist. restrs. and SS energy: 1.636 (S_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: 127
Temperature: 1.250000
Total energy: -238.353627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.353627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.898741 (E_RNA)
where:
Base-Base interactions energy: -166.767
where: short stacking energy: -53.994
Base-Backbone interact. energy: -1.874
local terms energy: -70.257381
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -17.351
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: -10.678
Dist. restrs. and SS energy: 0.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -239.202688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.202688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.286708 (E_RNA)
where:
Base-Base interactions energy: -156.561
where: short stacking energy: -62.639
Base-Backbone interact. energy: -1.279
local terms energy: -86.446525
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -16.965
flat angles C4'-P-C4' energy: -22.239
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -19.380
Dist. restrs. and SS energy: 5.084 (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: 127
Temperature: 1.350000
Total energy: -209.544204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.544204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.404353 (E_RNA)
where:
Base-Base interactions energy: -137.720
where: short stacking energy: -53.462
Base-Backbone interact. energy: 1.161
local terms energy: -74.844970
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -18.074
flat angles C4'-P-C4' energy: -20.234
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -8.043
Dist. restrs. and SS energy: 1.860 (S_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: 128
Temperature: 0.900000
Total energy: -365.279708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.279708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.072865 (E_RNA)
where:
Base-Base interactions energy: -259.581
where: short stacking energy: -100.485
Base-Backbone interact. energy: 0.961
local terms energy: -108.452893
where:
bonds (distance) C4'-P energy: -21.084
bonds (distance) P-C4' energy: -20.214
flat angles C4'-P-C4' energy: -22.439
flat angles P-C4'-P energy: -15.972
tors. eta vs tors. theta energy: -28.743
Dist. restrs. and SS energy: 1.793 (S_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: 128
Temperature: 0.950000
Total energy: -366.850596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.850596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.381913 (E_RNA)
where:
Base-Base interactions energy: -253.232
where: short stacking energy: -100.033
Base-Backbone interact. energy: -1.209
local terms energy: -113.941490
where:
bonds (distance) C4'-P energy: -24.865
bonds (distance) P-C4' energy: -21.704
flat angles C4'-P-C4' energy: -22.669
flat angles P-C4'-P energy: -15.212
tors. eta vs tors. theta energy: -29.491
Dist. restrs. and SS energy: 1.531 (S_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: 128
Temperature: 1.000000
Total energy: -344.908758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.908758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.498023 (E_RNA)
where:
Base-Base interactions energy: -245.693
where: short stacking energy: -90.617
Base-Backbone interact. energy: -0.537
local terms energy: -100.267890
where:
bonds (distance) C4'-P energy: -21.155
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -21.994
flat angles P-C4'-P energy: -17.717
tors. eta vs tors. theta energy: -23.192
Dist. restrs. and SS energy: 1.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -350.113737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.113737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.146672 (E_RNA)
where:
Base-Base interactions energy: -255.659
where: short stacking energy: -94.982
Base-Backbone interact. energy: -0.728
local terms energy: -94.759635
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -20.927
flat angles P-C4'-P energy: -21.008
tors. eta vs tors. theta energy: -27.647
Dist. restrs. and SS energy: 1.033 (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: 8
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -304.053344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.053344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.820068 (E_RNA)
where:
Base-Base interactions energy: -198.868
where: short stacking energy: -87.030
Base-Backbone interact. energy: 0.158
local terms energy: -107.110643
where:
bonds (distance) C4'-P energy: -21.311
bonds (distance) P-C4' energy: -20.351
flat angles C4'-P-C4' energy: -24.797
flat angles P-C4'-P energy: -15.924
tors. eta vs tors. theta energy: -24.728
Dist. restrs. and SS energy: 1.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -300.745368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.745368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.778923 (E_RNA)
where:
Base-Base interactions energy: -207.418
where: short stacking energy: -80.566
Base-Backbone interact. energy: -0.657
local terms energy: -93.703538
where:
bonds (distance) C4'-P energy: -19.526
bonds (distance) P-C4' energy: -22.167
flat angles C4'-P-C4' energy: -19.268
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -19.697
Dist. restrs. and SS energy: 1.034 (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: 5
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -273.298167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.298167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.212219 (E_RNA)
where:
Base-Base interactions energy: -180.562
where: short stacking energy: -68.939
Base-Backbone interact. energy: -0.932
local terms energy: -93.718266
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -24.429
flat angles C4'-P-C4' energy: -22.835
flat angles P-C4'-P energy: -15.079
tors. eta vs tors. theta energy: -14.987
Dist. restrs. and SS energy: 1.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -256.225091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.225091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.105893 (E_RNA)
where:
Base-Base interactions energy: -175.085
where: short stacking energy: -66.437
Base-Backbone interact. energy: -1.510
local terms energy: -88.511236
where:
bonds (distance) C4'-P energy: -23.311
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -18.635
flat angles P-C4'-P energy: -14.688
tors. eta vs tors. theta energy: -19.606
Dist. restrs. and SS energy: 8.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -246.822234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.822234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.454513 (E_RNA)
where:
Base-Base interactions energy: -158.059
where: short stacking energy: -53.219
Base-Backbone interact. energy: -0.968
local terms energy: -89.426987
where:
bonds (distance) C4'-P energy: -24.722
bonds (distance) P-C4' energy: -22.806
flat angles C4'-P-C4' energy: -19.462
flat angles P-C4'-P energy: -15.235
tors. eta vs tors. theta energy: -7.202
Dist. restrs. and SS energy: 1.632 (S_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: 128
Temperature: 1.350000
Total energy: -224.030496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.030496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.344101 (E_RNA)
where:
Base-Base interactions energy: -152.223
where: short stacking energy: -67.316
Base-Backbone interact. energy: -0.318
local terms energy: -76.802758
where:
bonds (distance) C4'-P energy: -16.861
bonds (distance) P-C4' energy: -23.659
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -12.403
Dist. restrs. and SS energy: 5.314 (S_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: 129
Temperature: 0.900000
Total energy: -368.929243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.929243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.983182 (E_RNA)
where:
Base-Base interactions energy: -252.378
where: short stacking energy: -95.686
Base-Backbone interact. energy: -0.858
local terms energy: -116.747000
where:
bonds (distance) C4'-P energy: -21.017
bonds (distance) P-C4' energy: -25.547
flat angles C4'-P-C4' energy: -24.848
flat angles P-C4'-P energy: -16.587
tors. eta vs tors. theta energy: -28.747
Dist. restrs. and SS energy: 1.054 (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: 129
Temperature: 0.950000
Total energy: -348.747394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.747394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.373707 (E_RNA)
where:
Base-Base interactions energy: -240.127
where: short stacking energy: -102.191
Base-Backbone interact. energy: -0.322
local terms energy: -108.924495
where:
bonds (distance) C4'-P energy: -21.193
bonds (distance) P-C4' energy: -23.141
flat angles C4'-P-C4' energy: -22.344
flat angles P-C4'-P energy: -16.005
tors. eta vs tors. theta energy: -26.242
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: 3, replica: 2
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -358.299978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.299978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.491199 (E_RNA)
where:
Base-Base interactions energy: -259.233
where: short stacking energy: -95.077
Base-Backbone interact. energy: 0.702
local terms energy: -100.960092
where:
bonds (distance) C4'-P energy: -21.162
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -12.971
tors. eta vs tors. theta energy: -29.218
Dist. restrs. and SS energy: 1.191 (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: 129
Temperature: 1.050000
Total energy: -340.670270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.670270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.503553 (E_RNA)
where:
Base-Base interactions energy: -246.001
where: short stacking energy: -87.415
Base-Backbone interact. energy: -0.852
local terms energy: -95.650552
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -21.670
flat angles C4'-P-C4' energy: -21.979
flat angles P-C4'-P energy: -17.698
tors. eta vs tors. theta energy: -21.664
Dist. restrs. and SS energy: 1.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -298.448972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.448972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.057684 (E_RNA)
where:
Base-Base interactions energy: -204.065
where: short stacking energy: -77.734
Base-Backbone interact. energy: -0.808
local terms energy: -95.184762
where:
bonds (distance) C4'-P energy: -16.646
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -22.529
flat angles P-C4'-P energy: -16.129
tors. eta vs tors. theta energy: -17.929
Dist. restrs. and SS energy: 1.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -294.810314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.810314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.828650 (E_RNA)
where:
Base-Base interactions energy: -201.929
where: short stacking energy: -85.435
Base-Backbone interact. energy: -0.375
local terms energy: -94.524386
where:
bonds (distance) C4'-P energy: -20.357
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -22.232
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -22.560
Dist. restrs. and SS energy: 2.018 (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: 5
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -308.642528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.642528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.543488 (E_RNA)
where:
Base-Base interactions energy: -214.706
where: short stacking energy: -70.310
Base-Backbone interact. energy: -2.293
local terms energy: -93.543602
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -19.145
flat angles P-C4'-P energy: -18.960
tors. eta vs tors. theta energy: -22.122
Dist. restrs. and SS energy: 1.901 (S_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: 129
Temperature: 1.250000
Total energy: -247.253416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.253416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.528554 (E_RNA)
where:
Base-Base interactions energy: -172.057
where: short stacking energy: -60.388
Base-Backbone interact. energy: -0.243
local terms energy: -76.228119
where:
bonds (distance) C4'-P energy: -18.737
bonds (distance) P-C4' energy: -20.117
flat angles C4'-P-C4' energy: -18.571
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -10.745
Dist. restrs. and SS energy: 1.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -238.516152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.516152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.212058 (E_RNA)
where:
Base-Base interactions energy: -166.634
where: short stacking energy: -63.650
Base-Backbone interact. energy: 1.078
local terms energy: -77.656084
where:
bonds (distance) C4'-P energy: -18.323
bonds (distance) P-C4' energy: -12.236
flat angles C4'-P-C4' energy: -22.580
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -13.944
Dist. restrs. and SS energy: 4.696 (S_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: 129
Temperature: 1.350000
Total energy: -202.188290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.188290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.481440 (E_RNA)
where:
Base-Base interactions energy: -129.766
where: short stacking energy: -56.044
Base-Backbone interact. energy: -1.215
local terms energy: -75.500599
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -26.476
flat angles C4'-P-C4' energy: -21.490
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -7.088
Dist. restrs. and SS energy: 4.293 (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: 4
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -370.790007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.790007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.191949 (E_RNA)
where:
Base-Base interactions energy: -254.017
where: short stacking energy: -104.835
Base-Backbone interact. energy: -1.024
local terms energy: -116.151336
where:
bonds (distance) C4'-P energy: -20.499
bonds (distance) P-C4' energy: -25.533
flat angles C4'-P-C4' energy: -23.630
flat angles P-C4'-P energy: -16.598
tors. eta vs tors. theta energy: -29.891
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: 2, replica: 9
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -360.617244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.617244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.832746 (E_RNA)
where:
Base-Base interactions energy: -253.109
where: short stacking energy: -98.900
Base-Backbone interact. energy: 2.038
local terms energy: -110.762319
where:
bonds (distance) C4'-P energy: -20.791
bonds (distance) P-C4' energy: -23.459
flat angles C4'-P-C4' energy: -22.656
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -31.414
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: 3, replica: 10
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -351.869656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.869656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.645535 (E_RNA)
where:
Base-Base interactions energy: -241.197
where: short stacking energy: -92.048
Base-Backbone interact. energy: -1.469
local terms energy: -109.980060
where:
bonds (distance) C4'-P energy: -18.112
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -23.447
flat angles P-C4'-P energy: -19.169
tors. eta vs tors. theta energy: -31.539
Dist. restrs. and SS energy: 0.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -315.959730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.959730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.051543 (E_RNA)
where:
Base-Base interactions energy: -209.039
where: short stacking energy: -89.352
Base-Backbone interact. energy: -2.748
local terms energy: -104.265328
where:
bonds (distance) C4'-P energy: -19.695
bonds (distance) P-C4' energy: -21.389
flat angles C4'-P-C4' energy: -22.006
flat angles P-C4'-P energy: -17.449
tors. eta vs tors. theta energy: -23.726
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: 5, replica: 8
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -294.397686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.397686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.851581 (E_RNA)
where:
Base-Base interactions energy: -202.054
where: short stacking energy: -81.991
Base-Backbone interact. energy: -0.574
local terms energy: -95.223044
where:
bonds (distance) C4'-P energy: -19.416
bonds (distance) P-C4' energy: -20.419
flat angles C4'-P-C4' energy: -22.746
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: -19.400
Dist. restrs. and SS energy: 3.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -263.086853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.086853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.063938 (E_RNA)
where:
Base-Base interactions energy: -172.085
where: short stacking energy: -69.036
Base-Backbone interact. energy: -0.171
local terms energy: -91.808021
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -27.375
flat angles C4'-P-C4' energy: -18.234
flat angles P-C4'-P energy: -14.953
tors. eta vs tors. theta energy: -15.782
Dist. restrs. and SS energy: 0.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -282.067709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.067709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.174404 (E_RNA)
where:
Base-Base interactions energy: -188.745
where: short stacking energy: -66.781
Base-Backbone interact. energy: -1.675
local terms energy: -92.754778
where:
bonds (distance) C4'-P energy: -23.568
bonds (distance) P-C4' energy: -20.311
flat angles C4'-P-C4' energy: -20.598
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -15.374
Dist. restrs. and SS energy: 1.107 (S_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: 130
Temperature: 1.250000
Total energy: -273.588102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.588102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.327308 (E_RNA)
where:
Base-Base interactions energy: -200.682
where: short stacking energy: -83.367
Base-Backbone interact. energy: -1.299
local terms energy: -72.346247
where:
bonds (distance) C4'-P energy: -17.933
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -9.741
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -21.238
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: 9, replica: 6
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -252.387531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.387531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.597976 (E_RNA)
where:
Base-Base interactions energy: -171.237
where: short stacking energy: -67.552
Base-Backbone interact. energy: -0.710
local terms energy: -82.650684
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -19.113
flat angles C4'-P-C4' energy: -20.755
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -15.155
Dist. restrs. and SS energy: 2.210 (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: 130
Temperature: 1.350000
Total energy: -214.096338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.096338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.256381 (E_RNA)
where:
Base-Base interactions energy: -137.483
where: short stacking energy: -54.690
Base-Backbone interact. energy: -0.614
local terms energy: -78.159276
where:
bonds (distance) C4'-P energy: -18.678
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -19.800
flat angles P-C4'-P energy: -14.303
tors. eta vs tors. theta energy: -6.760
Dist. restrs. and SS energy: 2.160 (S_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: 131
Temperature: 0.900000
Total energy: -370.555051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.555051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.791649 (E_RNA)
where:
Base-Base interactions energy: -263.714
where: short stacking energy: -101.396
Base-Backbone interact. energy: 1.796
local terms energy: -109.873317
where:
bonds (distance) C4'-P energy: -23.825
bonds (distance) P-C4' energy: -22.949
flat angles C4'-P-C4' energy: -19.982
flat angles P-C4'-P energy: -17.596
tors. eta vs tors. theta energy: -25.522
Dist. restrs. and SS energy: 1.237 (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: 131
Temperature: 0.950000
Total energy: -367.724002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.724002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.913907 (E_RNA)
where:
Base-Base interactions energy: -243.857
where: short stacking energy: -97.382
Base-Backbone interact. energy: -0.315
local terms energy: -124.742035
where:
bonds (distance) C4'-P energy: -23.146
bonds (distance) P-C4' energy: -26.716
flat angles C4'-P-C4' energy: -22.898
flat angles P-C4'-P energy: -22.699
tors. eta vs tors. theta energy: -29.284
Dist. restrs. and SS energy: 1.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -350.085892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.085892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.534101 (E_RNA)
where:
Base-Base interactions energy: -254.924
where: short stacking energy: -103.181
Base-Backbone interact. energy: 2.038
local terms energy: -98.647805
where:
bonds (distance) C4'-P energy: -20.120
bonds (distance) P-C4' energy: -25.450
flat angles C4'-P-C4' energy: -22.604
flat angles P-C4'-P energy: -3.910
tors. eta vs tors. theta energy: -26.563
Dist. restrs. and SS energy: 1.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -336.645583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.645583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.310249 (E_RNA)
where:
Base-Base interactions energy: -230.192
where: short stacking energy: -90.146
Base-Backbone interact. energy: -0.058
local terms energy: -107.059911
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -24.175
flat angles C4'-P-C4' energy: -26.562
flat angles P-C4'-P energy: -17.410
tors. eta vs tors. theta energy: -21.994
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: 5, replica: 8
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -278.782747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.782747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.148838 (E_RNA)
where:
Base-Base interactions energy: -182.086
where: short stacking energy: -75.436
Base-Backbone interact. energy: -1.487
local terms energy: -97.575436
where:
bonds (distance) C4'-P energy: -20.318
bonds (distance) P-C4' energy: -17.712
flat angles C4'-P-C4' energy: -21.712
flat angles P-C4'-P energy: -19.118
tors. eta vs tors. theta energy: -18.715
Dist. restrs. and SS energy: 2.366 (S_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: 131
Temperature: 1.150000
Total energy: -287.391739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.391739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.061307 (E_RNA)
where:
Base-Base interactions energy: -196.939
where: short stacking energy: -78.636
Base-Backbone interact. energy: -0.773
local terms energy: -93.349816
where:
bonds (distance) C4'-P energy: -23.621
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -18.640
flat angles P-C4'-P energy: -17.831
tors. eta vs tors. theta energy: -15.992
Dist. restrs. and SS energy: 3.670 (S_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: 131
Temperature: 1.200000
Total energy: -283.189938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.189938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.126391 (E_RNA)
where:
Base-Base interactions energy: -182.197
where: short stacking energy: -86.576
Base-Backbone interact. energy: -0.414
local terms energy: -103.515580
where:
bonds (distance) C4'-P energy: -21.035
bonds (distance) P-C4' energy: -22.562
flat angles C4'-P-C4' energy: -20.978
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -26.014
Dist. restrs. and SS energy: 2.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -237.825399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.825399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.604800 (E_RNA)
where:
Base-Base interactions energy: -164.895
where: short stacking energy: -68.319
Base-Backbone interact. energy: -0.591
local terms energy: -73.118902
where:
bonds (distance) C4'-P energy: -21.853
bonds (distance) P-C4' energy: -21.741
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -7.068
tors. eta vs tors. theta energy: -6.051
Dist. restrs. and SS energy: 0.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -251.638273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.638273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.434345 (E_RNA)
where:
Base-Base interactions energy: -163.032
where: short stacking energy: -69.551
Base-Backbone interact. energy: -0.277
local terms energy: -89.124957
where:
bonds (distance) C4'-P energy: -20.917
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -19.154
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -17.400
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: 10, replica: 7
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -205.922799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.922799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.014836 (E_RNA)
where:
Base-Base interactions energy: -128.622
where: short stacking energy: -51.991
Base-Backbone interact. energy: -0.922
local terms energy: -77.470843
where:
bonds (distance) C4'-P energy: -22.689
bonds (distance) P-C4' energy: -12.520
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -15.728
tors. eta vs tors. theta energy: -9.827
Dist. restrs. and SS energy: 1.092 (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: 9
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -362.384620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.384620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.660570 (E_RNA)
where:
Base-Base interactions energy: -242.099
where: short stacking energy: -96.357
Base-Backbone interact. energy: -0.571
local terms energy: -119.990413
where:
bonds (distance) C4'-P energy: -26.246
bonds (distance) P-C4' energy: -22.569
flat angles C4'-P-C4' energy: -22.594
flat angles P-C4'-P energy: -17.063
tors. eta vs tors. theta energy: -31.519
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: 4
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -364.480389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.480389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.321217 (E_RNA)
where:
Base-Base interactions energy: -257.889
where: short stacking energy: -100.489
Base-Backbone interact. energy: -1.408
local terms energy: -106.024458
where:
bonds (distance) C4'-P energy: -21.321
bonds (distance) P-C4' energy: -20.105
flat angles C4'-P-C4' energy: -21.966
flat angles P-C4'-P energy: -16.435
tors. eta vs tors. theta energy: -26.198
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: 3, replica: 2
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -323.595729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.595729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.867950 (E_RNA)
where:
Base-Base interactions energy: -224.647
where: short stacking energy: -92.310
Base-Backbone interact. energy: 5.423
local terms energy: -104.644100
where:
bonds (distance) C4'-P energy: -20.323
bonds (distance) P-C4' energy: -22.651
flat angles C4'-P-C4' energy: -21.099
flat angles P-C4'-P energy: -17.431
tors. eta vs tors. theta energy: -23.140
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: 4, replica: 10
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -344.220612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.220612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.057190 (E_RNA)
where:
Base-Base interactions energy: -239.906
where: short stacking energy: -89.684
Base-Backbone interact. energy: 2.569
local terms energy: -107.719801
where:
bonds (distance) C4'-P energy: -21.216
bonds (distance) P-C4' energy: -23.472
flat angles C4'-P-C4' energy: -22.603
flat angles P-C4'-P energy: -14.317
tors. eta vs tors. theta energy: -26.111
Dist. restrs. and SS energy: 0.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -269.455529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.455529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.707464 (E_RNA)
where:
Base-Base interactions energy: -179.159
where: short stacking energy: -56.811
Base-Backbone interact. energy: -1.735
local terms energy: -88.814067
where:
bonds (distance) C4'-P energy: -21.296
bonds (distance) P-C4' energy: -23.164
flat angles C4'-P-C4' energy: -21.991
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -10.820
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: 6, replica: 8
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -282.100424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.100424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.287774 (E_RNA)
where:
Base-Base interactions energy: -187.439
where: short stacking energy: -78.745
Base-Backbone interact. energy: -1.731
local terms energy: -97.118260
where:
bonds (distance) C4'-P energy: -19.422
bonds (distance) P-C4' energy: -21.555
flat angles C4'-P-C4' energy: -24.954
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -18.284
Dist. restrs. and SS energy: 4.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -251.722818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.722818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.907495 (E_RNA)
where:
Base-Base interactions energy: -167.640
where: short stacking energy: -65.336
Base-Backbone interact. energy: -0.227
local terms energy: -86.040615
where:
bonds (distance) C4'-P energy: -17.072
bonds (distance) P-C4' energy: -21.241
flat angles C4'-P-C4' energy: -18.852
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -14.990
Dist. restrs. and SS energy: 2.185 (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: 1
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -243.815770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.815770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.706795 (E_RNA)
where:
Base-Base interactions energy: -164.022
where: short stacking energy: -67.368
Base-Backbone interact. energy: -1.047
local terms energy: -85.638293
where:
bonds (distance) C4'-P energy: -22.227
bonds (distance) P-C4' energy: -20.228
flat angles C4'-P-C4' energy: -19.185
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -14.172
Dist. restrs. and SS energy: 6.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -245.889408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.889408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.727502 (E_RNA)
where:
Base-Base interactions energy: -172.895
where: short stacking energy: -62.925
Base-Backbone interact. energy: -1.547
local terms energy: -75.285472
where:
bonds (distance) C4'-P energy: -21.989
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -12.864
Dist. restrs. and SS energy: 3.838 (S_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: 132
Temperature: 1.350000
Total energy: -211.674336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.674336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.489845 (E_RNA)
where:
Base-Base interactions energy: -159.435
where: short stacking energy: -57.081
Base-Backbone interact. energy: 1.323
local terms energy: -65.378158
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -20.891
flat angles C4'-P-C4' energy: -9.798
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -8.730
Dist. restrs. and SS energy: 11.816 (S_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: 133
Temperature: 0.900000
Total energy: -370.436612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.436612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.932262 (E_RNA)
where:
Base-Base interactions energy: -253.507
where: short stacking energy: -100.020
Base-Backbone interact. energy: -0.739
local terms energy: -117.686274
where:
bonds (distance) C4'-P energy: -23.697
bonds (distance) P-C4' energy: -20.271
flat angles C4'-P-C4' energy: -24.722
flat angles P-C4'-P energy: -19.764
tors. eta vs tors. theta energy: -29.233
Dist. restrs. and SS energy: 1.496 (S_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: 133
Temperature: 0.950000
Total energy: -332.849154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.849154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.105723 (E_RNA)
where:
Base-Base interactions energy: -234.900
where: short stacking energy: -94.376
Base-Backbone interact. energy: 0.544
local terms energy: -98.749869
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -18.514
flat angles C4'-P-C4' energy: -21.632
flat angles P-C4'-P energy: -14.779
tors. eta vs tors. theta energy: -26.532
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: 3, replica: 4
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -365.839102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.839102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.212981 (E_RNA)
where:
Base-Base interactions energy: -256.191
where: short stacking energy: -98.690
Base-Backbone interact. energy: -1.614
local terms energy: -109.407848
where:
bonds (distance) C4'-P energy: -21.228
bonds (distance) P-C4' energy: -20.553
flat angles C4'-P-C4' energy: -25.838
flat angles P-C4'-P energy: -14.385
tors. eta vs tors. theta energy: -27.403
Dist. restrs. and SS energy: 1.374 (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: 10
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -332.012680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.012680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.199361 (E_RNA)
where:
Base-Base interactions energy: -231.099
where: short stacking energy: -91.539
Base-Backbone interact. energy: -0.415
local terms energy: -101.685175
where:
bonds (distance) C4'-P energy: -19.604
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -23.953
flat angles P-C4'-P energy: -20.015
tors. eta vs tors. theta energy: -17.522
Dist. restrs. and SS energy: 1.187 (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: 5
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -266.937699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.937699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.293316 (E_RNA)
where:
Base-Base interactions energy: -189.769
where: short stacking energy: -66.515
Base-Backbone interact. energy: 2.069
local terms energy: -83.594088
where:
bonds (distance) C4'-P energy: -13.178
bonds (distance) P-C4' energy: -23.408
flat angles C4'-P-C4' energy: -20.133
flat angles P-C4'-P energy: -18.243
tors. eta vs tors. theta energy: -8.632
Dist. restrs. and SS energy: 4.356 (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: 6
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -280.904986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.904986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.979962 (E_RNA)
where:
Base-Base interactions energy: -191.797
where: short stacking energy: -83.183
Base-Backbone interact. energy: -0.138
local terms energy: -90.044612
where:
bonds (distance) C4'-P energy: -19.302
bonds (distance) P-C4' energy: -16.413
flat angles C4'-P-C4' energy: -18.567
flat angles P-C4'-P energy: -19.144
tors. eta vs tors. theta energy: -16.618
Dist. restrs. and SS energy: 1.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -285.601112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.601112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.240941 (E_RNA)
where:
Base-Base interactions energy: -194.746
where: short stacking energy: -70.409
Base-Backbone interact. energy: 0.451
local terms energy: -94.946018
where:
bonds (distance) C4'-P energy: -23.117
bonds (distance) P-C4' energy: -24.890
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -16.650
tors. eta vs tors. theta energy: -17.228
Dist. restrs. and SS energy: 3.640 (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: 3
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -239.436115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.436115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.146066 (E_RNA)
where:
Base-Base interactions energy: -170.394
where: short stacking energy: -65.433
Base-Backbone interact. energy: -0.260
local terms energy: -70.491952
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -17.848
flat angles C4'-P-C4' energy: -18.299
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -9.202
Dist. restrs. and SS energy: 1.710 (S_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: 133
Temperature: 1.300000
Total energy: -265.180828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.180828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.626519 (E_RNA)
where:
Base-Base interactions energy: -177.634
where: short stacking energy: -79.519
Base-Backbone interact. energy: -0.393
local terms energy: -88.598924
where:
bonds (distance) C4'-P energy: -16.849
bonds (distance) P-C4' energy: -20.251
flat angles C4'-P-C4' energy: -21.446
flat angles P-C4'-P energy: -13.411
tors. eta vs tors. theta energy: -16.642
Dist. restrs. and SS energy: 1.446 (S_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: 133
Temperature: 1.350000
Total energy: -236.450689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.450689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.503575 (E_RNA)
where:
Base-Base interactions energy: -171.296
where: short stacking energy: -66.621
Base-Backbone interact. energy: 0.783
local terms energy: -70.990453
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -19.612
flat angles P-C4'-P energy: -3.269
tors. eta vs tors. theta energy: -15.569
Dist. restrs. and SS energy: 5.053 (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: 9
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -368.549117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.549117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.813304 (E_RNA)
where:
Base-Base interactions energy: -253.610
where: short stacking energy: -95.945
Base-Backbone interact. energy: -0.899
local terms energy: -114.304118
where:
bonds (distance) C4'-P energy: -19.193
bonds (distance) P-C4' energy: -22.163
flat angles C4'-P-C4' energy: -24.502
flat angles P-C4'-P energy: -18.608
tors. eta vs tors. theta energy: -29.838
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: 2
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -348.109223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.109223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.703626 (E_RNA)
where:
Base-Base interactions energy: -246.701
where: short stacking energy: -90.695
Base-Backbone interact. energy: -0.863
local terms energy: -101.140011
where:
bonds (distance) C4'-P energy: -18.018
bonds (distance) P-C4' energy: -21.128
flat angles C4'-P-C4' energy: -19.525
flat angles P-C4'-P energy: -14.924
tors. eta vs tors. theta energy: -27.545
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: 3, replica: 4
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -351.388218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.388218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.132205 (E_RNA)
where:
Base-Base interactions energy: -249.605
where: short stacking energy: -91.646
Base-Backbone interact. energy: -0.627
local terms energy: -102.899416
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -24.451
flat angles C4'-P-C4' energy: -23.100
flat angles P-C4'-P energy: -19.634
tors. eta vs tors. theta energy: -24.409
Dist. restrs. and SS energy: 1.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -337.777816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.777816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.624166 (E_RNA)
where:
Base-Base interactions energy: -226.157
where: short stacking energy: -90.340
Base-Backbone interact. energy: -0.192
local terms energy: -112.274398
where:
bonds (distance) C4'-P energy: -21.944
bonds (distance) P-C4' energy: -22.804
flat angles C4'-P-C4' energy: -19.886
flat angles P-C4'-P energy: -20.579
tors. eta vs tors. theta energy: -27.061
Dist. restrs. and SS energy: 0.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -276.763009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.763009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.572800 (E_RNA)
where:
Base-Base interactions energy: -179.800
where: short stacking energy: -82.269
Base-Backbone interact. energy: -0.180
local terms energy: -98.592751
where:
bonds (distance) C4'-P energy: -18.406
bonds (distance) P-C4' energy: -23.215
flat angles C4'-P-C4' energy: -25.756
flat angles P-C4'-P energy: -14.622
tors. eta vs tors. theta energy: -16.594
Dist. restrs. and SS energy: 1.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -256.441105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.441105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.675692 (E_RNA)
where:
Base-Base interactions energy: -168.029
where: short stacking energy: -72.453
Base-Backbone interact. energy: -0.673
local terms energy: -88.973365
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -19.610
flat angles C4'-P-C4' energy: -23.409
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -14.828
Dist. restrs. and SS energy: 1.235 (S_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: -265.394243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.394243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.153834 (E_RNA)
where:
Base-Base interactions energy: -174.658
where: short stacking energy: -80.885
Base-Backbone interact. energy: -0.027
local terms energy: -95.468633
where:
bonds (distance) C4'-P energy: -22.120
bonds (distance) P-C4' energy: -20.781
flat angles C4'-P-C4' energy: -18.911
flat angles P-C4'-P energy: -13.400
tors. eta vs tors. theta energy: -20.257
Dist. restrs. and SS energy: 4.760 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -257.536442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.536442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.596827 (E_RNA)
where:
Base-Base interactions energy: -175.178
where: short stacking energy: -72.128
Base-Backbone interact. energy: 2.833
local terms energy: -86.252057
where:
bonds (distance) C4'-P energy: -18.138
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -24.497
flat angles P-C4'-P energy: -19.131
tors. eta vs tors. theta energy: -11.015
Dist. restrs. and SS energy: 1.060 (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: 7
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -236.857186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.857186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.145929 (E_RNA)
where:
Base-Base interactions energy: -162.120
where: short stacking energy: -61.554
Base-Backbone interact. energy: -0.431
local terms energy: -75.594718
where:
bonds (distance) C4'-P energy: -16.282
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -18.690
flat angles P-C4'-P energy: -6.946
tors. eta vs tors. theta energy: -13.000
Dist. restrs. and SS energy: 1.289 (S_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: 134
Temperature: 1.350000
Total energy: -212.697204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.697204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.009349 (E_RNA)
where:
Base-Base interactions energy: -137.679
where: short stacking energy: -56.691
Base-Backbone interact. energy: -0.405
local terms energy: -75.925496
where:
bonds (distance) C4'-P energy: -17.842
bonds (distance) P-C4' energy: -19.561
flat angles C4'-P-C4' energy: -23.683
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -6.562
Dist. restrs. and SS energy: 1.312 (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: 9
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -374.045178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.045178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.929249 (E_RNA)
where:
Base-Base interactions energy: -252.106
where: short stacking energy: -93.350
Base-Backbone interact. energy: -2.480
local terms energy: -121.342370
where:
bonds (distance) C4'-P energy: -23.845
bonds (distance) P-C4' energy: -27.094
flat angles C4'-P-C4' energy: -20.104
flat angles P-C4'-P energy: -18.334
tors. eta vs tors. theta energy: -31.966
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: 2, replica: 4
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -364.052099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.052099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.247671 (E_RNA)
where:
Base-Base interactions energy: -245.851
where: short stacking energy: -91.074
Base-Backbone interact. energy: -3.166
local terms energy: -115.230906
where:
bonds (distance) C4'-P energy: -19.733
bonds (distance) P-C4' energy: -22.932
flat angles C4'-P-C4' energy: -23.116
flat angles P-C4'-P energy: -18.779
tors. eta vs tors. theta energy: -30.672
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: 3, replica: 2
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -351.709548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.709548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.251350 (E_RNA)
where:
Base-Base interactions energy: -244.571
where: short stacking energy: -90.564
Base-Backbone interact. energy: -0.090
local terms energy: -107.590062
where:
bonds (distance) C4'-P energy: -21.357
bonds (distance) P-C4' energy: -22.950
flat angles C4'-P-C4' energy: -20.929
flat angles P-C4'-P energy: -17.109
tors. eta vs tors. theta energy: -25.246
Dist. restrs. and SS energy: 0.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -333.265296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.265296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.651259 (E_RNA)
where:
Base-Base interactions energy: -232.215
where: short stacking energy: -95.620
Base-Backbone interact. energy: -1.147
local terms energy: -101.289687
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -20.002
flat angles C4'-P-C4' energy: -21.961
flat angles P-C4'-P energy: -17.474
tors. eta vs tors. theta energy: -26.864
Dist. restrs. and SS energy: 1.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -273.784955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.784955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.080944 (E_RNA)
where:
Base-Base interactions energy: -183.197
where: short stacking energy: -87.296
Base-Backbone interact. energy: -0.432
local terms energy: -94.452066
where:
bonds (distance) C4'-P energy: -22.867
bonds (distance) P-C4' energy: -19.987
flat angles C4'-P-C4' energy: -21.365
flat angles P-C4'-P energy: -13.656
tors. eta vs tors. theta energy: -16.578
Dist. restrs. and SS energy: 4.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -269.571517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.571517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.833130 (E_RNA)
where:
Base-Base interactions energy: -170.612
where: short stacking energy: -68.449
Base-Backbone interact. energy: 0.794
local terms energy: -101.015354
where:
bonds (distance) C4'-P energy: -23.199
bonds (distance) P-C4' energy: -21.358
flat angles C4'-P-C4' energy: -21.515
flat angles P-C4'-P energy: -17.033
tors. eta vs tors. theta energy: -17.911
Dist. restrs. and SS energy: 1.262 (S_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: 135
Temperature: 1.200000
Total energy: -273.380314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.380314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.448377 (E_RNA)
where:
Base-Base interactions energy: -179.303
where: short stacking energy: -71.499
Base-Backbone interact. energy: -1.117
local terms energy: -97.028215
where:
bonds (distance) C4'-P energy: -23.580
bonds (distance) P-C4' energy: -24.625
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -19.836
Dist. restrs. and SS energy: 4.068 (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: 7
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -267.094487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.094487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.198674 (E_RNA)
where:
Base-Base interactions energy: -175.513
where: short stacking energy: -72.909
Base-Backbone interact. energy: 0.167
local terms energy: -94.852964
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -24.839
flat angles C4'-P-C4' energy: -25.842
flat angles P-C4'-P energy: -14.838
tors. eta vs tors. theta energy: -12.622
Dist. restrs. and SS energy: 3.104 (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: 8
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -247.524515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.524515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.677753 (E_RNA)
where:
Base-Base interactions energy: -170.433
where: short stacking energy: -74.741
Base-Backbone interact. energy: -0.213
local terms energy: -79.031646
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -18.663
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -14.132
tors. eta vs tors. theta energy: -15.669
Dist. restrs. and SS energy: 2.153 (S_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: 135
Temperature: 1.350000
Total energy: -217.839014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.839014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.329155 (E_RNA)
where:
Base-Base interactions energy: -146.805
where: short stacking energy: -56.439
Base-Backbone interact. energy: -1.012
local terms energy: -71.511326
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -23.090
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -8.665
Dist. restrs. and SS energy: 1.490 (S_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: 136
Temperature: 0.900000
Total energy: -365.101229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.101229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.646412 (E_RNA)
where:
Base-Base interactions energy: -250.810
where: short stacking energy: -99.926
Base-Backbone interact. energy: -1.273
local terms energy: -113.564273
where:
bonds (distance) C4'-P energy: -23.212
bonds (distance) P-C4' energy: -22.417
flat angles C4'-P-C4' energy: -24.719
flat angles P-C4'-P energy: -16.983
tors. eta vs tors. theta energy: -26.233
Dist. restrs. and SS energy: 0.545 (S_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: 136
Temperature: 0.950000
Total energy: -355.836170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.836170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.012348 (E_RNA)
where:
Base-Base interactions energy: -243.736
where: short stacking energy: -98.834
Base-Backbone interact. energy: -2.240
local terms energy: -111.036804
where:
bonds (distance) C4'-P energy: -19.759
bonds (distance) P-C4' energy: -21.446
flat angles C4'-P-C4' energy: -22.965
flat angles P-C4'-P energy: -17.716
tors. eta vs tors. theta energy: -29.150
Dist. restrs. and SS energy: 1.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -357.627087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.627087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.633204 (E_RNA)
where:
Base-Base interactions energy: -246.569
where: short stacking energy: -105.415
Base-Backbone interact. energy: -0.917
local terms energy: -112.146514
where:
bonds (distance) C4'-P energy: -21.246
bonds (distance) P-C4' energy: -22.128
flat angles C4'-P-C4' energy: -26.600
flat angles P-C4'-P energy: -17.154
tors. eta vs tors. theta energy: -25.018
Dist. restrs. and SS energy: 2.006 (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: 10
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -322.979318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.979318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.014376 (E_RNA)
where:
Base-Base interactions energy: -217.110
where: short stacking energy: -89.014
Base-Backbone interact. energy: -1.074
local terms energy: -104.830995
where:
bonds (distance) C4'-P energy: -20.098
bonds (distance) P-C4' energy: -20.505
flat angles C4'-P-C4' energy: -25.031
flat angles P-C4'-P energy: -16.337
tors. eta vs tors. theta energy: -22.860
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: 6
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -283.851173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.851173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.569300 (E_RNA)
where:
Base-Base interactions energy: -189.107
where: short stacking energy: -85.466
Base-Backbone interact. energy: 2.339
local terms energy: -97.800805
where:
bonds (distance) C4'-P energy: -26.171
bonds (distance) P-C4' energy: -18.114
flat angles C4'-P-C4' energy: -23.643
flat angles P-C4'-P energy: -14.884
tors. eta vs tors. theta energy: -14.988
Dist. restrs. and SS energy: 0.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -260.443690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.443690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.510935 (E_RNA)
where:
Base-Base interactions energy: -169.780
where: short stacking energy: -66.562
Base-Backbone interact. energy: -0.373
local terms energy: -94.357866
where:
bonds (distance) C4'-P energy: -23.352
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -22.595
flat angles P-C4'-P energy: -17.114
tors. eta vs tors. theta energy: -12.900
Dist. restrs. and SS energy: 4.067 (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: 3
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -279.984168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.984168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.347893 (E_RNA)
where:
Base-Base interactions energy: -199.674
where: short stacking energy: -72.573
Base-Backbone interact. energy: -0.412
local terms energy: -81.261478
where:
bonds (distance) C4'-P energy: -20.392
bonds (distance) P-C4' energy: -21.046
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -5.534
tors. eta vs tors. theta energy: -17.241
Dist. restrs. and SS energy: 1.364 (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: 7
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -263.328675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.328675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.233850 (E_RNA)
where:
Base-Base interactions energy: -188.078
where: short stacking energy: -81.477
Base-Backbone interact. energy: 2.772
local terms energy: -78.927462
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -23.293
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: -18.029
Dist. restrs. and SS energy: 0.905 (S_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: 136
Temperature: 1.300000
Total energy: -213.334860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.334860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.182747 (E_RNA)
where:
Base-Base interactions energy: -140.657
where: short stacking energy: -74.885
Base-Backbone interact. energy: 0.906
local terms energy: -82.431838
where:
bonds (distance) C4'-P energy: -21.501
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -19.591
Dist. restrs. and SS energy: 8.848 (S_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: 136
Temperature: 1.350000
Total energy: -204.374901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.374901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.470846 (E_RNA)
where:
Base-Base interactions energy: -139.278
where: short stacking energy: -57.846
Base-Backbone interact. energy: 0.365
local terms energy: -70.557165
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -19.458
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: -10.353
Dist. restrs. and SS energy: 5.096 (S_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: 137
Temperature: 0.900000
Total energy: -376.715462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.715462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.340522 (E_RNA)
where:
Base-Base interactions energy: -260.915
where: short stacking energy: -102.742
Base-Backbone interact. energy: -3.221
local terms energy: -113.204920
where:
bonds (distance) C4'-P energy: -20.935
bonds (distance) P-C4' energy: -24.839
flat angles C4'-P-C4' energy: -20.849
flat angles P-C4'-P energy: -16.294
tors. eta vs tors. theta energy: -30.288
Dist. restrs. and SS energy: 0.625 (S_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: 137
Temperature: 0.950000
Total energy: -380.418241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.418241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.338945 (E_RNA)
where:
Base-Base interactions energy: -257.340
where: short stacking energy: -100.903
Base-Backbone interact. energy: -2.095
local terms energy: -122.904607
where:
bonds (distance) C4'-P energy: -23.556
bonds (distance) P-C4' energy: -23.983
flat angles C4'-P-C4' energy: -26.892
flat angles P-C4'-P energy: -16.809
tors. eta vs tors. theta energy: -31.665
Dist. restrs. and SS energy: 1.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -354.114739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.114739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.671619 (E_RNA)
where:
Base-Base interactions energy: -237.145
where: short stacking energy: -101.421
Base-Backbone interact. energy: -0.368
local terms energy: -117.159307
where:
bonds (distance) C4'-P energy: -22.126
bonds (distance) P-C4' energy: -23.454
flat angles C4'-P-C4' energy: -25.328
flat angles P-C4'-P energy: -17.417
tors. eta vs tors. theta energy: -28.834
Dist. restrs. and SS energy: 0.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -351.004253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.004253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.768498 (E_RNA)
where:
Base-Base interactions energy: -249.731
where: short stacking energy: -93.102
Base-Backbone interact. energy: -0.845
local terms energy: -101.192941
where:
bonds (distance) C4'-P energy: -23.945
bonds (distance) P-C4' energy: -23.913
flat angles C4'-P-C4' energy: -19.795
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -24.493
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: 5, replica: 6
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -285.685137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.685137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.759872 (E_RNA)
where:
Base-Base interactions energy: -183.198
where: short stacking energy: -91.500
Base-Backbone interact. energy: -0.838
local terms energy: -105.723960
where:
bonds (distance) C4'-P energy: -22.398
bonds (distance) P-C4' energy: -22.620
flat angles C4'-P-C4' energy: -22.810
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -26.662
Dist. restrs. and SS energy: 4.075 (S_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: 137
Temperature: 1.150000
Total energy: -298.502642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.502642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.736687 (E_RNA)
where:
Base-Base interactions energy: -200.310
where: short stacking energy: -81.415
Base-Backbone interact. energy: -0.074
local terms energy: -103.351918
where:
bonds (distance) C4'-P energy: -21.444
bonds (distance) P-C4' energy: -24.701
flat angles C4'-P-C4' energy: -25.340
flat angles P-C4'-P energy: -16.586
tors. eta vs tors. theta energy: -15.282
Dist. restrs. and SS energy: 5.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -249.245853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.245853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.091012 (E_RNA)
where:
Base-Base interactions energy: -185.432
where: short stacking energy: -62.574
Base-Backbone interact. energy: -1.067
local terms energy: -64.591944
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -17.962
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -13.651
tors. eta vs tors. theta energy: -9.104
Dist. restrs. and SS energy: 1.845 (S_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: 137
Temperature: 1.250000
Total energy: -253.743732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.743732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.363547 (E_RNA)
where:
Base-Base interactions energy: -162.800
where: short stacking energy: -71.581
Base-Backbone interact. energy: -0.831
local terms energy: -98.732496
where:
bonds (distance) C4'-P energy: -18.591
bonds (distance) P-C4' energy: -22.431
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -18.744
tors. eta vs tors. theta energy: -21.937
Dist. restrs. and SS energy: 8.620 (S_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: 137
Temperature: 1.300000
Total energy: -246.264762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.264762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.386857 (E_RNA)
where:
Base-Base interactions energy: -158.489
where: short stacking energy: -66.732
Base-Backbone interact. energy: -0.041
local terms energy: -87.857698
where:
bonds (distance) C4'-P energy: -21.726
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -20.028
flat angles P-C4'-P energy: -14.168
tors. eta vs tors. theta energy: -10.630
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: 10, replica: 1
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -223.658448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.658448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.828486 (E_RNA)
where:
Base-Base interactions energy: -154.384
where: short stacking energy: -59.852
Base-Backbone interact. energy: -0.593
local terms energy: -70.851366
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -18.900
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -9.857
Dist. restrs. and SS energy: 2.170 (S_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: 138
Temperature: 0.900000
Total energy: -371.521201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.521201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.197295 (E_RNA)
where:
Base-Base interactions energy: -259.037
where: short stacking energy: -101.386
Base-Backbone interact. energy: -1.008
local terms energy: -112.151728
where:
bonds (distance) C4'-P energy: -21.589
bonds (distance) P-C4' energy: -20.661
flat angles C4'-P-C4' energy: -18.305
flat angles P-C4'-P energy: -18.931
tors. eta vs tors. theta energy: -32.666
Dist. restrs. and SS energy: 0.676 (S_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: 138
Temperature: 0.950000
Total energy: -362.989436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.989436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.558952 (E_RNA)
where:
Base-Base interactions energy: -252.220
where: short stacking energy: -97.214
Base-Backbone interact. energy: -2.485
local terms energy: -108.853409
where:
bonds (distance) C4'-P energy: -19.309
bonds (distance) P-C4' energy: -24.655
flat angles C4'-P-C4' energy: -21.757
flat angles P-C4'-P energy: -15.210
tors. eta vs tors. theta energy: -27.923
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: 3, replica: 2
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -359.969371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.969371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.571207 (E_RNA)
where:
Base-Base interactions energy: -258.122
where: short stacking energy: -97.802
Base-Backbone interact. energy: -1.225
local terms energy: -102.223948
where:
bonds (distance) C4'-P energy: -17.154
bonds (distance) P-C4' energy: -24.452
flat angles C4'-P-C4' energy: -18.021
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -29.265
Dist. restrs. and SS energy: 1.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -356.522527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.522527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.826048 (E_RNA)
where:
Base-Base interactions energy: -246.732
where: short stacking energy: -105.396
Base-Backbone interact. energy: -0.657
local terms energy: -109.436522
where:
bonds (distance) C4'-P energy: -21.896
bonds (distance) P-C4' energy: -20.184
flat angles C4'-P-C4' energy: -25.411
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: -28.262
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: 3
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -320.017034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.017034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.439642 (E_RNA)
where:
Base-Base interactions energy: -228.438
where: short stacking energy: -90.887
Base-Backbone interact. energy: -0.827
local terms energy: -92.175068
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -19.089
flat angles P-C4'-P energy: -14.065
tors. eta vs tors. theta energy: -19.654
Dist. restrs. and SS energy: 1.423 (S_DIST_RNA)
chem. 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: -288.838317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.838317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.101348 (E_RNA)
where:
Base-Base interactions energy: -204.492
where: short stacking energy: -87.245
Base-Backbone interact. energy: -0.092
local terms energy: -86.518339
where:
bonds (distance) C4'-P energy: -18.340
bonds (distance) P-C4' energy: -22.798
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -5.678
tors. eta vs tors. theta energy: -23.807
Dist. restrs. and SS energy: 2.263 (S_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: 138
Temperature: 1.200000
Total energy: -279.390602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.390602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.000127 (E_RNA)
where:
Base-Base interactions energy: -181.122
where: short stacking energy: -83.305
Base-Backbone interact. energy: -0.046
local terms energy: -98.832060
where:
bonds (distance) C4'-P energy: -20.477
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -20.796
flat angles P-C4'-P energy: -16.088
tors. eta vs tors. theta energy: -23.416
Dist. restrs. and SS energy: 0.610 (S_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: 138
Temperature: 1.250000
Total energy: -254.930438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.930438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.106098 (E_RNA)
where:
Base-Base interactions energy: -168.600
where: short stacking energy: -65.500
Base-Backbone interact. energy: -1.326
local terms energy: -85.180537
where:
bonds (distance) C4'-P energy: -20.694
bonds (distance) P-C4' energy: -20.697
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -14.350
tors. eta vs tors. theta energy: -13.839
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: 9, replica: 1
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -254.577804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.577804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.717896 (E_RNA)
where:
Base-Base interactions energy: -169.259
where: short stacking energy: -70.075
Base-Backbone interact. energy: -0.804
local terms energy: -88.654266
where:
bonds (distance) C4'-P energy: -21.704
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -21.986
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -17.882
Dist. restrs. and SS energy: 4.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -245.704230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.704230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.613197 (E_RNA)
where:
Base-Base interactions energy: -173.890
where: short stacking energy: -66.457
Base-Backbone interact. energy: 0.057
local terms energy: -72.780026
where:
bonds (distance) C4'-P energy: -7.154
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -21.379
flat angles P-C4'-P energy: -13.627
tors. eta vs tors. theta energy: -13.589
Dist. restrs. and SS energy: 0.909 (S_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: 139
Temperature: 0.900000
Total energy: -373.098218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.098218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.017194 (E_RNA)
where:
Base-Base interactions energy: -256.092
where: short stacking energy: -104.738
Base-Backbone interact. energy: -2.417
local terms energy: -116.507535
where:
bonds (distance) C4'-P energy: -25.290
bonds (distance) P-C4' energy: -23.413
flat angles C4'-P-C4' energy: -19.774
flat angles P-C4'-P energy: -16.814
tors. eta vs tors. theta energy: -31.216
Dist. restrs. and SS energy: 1.919 (S_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: 139
Temperature: 0.950000
Total energy: -363.725228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.725228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.594659 (E_RNA)
where:
Base-Base interactions energy: -265.550
where: short stacking energy: -92.841
Base-Backbone interact. energy: -0.759
local terms energy: -98.285406
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -23.749
flat angles C4'-P-C4' energy: -22.248
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -24.699
Dist. restrs. and SS energy: 0.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -352.607898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.607898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.981902 (E_RNA)
where:
Base-Base interactions energy: -246.559
where: short stacking energy: -96.273
Base-Backbone interact. energy: -0.652
local terms energy: -106.771283
where:
bonds (distance) C4'-P energy: -17.835
bonds (distance) P-C4' energy: -20.264
flat angles C4'-P-C4' energy: -21.555
flat angles P-C4'-P energy: -16.742
tors. eta vs tors. theta energy: -30.375
Dist. restrs. and SS energy: 1.374 (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: 3
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -319.623550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.623550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.368340 (E_RNA)
where:
Base-Base interactions energy: -219.435
where: short stacking energy: -95.796
Base-Backbone interact. energy: -0.465
local terms energy: -100.467537
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -26.844
flat angles P-C4'-P energy: -17.390
tors. eta vs tors. theta energy: -25.176
Dist. restrs. and SS energy: 0.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -335.919977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.919977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.798536 (E_RNA)
where:
Base-Base interactions energy: -248.126
where: short stacking energy: -90.432
Base-Backbone interact. energy: -0.976
local terms energy: -87.696144
where:
bonds (distance) C4'-P energy: -17.959
bonds (distance) P-C4' energy: -21.668
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -23.508
Dist. restrs. and SS energy: 0.879 (S_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: 139
Temperature: 1.150000
Total energy: -273.096099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.096099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.149344 (E_RNA)
where:
Base-Base interactions energy: -185.395
where: short stacking energy: -79.568
Base-Backbone interact. energy: -1.492
local terms energy: -89.262110
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -23.287
flat angles C4'-P-C4' energy: -24.131
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -17.948
Dist. restrs. and SS energy: 3.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -275.826085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.826085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.630041 (E_RNA)
where:
Base-Base interactions energy: -193.289
where: short stacking energy: -74.676
Base-Backbone interact. energy: -0.369
local terms energy: -84.971943
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -22.609
flat angles P-C4'-P energy: -16.731
tors. eta vs tors. theta energy: -16.081
Dist. restrs. and SS energy: 2.804 (S_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: 139
Temperature: 1.250000
Total energy: -227.181941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.181941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.152712 (E_RNA)
where:
Base-Base interactions energy: -147.832
where: short stacking energy: -60.884
Base-Backbone interact. energy: -0.019
local terms energy: -81.301693
where:
bonds (distance) C4'-P energy: -23.711
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -19.036
flat angles P-C4'-P energy: -17.185
tors. eta vs tors. theta energy: -3.472
Dist. restrs. and SS energy: 1.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -227.373774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.373774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.406711 (E_RNA)
where:
Base-Base interactions energy: -157.298
where: short stacking energy: -66.205
Base-Backbone interact. energy: 1.176
local terms energy: -73.284394
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -24.765
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -15.062
tors. eta vs tors. theta energy: -5.001
Dist. restrs. and SS energy: 2.033 (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: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -255.846521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.846521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.241933 (E_RNA)
where:
Base-Base interactions energy: -176.445
where: short stacking energy: -77.764
Base-Backbone interact. energy: -0.090
local terms energy: -79.706614
where:
bonds (distance) C4'-P energy: -8.516
bonds (distance) P-C4' energy: -22.563
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -21.131
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: 1, replica: 4
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -377.236728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.236728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.521776 (E_RNA)
where:
Base-Base interactions energy: -262.831
where: short stacking energy: -99.901
Base-Backbone interact. energy: -2.883
local terms energy: -112.807864
where:
bonds (distance) C4'-P energy: -20.595
bonds (distance) P-C4' energy: -24.664
flat angles C4'-P-C4' energy: -23.758
flat angles P-C4'-P energy: -14.177
tors. eta vs tors. theta energy: -29.614
Dist. restrs. and SS energy: 1.285 (S_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: 140
Temperature: 0.950000
Total energy: -352.732583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.732583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.789377 (E_RNA)
where:
Base-Base interactions energy: -239.500
where: short stacking energy: -100.956
Base-Backbone interact. energy: -0.455
local terms energy: -113.834500
where:
bonds (distance) C4'-P energy: -25.493
bonds (distance) P-C4' energy: -21.647
flat angles C4'-P-C4' energy: -25.354
flat angles P-C4'-P energy: -16.021
tors. eta vs tors. theta energy: -25.320
Dist. restrs. and SS energy: 1.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -369.007547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.007547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.439457 (E_RNA)
where:
Base-Base interactions energy: -259.419
where: short stacking energy: -90.024
Base-Backbone interact. energy: -0.088
local terms energy: -110.932070
where:
bonds (distance) C4'-P energy: -21.833
bonds (distance) P-C4' energy: -25.209
flat angles C4'-P-C4' energy: -19.168
flat angles P-C4'-P energy: -18.060
tors. eta vs tors. theta energy: -26.663
Dist. restrs. and SS energy: 1.432 (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: 3
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -327.692338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.692338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.777726 (E_RNA)
where:
Base-Base interactions energy: -231.344
where: short stacking energy: -87.914
Base-Backbone interact. energy: -0.407
local terms energy: -98.027120
where:
bonds (distance) C4'-P energy: -24.142
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -18.008
flat angles P-C4'-P energy: -14.322
tors. eta vs tors. theta energy: -23.082
Dist. restrs. and SS energy: 2.085 (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: 10
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -347.611407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.611407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.090127 (E_RNA)
where:
Base-Base interactions energy: -247.787
where: short stacking energy: -101.706
Base-Backbone interact. energy: 0.015
local terms energy: -101.318021
where:
bonds (distance) C4'-P energy: -26.818
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -18.436
flat angles P-C4'-P energy: -15.740
tors. eta vs tors. theta energy: -27.068
Dist. restrs. and SS energy: 1.479 (S_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: 140
Temperature: 1.150000
Total energy: -279.639527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.639527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.941688 (E_RNA)
where:
Base-Base interactions energy: -191.360
where: short stacking energy: -67.865
Base-Backbone interact. energy: -0.491
local terms energy: -89.091541
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -23.178
flat angles C4'-P-C4' energy: -19.362
flat angles P-C4'-P energy: -13.996
tors. eta vs tors. theta energy: -14.948
Dist. restrs. and SS energy: 1.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -260.856447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.856447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.348160 (E_RNA)
where:
Base-Base interactions energy: -165.295
where: short stacking energy: -79.420
Base-Backbone interact. energy: -1.932
local terms energy: -98.120496
where:
bonds (distance) C4'-P energy: -17.441
bonds (distance) P-C4' energy: -24.592
flat angles C4'-P-C4' energy: -20.535
flat angles P-C4'-P energy: -15.728
tors. eta vs tors. theta energy: -19.825
Dist. restrs. and SS energy: 4.492 (S_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: -212.037665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.037665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.553306 (E_RNA)
where:
Base-Base interactions energy: -133.543
where: short stacking energy: -73.053
Base-Backbone interact. energy: -0.215
local terms energy: -82.794832
where:
bonds (distance) C4'-P energy: -21.470
bonds (distance) P-C4' energy: -17.848
flat angles C4'-P-C4' energy: -22.313
flat angles P-C4'-P energy: -3.304
tors. eta vs tors. theta energy: -17.861
Dist. restrs. and SS energy: 4.516 (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: 8
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -222.859674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.859674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.405593 (E_RNA)
where:
Base-Base interactions energy: -140.603
where: short stacking energy: -59.243
Base-Backbone interact. energy: -0.182
local terms energy: -82.620868
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -25.194
flat angles C4'-P-C4' energy: -21.373
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: -13.970
Dist. restrs. and SS energy: 0.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -222.413899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.413899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.279091 (E_RNA)
where:
Base-Base interactions energy: -141.906
where: short stacking energy: -65.733
Base-Backbone interact. energy: 2.564
local terms energy: -83.936992
where:
bonds (distance) C4'-P energy: -21.079
bonds (distance) P-C4' energy: -22.987
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -12.335
Dist. restrs. and SS energy: 0.865 (S_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: 141
Temperature: 0.900000
Total energy: -372.530153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.530153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.532466 (E_RNA)
where:
Base-Base interactions energy: -250.892
where: short stacking energy: -95.174
Base-Backbone interact. energy: -2.803
local terms energy: -119.837393
where:
bonds (distance) C4'-P energy: -21.841
bonds (distance) P-C4' energy: -25.826
flat angles C4'-P-C4' energy: -25.767
flat angles P-C4'-P energy: -14.701
tors. eta vs tors. theta energy: -31.703
Dist. restrs. and SS energy: 1.002 (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: 9
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -341.127941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.127941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.959721 (E_RNA)
where:
Base-Base interactions energy: -240.312
where: short stacking energy: -88.775
Base-Backbone interact. energy: -0.937
local terms energy: -101.711173
where:
bonds (distance) C4'-P energy: -21.833
bonds (distance) P-C4' energy: -22.738
flat angles C4'-P-C4' energy: -22.362
flat angles P-C4'-P energy: -13.768
tors. eta vs tors. theta energy: -21.011
Dist. restrs. and SS energy: 1.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -354.355655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.355655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.995449 (E_RNA)
where:
Base-Base interactions energy: -243.598
where: short stacking energy: -100.243
Base-Backbone interact. energy: -1.873
local terms energy: -109.524343
where:
bonds (distance) C4'-P energy: -22.906
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -23.519
flat angles P-C4'-P energy: -16.254
tors. eta vs tors. theta energy: -29.436
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: 4, replica: 10
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -352.286323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.286323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.319428 (E_RNA)
where:
Base-Base interactions energy: -249.906
where: short stacking energy: -100.181
Base-Backbone interact. energy: -1.265
local terms energy: -101.148528
where:
bonds (distance) C4'-P energy: -18.902
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -20.171
flat angles P-C4'-P energy: -18.121
tors. eta vs tors. theta energy: -28.239
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: 3
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -316.874906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.874906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.572356 (E_RNA)
where:
Base-Base interactions energy: -222.852
where: short stacking energy: -88.591
Base-Backbone interact. energy: -0.848
local terms energy: -94.872349
where:
bonds (distance) C4'-P energy: -20.935
bonds (distance) P-C4' energy: -22.619
flat angles C4'-P-C4' energy: -17.937
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -22.140
Dist. restrs. and SS energy: 1.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -276.975924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.975924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.933096 (E_RNA)
where:
Base-Base interactions energy: -188.959
where: short stacking energy: -85.554
Base-Backbone interact. energy: -0.925
local terms energy: -89.048936
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -25.343
Dist. restrs. and SS energy: 1.957 (S_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: 141
Temperature: 1.200000
Total energy: -268.777432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.777432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.407724 (E_RNA)
where:
Base-Base interactions energy: -175.296
where: short stacking energy: -69.304
Base-Backbone interact. energy: -0.883
local terms energy: -94.228202
where:
bonds (distance) C4'-P energy: -24.544
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -22.339
flat angles P-C4'-P energy: -17.461
tors. eta vs tors. theta energy: -15.999
Dist. restrs. and SS energy: 1.630 (S_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: 141
Temperature: 1.250000
Total energy: -249.660598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.660598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.564514 (E_RNA)
where:
Base-Base interactions energy: -177.358
where: short stacking energy: -73.379
Base-Backbone interact. energy: 3.002
local terms energy: -78.208770
where:
bonds (distance) C4'-P energy: -20.888
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -25.410
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -6.753
Dist. restrs. and SS energy: 2.904 (S_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: 141
Temperature: 1.300000
Total energy: -226.188070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.188070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.412956 (E_RNA)
where:
Base-Base interactions energy: -148.434
where: short stacking energy: -48.603
Base-Backbone interact. energy: -0.392
local terms energy: -80.587296
where:
bonds (distance) C4'-P energy: -17.935
bonds (distance) P-C4' energy: -23.362
flat angles C4'-P-C4' energy: -18.227
flat angles P-C4'-P energy: -13.906
tors. eta vs tors. theta energy: -7.157
Dist. restrs. and SS energy: 3.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -215.072554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.072554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.991871 (E_RNA)
where:
Base-Base interactions energy: -136.461
where: short stacking energy: -65.362
Base-Backbone interact. energy: 0.454
local terms energy: -83.983982
where:
bonds (distance) C4'-P energy: -20.162
bonds (distance) P-C4' energy: -22.511
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -13.640
tors. eta vs tors. theta energy: -9.724
Dist. restrs. and SS energy: 4.919 (S_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: 142
Temperature: 0.900000
Total energy: -377.303039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.303039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.277091 (E_RNA)
where:
Base-Base interactions energy: -266.640
where: short stacking energy: -97.041
Base-Backbone interact. energy: -1.659
local terms energy: -109.978307
where:
bonds (distance) C4'-P energy: -28.457
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -22.257
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -31.291
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: 2, replica: 9
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -355.935787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.935787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.398233 (E_RNA)
where:
Base-Base interactions energy: -257.598
where: short stacking energy: -97.274
Base-Backbone interact. energy: -0.835
local terms energy: -98.965184
where:
bonds (distance) C4'-P energy: -17.723
bonds (distance) P-C4' energy: -22.968
flat angles C4'-P-C4' energy: -25.214
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -20.610
Dist. restrs. and SS energy: 1.462 (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: 10
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -350.516664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.516664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.980622 (E_RNA)
where:
Base-Base interactions energy: -242.336
where: short stacking energy: -100.248
Base-Backbone interact. energy: -1.165
local terms energy: -108.480335
where:
bonds (distance) C4'-P energy: -20.075
bonds (distance) P-C4' energy: -27.522
flat angles C4'-P-C4' energy: -19.494
flat angles P-C4'-P energy: -14.822
tors. eta vs tors. theta energy: -26.568
Dist. restrs. and SS energy: 1.464 (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: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -352.523266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.523266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.321217 (E_RNA)
where:
Base-Base interactions energy: -249.014
where: short stacking energy: -97.773
Base-Backbone interact. energy: 0.207
local terms energy: -105.514765
where:
bonds (distance) C4'-P energy: -19.862
bonds (distance) P-C4' energy: -19.454
flat angles C4'-P-C4' energy: -25.379
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: -27.232
Dist. restrs. and SS energy: 1.798 (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: 142
Temperature: 1.100000
Total energy: -310.220518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.220518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.027260 (E_RNA)
where:
Base-Base interactions energy: -209.072
where: short stacking energy: -82.920
Base-Backbone interact. energy: 0.184
local terms energy: -104.140184
where:
bonds (distance) C4'-P energy: -19.224
bonds (distance) P-C4' energy: -23.714
flat angles C4'-P-C4' energy: -24.801
flat angles P-C4'-P energy: -19.844
tors. eta vs tors. theta energy: -16.558
Dist. restrs. and SS energy: 2.807 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -259.832065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.832065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.548267 (E_RNA)
where:
Base-Base interactions energy: -162.828
where: short stacking energy: -69.225
Base-Backbone interact. energy: -0.351
local terms energy: -99.369416
where:
bonds (distance) C4'-P energy: -22.371
bonds (distance) P-C4' energy: -22.672
flat angles C4'-P-C4' energy: -26.653
flat angles P-C4'-P energy: -18.306
tors. eta vs tors. theta energy: -9.366
Dist. restrs. and SS energy: 2.716 (S_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: 142
Temperature: 1.200000
Total energy: -277.400149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.400149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.991053 (E_RNA)
where:
Base-Base interactions energy: -181.657
where: short stacking energy: -79.241
Base-Backbone interact. energy: -0.281
local terms energy: -101.053334
where:
bonds (distance) C4'-P energy: -17.544
bonds (distance) P-C4' energy: -23.857
flat angles C4'-P-C4' energy: -24.049
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -23.868
Dist. restrs. and SS energy: 5.591 (S_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: 142
Temperature: 1.250000
Total energy: -246.446000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.446000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.127919 (E_RNA)
where:
Base-Base interactions energy: -163.812
where: short stacking energy: -68.097
Base-Backbone interact. energy: -0.368
local terms energy: -84.947301
where:
bonds (distance) C4'-P energy: -19.323
bonds (distance) P-C4' energy: -17.836
flat angles C4'-P-C4' energy: -18.898
flat angles P-C4'-P energy: -14.527
tors. eta vs tors. theta energy: -14.362
Dist. restrs. and SS energy: 2.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -239.214494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.214494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.649159 (E_RNA)
where:
Base-Base interactions energy: -161.211
where: short stacking energy: -51.528
Base-Backbone interact. energy: -0.717
local terms energy: -78.721381
where:
bonds (distance) C4'-P energy: -17.906
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -16.210
tors. eta vs tors. theta energy: -9.475
Dist. restrs. and SS energy: 1.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -216.996433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.996433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.236353 (E_RNA)
where:
Base-Base interactions energy: -146.606
where: short stacking energy: -60.028
Base-Backbone interact. energy: -0.092
local terms energy: -75.538281
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -25.847
flat angles C4'-P-C4' energy: -11.139
flat angles P-C4'-P energy: -15.001
tors. eta vs tors. theta energy: -10.505
Dist. restrs. and SS energy: 5.240 (S_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: 143
Temperature: 0.900000
Total energy: -363.561799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.561799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.742434 (E_RNA)
where:
Base-Base interactions energy: -251.783
where: short stacking energy: -96.085
Base-Backbone interact. energy: -1.838
local terms energy: -110.121756
where:
bonds (distance) C4'-P energy: -20.968
bonds (distance) P-C4' energy: -20.567
flat angles C4'-P-C4' energy: -24.246
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -31.228
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: 2, replica: 10
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -359.479352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.479352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.159910 (E_RNA)
where:
Base-Base interactions energy: -254.776
where: short stacking energy: -99.969
Base-Backbone interact. energy: -0.656
local terms energy: -105.728055
where:
bonds (distance) C4'-P energy: -23.836
bonds (distance) P-C4' energy: -21.776
flat angles C4'-P-C4' energy: -20.084
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -30.168
Dist. restrs. and SS energy: 1.681 (S_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: 143
Temperature: 1.000000
Total energy: -351.645548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.645548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.567243 (E_RNA)
where:
Base-Base interactions energy: -242.000
where: short stacking energy: -93.188
Base-Backbone interact. energy: -1.517
local terms energy: -110.050229
where:
bonds (distance) C4'-P energy: -18.718
bonds (distance) P-C4' energy: -27.480
flat angles C4'-P-C4' energy: -18.241
flat angles P-C4'-P energy: -16.697
tors. eta vs tors. theta energy: -28.914
Dist. restrs. and SS energy: 1.922 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -351.538445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.538445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.383504 (E_RNA)
where:
Base-Base interactions energy: -244.057
where: short stacking energy: -96.418
Base-Backbone interact. energy: -3.321
local terms energy: -105.005850
where:
bonds (distance) C4'-P energy: -16.985
bonds (distance) P-C4' energy: -17.133
flat angles C4'-P-C4' energy: -24.784
flat angles P-C4'-P energy: -13.679
tors. eta vs tors. theta energy: -32.425
Dist. restrs. and SS energy: 0.845 (S_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: 143
Temperature: 1.100000
Total energy: -313.243623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.243623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.583012 (E_RNA)
where:
Base-Base interactions energy: -206.858
where: short stacking energy: -84.670
Base-Backbone interact. energy: -1.117
local terms energy: -106.608043
where:
bonds (distance) C4'-P energy: -21.113
bonds (distance) P-C4' energy: -22.308
flat angles C4'-P-C4' energy: -24.387
flat angles P-C4'-P energy: -16.197
tors. eta vs tors. theta energy: -22.603
Dist. restrs. and SS energy: 1.339 (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: 6
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -274.595101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.595101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.946101 (E_RNA)
where:
Base-Base interactions energy: -187.687
where: short stacking energy: -64.939
Base-Backbone interact. energy: -0.288
local terms energy: -87.971202
where:
bonds (distance) C4'-P energy: -19.574
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -22.622
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -15.847
Dist. restrs. and SS energy: 1.351 (S_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: 143
Temperature: 1.200000
Total energy: -260.207549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.207549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.074436 (E_RNA)
where:
Base-Base interactions energy: -180.258
where: short stacking energy: -67.637
Base-Backbone interact. energy: 0.166
local terms energy: -83.982485
where:
bonds (distance) C4'-P energy: -17.462
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -14.220
tors. eta vs tors. theta energy: -17.356
Dist. restrs. and SS energy: 3.867 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -239.904333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.904333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.905449 (E_RNA)
where:
Base-Base interactions energy: -166.643
where: short stacking energy: -67.072
Base-Backbone interact. energy: -1.341
local terms energy: -79.922075
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -21.481
flat angles C4'-P-C4' energy: -19.135
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -12.317
Dist. restrs. and SS energy: 8.001 (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: 1
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -249.565876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.565876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.369022 (E_RNA)
where:
Base-Base interactions energy: -161.524
where: short stacking energy: -63.303
Base-Backbone interact. energy: -0.377
local terms energy: -88.468668
where:
bonds (distance) C4'-P energy: -10.552
bonds (distance) P-C4' energy: -21.142
flat angles C4'-P-C4' energy: -28.008
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -18.588
Dist. restrs. and SS energy: 0.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -227.247906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.247906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.396707 (E_RNA)
where:
Base-Base interactions energy: -147.327
where: short stacking energy: -69.579
Base-Backbone interact. energy: -1.421
local terms energy: -80.648419
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -19.122
flat angles C4'-P-C4' energy: -21.131
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -12.669
Dist. restrs. and SS energy: 2.149 (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: 10
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -358.964266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.964266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.139589 (E_RNA)
where:
Base-Base interactions energy: -244.541
where: short stacking energy: -91.813
Base-Backbone interact. energy: -0.723
local terms energy: -113.875560
where:
bonds (distance) C4'-P energy: -25.128
bonds (distance) P-C4' energy: -23.112
flat angles C4'-P-C4' energy: -25.537
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -27.515
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: 2, replica: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -354.929016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.929016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.514038 (E_RNA)
where:
Base-Base interactions energy: -244.097
where: short stacking energy: -96.873
Base-Backbone interact. energy: -1.121
local terms energy: -111.295867
where:
bonds (distance) C4'-P energy: -18.725
bonds (distance) P-C4' energy: -25.108
flat angles C4'-P-C4' energy: -23.530
flat angles P-C4'-P energy: -13.726
tors. eta vs tors. theta energy: -30.207
Dist. restrs. and SS energy: 1.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -355.063406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.063406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.293469 (E_RNA)
where:
Base-Base interactions energy: -251.132
where: short stacking energy: -95.352
Base-Backbone interact. energy: -0.551
local terms energy: -104.610107
where:
bonds (distance) C4'-P energy: -22.624
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -24.044
flat angles P-C4'-P energy: -15.424
tors. eta vs tors. theta energy: -26.035
Dist. restrs. and SS energy: 1.230 (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: 9
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -349.682974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.682974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.995008 (E_RNA)
where:
Base-Base interactions energy: -243.832
where: short stacking energy: -94.479
Base-Backbone interact. energy: -0.540
local terms energy: -106.622446
where:
bonds (distance) C4'-P energy: -23.396
bonds (distance) P-C4' energy: -19.069
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -18.795
tors. eta vs tors. theta energy: -27.459
Dist. restrs. and SS energy: 1.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -299.565824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.565824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.709476 (E_RNA)
where:
Base-Base interactions energy: -209.303
where: short stacking energy: -77.442
Base-Backbone interact. energy: -0.324
local terms energy: -93.082474
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -21.248
flat angles C4'-P-C4' energy: -20.408
flat angles P-C4'-P energy: -14.876
tors. eta vs tors. theta energy: -20.488
Dist. restrs. and SS energy: 3.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -292.544096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.544096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.266693 (E_RNA)
where:
Base-Base interactions energy: -192.732
where: short stacking energy: -80.419
Base-Backbone interact. energy: -0.289
local terms energy: -100.245533
where:
bonds (distance) C4'-P energy: -23.536
bonds (distance) P-C4' energy: -20.685
flat angles C4'-P-C4' energy: -22.028
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -24.064
Dist. restrs. and SS energy: 0.723 (S_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: 144
Temperature: 1.200000
Total energy: -242.411280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.411280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.107524 (E_RNA)
where:
Base-Base interactions energy: -163.485
where: short stacking energy: -66.933
Base-Backbone interact. energy: 4.096
local terms energy: -91.718022
where:
bonds (distance) C4'-P energy: -22.641
bonds (distance) P-C4' energy: -19.697
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -17.950
tors. eta vs tors. theta energy: -12.790
Dist. restrs. and SS energy: 8.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -220.351890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.351890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.468946 (E_RNA)
where:
Base-Base interactions energy: -160.520
where: short stacking energy: -65.217
Base-Backbone interact. energy: -0.835
local terms energy: -59.113874
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -6.656
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: 1
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -251.883699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.883699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.974463 (E_RNA)
where:
Base-Base interactions energy: -170.282
where: short stacking energy: -61.877
Base-Backbone interact. energy: 1.729
local terms energy: -84.421126
where:
bonds (distance) C4'-P energy: -20.019
bonds (distance) P-C4' energy: -20.501
flat angles C4'-P-C4' energy: -19.308
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -16.111
Dist. restrs. and SS energy: 1.091 (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: 5
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -242.443352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.443352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.239091 (E_RNA)
where:
Base-Base interactions energy: -162.237
where: short stacking energy: -67.218
Base-Backbone interact. energy: -0.319
local terms energy: -84.682583
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -23.231
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -14.447
tors. eta vs tors. theta energy: -12.006
Dist. restrs. and SS energy: 4.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -353.263837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.263837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.690887 (E_RNA)
where:
Base-Base interactions energy: -245.390
where: short stacking energy: -101.119
Base-Backbone interact. energy: -0.358
local terms energy: -107.942701
where:
bonds (distance) C4'-P energy: -19.718
bonds (distance) P-C4' energy: -22.317
flat angles C4'-P-C4' energy: -24.698
flat angles P-C4'-P energy: -18.292
tors. eta vs tors. theta energy: -22.918
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: 2, replica: 2
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -363.786011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.786011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.518929 (E_RNA)
where:
Base-Base interactions energy: -253.179
where: short stacking energy: -96.475
Base-Backbone interact. energy: -0.366
local terms energy: -111.974704
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -24.796
flat angles C4'-P-C4' energy: -22.162
flat angles P-C4'-P energy: -18.356
tors. eta vs tors. theta energy: -28.629
Dist. restrs. and SS energy: 1.733 (S_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: 145
Temperature: 1.000000
Total energy: -368.043655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.043655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.552199 (E_RNA)
where:
Base-Base interactions energy: -260.614
where: short stacking energy: -91.952
Base-Backbone interact. energy: -0.630
local terms energy: -108.308617
where:
bonds (distance) C4'-P energy: -21.672
bonds (distance) P-C4' energy: -21.752
flat angles C4'-P-C4' energy: -21.665
flat angles P-C4'-P energy: -15.354
tors. eta vs tors. theta energy: -27.867
Dist. restrs. and SS energy: 1.509 (S_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: 145
Temperature: 1.050000
Total energy: -345.976970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.976970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.406240 (E_RNA)
where:
Base-Base interactions energy: -242.832
where: short stacking energy: -97.988
Base-Backbone interact. energy: -1.651
local terms energy: -102.923964
where:
bonds (distance) C4'-P energy: -19.830
bonds (distance) P-C4' energy: -23.664
flat angles C4'-P-C4' energy: -22.746
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -26.733
Dist. restrs. and SS energy: 1.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -293.579609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.579609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.540715 (E_RNA)
where:
Base-Base interactions energy: -207.854
where: short stacking energy: -92.557
Base-Backbone interact. energy: -0.250
local terms energy: -92.436546
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -21.686
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -23.067
Dist. restrs. and SS energy: 6.961 (S_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: 145
Temperature: 1.150000
Total energy: -288.201020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.201020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.181834 (E_RNA)
where:
Base-Base interactions energy: -191.655
where: short stacking energy: -77.772
Base-Backbone interact. energy: -0.343
local terms energy: -98.183818
where:
bonds (distance) C4'-P energy: -25.121
bonds (distance) P-C4' energy: -22.699
flat angles C4'-P-C4' energy: -23.143
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -16.460
Dist. restrs. and SS energy: 1.981 (S_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: 145
Temperature: 1.200000
Total energy: -287.877558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.877558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.615162 (E_RNA)
where:
Base-Base interactions energy: -204.877
where: short stacking energy: -84.249
Base-Backbone interact. energy: -0.142
local terms energy: -85.596428
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -20.547
flat angles C4'-P-C4' energy: -22.189
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -18.188
Dist. restrs. and SS energy: 2.738 (S_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: -253.345956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.345956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.262974 (E_RNA)
where:
Base-Base interactions energy: -173.264
where: short stacking energy: -76.812
Base-Backbone interact. energy: -0.004
local terms energy: -83.995105
where:
bonds (distance) C4'-P energy: -16.701
bonds (distance) P-C4' energy: -20.691
flat angles C4'-P-C4' energy: -19.752
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -15.279
Dist. restrs. and SS energy: 3.917 (S_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: 145
Temperature: 1.300000
Total energy: -220.208601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.208601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.532417 (E_RNA)
where:
Base-Base interactions energy: -147.709
where: short stacking energy: -54.288
Base-Backbone interact. energy: 0.219
local terms energy: -73.042629
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -24.971
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -4.578
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: 10, replica: 5
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -202.483263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.483263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.437105 (E_RNA)
where:
Base-Base interactions energy: -128.441
where: short stacking energy: -52.233
Base-Backbone interact. energy: 3.430
local terms energy: -83.426452
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -19.176
flat angles C4'-P-C4' energy: -21.224
flat angles P-C4'-P energy: -15.766
tors. eta vs tors. theta energy: -9.032
Dist. restrs. and SS energy: 5.954 (S_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: 146
Temperature: 0.900000
Total energy: -365.571230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.571230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.048901 (E_RNA)
where:
Base-Base interactions energy: -248.596
where: short stacking energy: -95.041
Base-Backbone interact. energy: -0.530
local terms energy: -117.923229
where:
bonds (distance) C4'-P energy: -23.078
bonds (distance) P-C4' energy: -27.201
flat angles C4'-P-C4' energy: -21.122
flat angles P-C4'-P energy: -15.526
tors. eta vs tors. theta energy: -30.996
Dist. restrs. and SS energy: 1.478 (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: 10
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -347.668341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.668341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.773019 (E_RNA)
where:
Base-Base interactions energy: -239.901
where: short stacking energy: -90.929
Base-Backbone interact. energy: 0.899
local terms energy: -108.771796
where:
bonds (distance) C4'-P energy: -24.136
bonds (distance) P-C4' energy: -24.354
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -18.331
tors. eta vs tors. theta energy: -24.245
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: 4
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -345.687377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.687377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.112083 (E_RNA)
where:
Base-Base interactions energy: -236.348
where: short stacking energy: -85.988
Base-Backbone interact. energy: -1.251
local terms energy: -109.513868
where:
bonds (distance) C4'-P energy: -26.077
bonds (distance) P-C4' energy: -21.314
flat angles C4'-P-C4' energy: -22.286
flat angles P-C4'-P energy: -13.378
tors. eta vs tors. theta energy: -26.460
Dist. restrs. and SS energy: 1.425 (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: 9
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -344.344076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.344076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.242514 (E_RNA)
where:
Base-Base interactions energy: -250.299
where: short stacking energy: -97.760
Base-Backbone interact. energy: -1.376
local terms energy: -93.567312
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -18.488
flat angles C4'-P-C4' energy: -24.371
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -22.637
Dist. restrs. and SS energy: 0.898 (S_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: 146
Temperature: 1.100000
Total energy: -283.753479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.753479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.094023 (E_RNA)
where:
Base-Base interactions energy: -193.114
where: short stacking energy: -75.481
Base-Backbone interact. energy: -0.209
local terms energy: -91.771574
where:
bonds (distance) C4'-P energy: -22.092
bonds (distance) P-C4' energy: -18.705
flat angles C4'-P-C4' energy: -23.744
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -13.769
Dist. restrs. and SS energy: 1.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -294.172308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.172308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.753023 (E_RNA)
where:
Base-Base interactions energy: -200.557
where: short stacking energy: -76.524
Base-Backbone interact. energy: -0.492
local terms energy: -93.704018
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -21.905
flat angles C4'-P-C4' energy: -24.071
flat angles P-C4'-P energy: -15.533
tors. eta vs tors. theta energy: -17.203
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: 7, replica: 3
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -298.281459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.281459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.670046 (E_RNA)
where:
Base-Base interactions energy: -201.421
where: short stacking energy: -80.177
Base-Backbone interact. energy: -0.227
local terms energy: -98.021618
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -24.539
flat angles C4'-P-C4' energy: -22.766
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -22.300
Dist. restrs. and SS energy: 1.389 (S_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: 146
Temperature: 1.250000
Total energy: -246.599556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.599556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.818986 (E_RNA)
where:
Base-Base interactions energy: -164.413
where: short stacking energy: -59.869
Base-Backbone interact. energy: -2.275
local terms energy: -86.130614
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -24.925
flat angles C4'-P-C4' energy: -21.205
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -12.096
Dist. restrs. and SS energy: 6.219 (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: 8
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -236.589603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.589603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.700256 (E_RNA)
where:
Base-Base interactions energy: -165.260
where: short stacking energy: -63.204
Base-Backbone interact. energy: -0.897
local terms energy: -70.543209
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -9.431
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: 5
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -227.657071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.657071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.150433 (E_RNA)
where:
Base-Base interactions energy: -150.017
where: short stacking energy: -64.021
Base-Backbone interact. energy: -0.073
local terms energy: -81.060122
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -21.880
flat angles C4'-P-C4' energy: -23.451
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -10.017
Dist. restrs. and SS energy: 3.493 (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: 2
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -364.043787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.043787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.768640 (E_RNA)
where:
Base-Base interactions energy: -255.068
where: short stacking energy: -95.719
Base-Backbone interact. energy: -0.670
local terms energy: -109.029843
where:
bonds (distance) C4'-P energy: -19.415
bonds (distance) P-C4' energy: -23.252
flat angles C4'-P-C4' energy: -22.081
flat angles P-C4'-P energy: -18.176
tors. eta vs tors. theta energy: -26.106
Dist. restrs. and SS energy: 0.725 (S_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: 147
Temperature: 0.950000
Total energy: -365.440240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.440240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.353035 (E_RNA)
where:
Base-Base interactions energy: -253.767
where: short stacking energy: -98.271
Base-Backbone interact. energy: -1.268
local terms energy: -111.317993
where:
bonds (distance) C4'-P energy: -20.916
bonds (distance) P-C4' energy: -23.385
flat angles C4'-P-C4' energy: -23.988
flat angles P-C4'-P energy: -14.301
tors. eta vs tors. theta energy: -28.729
Dist. restrs. and SS energy: 0.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -352.109441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.109441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.955572 (E_RNA)
where:
Base-Base interactions energy: -256.620
where: short stacking energy: -89.496
Base-Backbone interact. energy: -1.099
local terms energy: -95.236339
where:
bonds (distance) C4'-P energy: -20.785
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -20.460
flat angles P-C4'-P energy: -15.788
tors. eta vs tors. theta energy: -23.049
Dist. restrs. and SS energy: 0.846 (S_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: -344.341517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.341517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.454076 (E_RNA)
where:
Base-Base interactions energy: -237.826
where: short stacking energy: -99.988
Base-Backbone interact. energy: -2.591
local terms energy: -106.036650
where:
bonds (distance) C4'-P energy: -23.150
bonds (distance) P-C4' energy: -19.991
flat angles C4'-P-C4' energy: -20.526
flat angles P-C4'-P energy: -15.866
tors. eta vs tors. theta energy: -26.504
Dist. restrs. and SS energy: 2.113 (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: 7
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -277.690840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.690840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.003171 (E_RNA)
where:
Base-Base interactions energy: -176.556
where: short stacking energy: -77.845
Base-Backbone interact. energy: -0.245
local terms energy: -102.202674
where:
bonds (distance) C4'-P energy: -21.633
bonds (distance) P-C4' energy: -20.360
flat angles C4'-P-C4' energy: -24.867
flat angles P-C4'-P energy: -17.894
tors. eta vs tors. theta energy: -17.449
Dist. restrs. and SS energy: 1.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -297.518336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.518336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.513661 (E_RNA)
where:
Base-Base interactions energy: -194.602
where: short stacking energy: -83.625
Base-Backbone interact. energy: -0.537
local terms energy: -104.375393
where:
bonds (distance) C4'-P energy: -17.785
bonds (distance) P-C4' energy: -25.177
flat angles C4'-P-C4' energy: -22.245
flat angles P-C4'-P energy: -15.312
tors. eta vs tors. theta energy: -23.856
Dist. restrs. and SS energy: 1.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -273.390060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.390060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.339789 (E_RNA)
where:
Base-Base interactions energy: -184.410
where: short stacking energy: -68.666
Base-Backbone interact. energy: -0.272
local terms energy: -92.657405
where:
bonds (distance) C4'-P energy: -21.146
bonds (distance) P-C4' energy: -21.080
flat angles C4'-P-C4' energy: -18.375
flat angles P-C4'-P energy: -16.397
tors. eta vs tors. theta energy: -15.659
Dist. restrs. and SS energy: 3.950 (S_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: 147
Temperature: 1.250000
Total energy: -248.308114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.308114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.443463 (E_RNA)
where:
Base-Base interactions energy: -159.239
where: short stacking energy: -70.048
Base-Backbone interact. energy: -0.416
local terms energy: -92.788390
where:
bonds (distance) C4'-P energy: -16.724
bonds (distance) P-C4' energy: -25.737
flat angles C4'-P-C4' energy: -19.324
flat angles P-C4'-P energy: -15.912
tors. eta vs tors. theta energy: -15.091
Dist. restrs. and SS energy: 4.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -206.800714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.800714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.840113 (E_RNA)
where:
Base-Base interactions energy: -136.962
where: short stacking energy: -56.265
Base-Backbone interact. energy: -0.365
local terms energy: -74.513531
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -16.527
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -13.532
tors. eta vs tors. theta energy: -9.675
Dist. restrs. and SS energy: 5.039 (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: 147
Temperature: 1.350000
Total energy: -245.943330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.943330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.152999 (E_RNA)
where:
Base-Base interactions energy: -166.696
where: short stacking energy: -70.971
Base-Backbone interact. energy: -0.392
local terms energy: -91.065725
where:
bonds (distance) C4'-P energy: -19.152
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -22.883
flat angles P-C4'-P energy: -15.096
tors. eta vs tors. theta energy: -20.282
Dist. restrs. and SS energy: 12.210 (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: 2
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -367.886713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.886713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.921258 (E_RNA)
where:
Base-Base interactions energy: -258.527
where: short stacking energy: -97.513
Base-Backbone interact. energy: -0.970
local terms energy: -110.423886
where:
bonds (distance) C4'-P energy: -19.759
bonds (distance) P-C4' energy: -20.567
flat angles C4'-P-C4' energy: -21.189
flat angles P-C4'-P energy: -17.678
tors. eta vs tors. theta energy: -31.231
Dist. restrs. and SS energy: 2.035 (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: 4
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -360.215188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.215188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.924063 (E_RNA)
where:
Base-Base interactions energy: -246.994
where: short stacking energy: -93.288
Base-Backbone interact. energy: 1.381
local terms energy: -115.310501
where:
bonds (distance) C4'-P energy: -22.654
bonds (distance) P-C4' energy: -26.966
flat angles C4'-P-C4' energy: -24.076
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -30.458
Dist. restrs. and SS energy: 0.709 (S_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: -363.098116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.098116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.662541 (E_RNA)
where:
Base-Base interactions energy: -252.592
where: short stacking energy: -89.971
Base-Backbone interact. energy: -1.515
local terms energy: -110.556266
where:
bonds (distance) C4'-P energy: -21.398
bonds (distance) P-C4' energy: -24.270
flat angles C4'-P-C4' energy: -23.077
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -27.911
Dist. restrs. and SS energy: 1.564 (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: 10
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -319.409604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.409604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.305452 (E_RNA)
where:
Base-Base interactions energy: -229.008
where: short stacking energy: -93.445
Base-Backbone interact. energy: 0.138
local terms energy: -92.434686
where:
bonds (distance) C4'-P energy: -20.102
bonds (distance) P-C4' energy: -22.639
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -21.608
Dist. restrs. and SS energy: 1.896 (S_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: 148
Temperature: 1.100000
Total energy: -304.394910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.394910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.227368 (E_RNA)
where:
Base-Base interactions energy: -200.538
where: short stacking energy: -81.777
Base-Backbone interact. energy: -0.713
local terms energy: -103.976540
where:
bonds (distance) C4'-P energy: -20.182
bonds (distance) P-C4' energy: -24.191
flat angles C4'-P-C4' energy: -21.189
flat angles P-C4'-P energy: -15.583
tors. eta vs tors. theta energy: -22.832
Dist. restrs. and SS energy: 0.832 (S_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: 148
Temperature: 1.150000
Total energy: -298.262546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.262546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.101064 (E_RNA)
where:
Base-Base interactions energy: -205.217
where: short stacking energy: -78.524
Base-Backbone interact. energy: -0.594
local terms energy: -94.290650
where:
bonds (distance) C4'-P energy: -18.963
bonds (distance) P-C4' energy: -19.671
flat angles C4'-P-C4' energy: -20.879
flat angles P-C4'-P energy: -13.669
tors. eta vs tors. theta energy: -21.109
Dist. restrs. and SS energy: 1.839 (S_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: 148
Temperature: 1.200000
Total energy: -271.822154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.822154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.541803 (E_RNA)
where:
Base-Base interactions energy: -183.544
where: short stacking energy: -75.569
Base-Backbone interact. energy: -0.070
local terms energy: -91.928161
where:
bonds (distance) C4'-P energy: -19.263
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -23.507
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -16.912
Dist. restrs. and SS energy: 3.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -243.284468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.284468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.123254 (E_RNA)
where:
Base-Base interactions energy: -161.107
where: short stacking energy: -72.542
Base-Backbone interact. energy: 1.393
local terms energy: -87.409181
where:
bonds (distance) C4'-P energy: -22.098
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -23.239
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -16.821
Dist. restrs. and SS energy: 3.839 (S_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: -230.109360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.109360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.568696 (E_RNA)
where:
Base-Base interactions energy: -145.941
where: short stacking energy: -59.722
Base-Backbone interact. energy: -0.778
local terms energy: -83.849362
where:
bonds (distance) C4'-P energy: -20.831
bonds (distance) P-C4' energy: -18.818
flat angles C4'-P-C4' energy: -23.096
flat angles P-C4'-P energy: -13.280
tors. eta vs tors. theta energy: -7.823
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: 10, replica: 8
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -191.218063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.218063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.276157 (E_RNA)
where:
Base-Base interactions energy: -121.349
where: short stacking energy: -45.872
Base-Backbone interact. energy: -0.840
local terms energy: -70.087172
where:
bonds (distance) C4'-P energy: -19.506
bonds (distance) P-C4' energy: -19.907
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -6.391
Dist. restrs. and SS energy: 1.058 (S_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: 149
Temperature: 0.900000
Total energy: -367.954395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.954395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.084347 (E_RNA)
where:
Base-Base interactions energy: -267.335
where: short stacking energy: -97.959
Base-Backbone interact. energy: -0.726
local terms energy: -102.023410
where:
bonds (distance) C4'-P energy: -18.675
bonds (distance) P-C4' energy: -22.247
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -15.372
tors. eta vs tors. theta energy: -30.206
Dist. restrs. and SS energy: 2.130 (S_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: -361.405069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.405069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.699718 (E_RNA)
where:
Base-Base interactions energy: -251.183
where: short stacking energy: -100.578
Base-Backbone interact. energy: -1.416
local terms energy: -110.100682
where:
bonds (distance) C4'-P energy: -18.243
bonds (distance) P-C4' energy: -21.110
flat angles C4'-P-C4' energy: -23.399
flat angles P-C4'-P energy: -19.119
tors. eta vs tors. theta energy: -28.231
Dist. restrs. and SS energy: 1.295 (S_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: 149
Temperature: 1.000000
Total energy: -336.471024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.471024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.187746 (E_RNA)
where:
Base-Base interactions energy: -223.705
where: short stacking energy: -87.324
Base-Backbone interact. energy: -0.736
local terms energy: -112.746767
where:
bonds (distance) C4'-P energy: -20.037
bonds (distance) P-C4' energy: -25.287
flat angles C4'-P-C4' energy: -20.921
flat angles P-C4'-P energy: -18.494
tors. eta vs tors. theta energy: -28.008
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: 4, replica: 10
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -329.498432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.498432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.499740 (E_RNA)
where:
Base-Base interactions energy: -227.495
where: short stacking energy: -83.731
Base-Backbone interact. energy: 1.250
local terms energy: -103.254054
where:
bonds (distance) C4'-P energy: -27.889
bonds (distance) P-C4' energy: -21.943
flat angles C4'-P-C4' energy: -22.411
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -21.071
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: 149
Temperature: 1.100000
Total energy: -302.257785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.257785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.706785 (E_RNA)
where:
Base-Base interactions energy: -215.189
where: short stacking energy: -87.411
Base-Backbone interact. energy: -0.814
local terms energy: -87.704221
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -18.384
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -17.596
tors. eta vs tors. theta energy: -23.103
Dist. restrs. and SS energy: 1.449 (S_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: -297.985470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.985470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.261593 (E_RNA)
where:
Base-Base interactions energy: -200.107
where: short stacking energy: -89.669
Base-Backbone interact. energy: -0.506
local terms energy: -97.648566
where:
bonds (distance) C4'-P energy: -18.096
bonds (distance) P-C4' energy: -24.425
flat angles C4'-P-C4' energy: -22.473
flat angles P-C4'-P energy: -14.759
tors. eta vs tors. theta energy: -17.895
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: 7, replica: 1
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -260.564006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.564006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.029339 (E_RNA)
where:
Base-Base interactions energy: -174.280
where: short stacking energy: -68.497
Base-Backbone interact. energy: -0.004
local terms energy: -87.745649
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -19.361
flat angles C4'-P-C4' energy: -23.328
flat angles P-C4'-P energy: -14.754
tors. eta vs tors. theta energy: -15.239
Dist. restrs. and SS energy: 1.465 (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: 6
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -256.875215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.875215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.324761 (E_RNA)
where:
Base-Base interactions energy: -164.204
where: short stacking energy: -67.961
Base-Backbone interact. energy: -0.257
local terms energy: -92.863778
where:
bonds (distance) C4'-P energy: -19.361
bonds (distance) P-C4' energy: -17.645
flat angles C4'-P-C4' energy: -22.295
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -23.805
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: 9, replica: 5
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -241.983284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.983284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.864001 (E_RNA)
where:
Base-Base interactions energy: -155.368
where: short stacking energy: -54.577
Base-Backbone interact. energy: -0.219
local terms energy: -91.276872
where:
bonds (distance) C4'-P energy: -21.699
bonds (distance) P-C4' energy: -20.275
flat angles C4'-P-C4' energy: -22.544
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -15.330
Dist. restrs. and SS energy: 4.881 (S_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: 149
Temperature: 1.350000
Total energy: -214.235555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.235555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.762595 (E_RNA)
where:
Base-Base interactions energy: -142.017
where: short stacking energy: -53.460
Base-Backbone interact. energy: -0.128
local terms energy: -76.617173
where:
bonds (distance) C4'-P energy: -16.724
bonds (distance) P-C4' energy: -18.613
flat angles C4'-P-C4' energy: -18.737
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -12.371
Dist. restrs. and SS energy: 4.527 (S_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: -374.478687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.478687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.969847 (E_RNA)
where:
Base-Base interactions energy: -261.062
where: short stacking energy: -110.053
Base-Backbone interact. energy: -1.164
local terms energy: -113.744262
where:
bonds (distance) C4'-P energy: -25.357
bonds (distance) P-C4' energy: -23.468
flat angles C4'-P-C4' energy: -21.521
flat angles P-C4'-P energy: -14.697
tors. eta vs tors. theta energy: -28.702
Dist. restrs. and SS energy: 1.491 (S_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: 150
Temperature: 0.950000
Total energy: -359.388758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.388758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.316918 (E_RNA)
where:
Base-Base interactions energy: -246.460
where: short stacking energy: -94.175
Base-Backbone interact. energy: 2.321
local terms energy: -116.178655
where:
bonds (distance) C4'-P energy: -23.389
bonds (distance) P-C4' energy: -26.093
flat angles C4'-P-C4' energy: -23.551
flat angles P-C4'-P energy: -15.949
tors. eta vs tors. theta energy: -27.197
Dist. restrs. and SS energy: 0.928 (S_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: 150
Temperature: 1.000000
Total energy: -356.386953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.386953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.989288 (E_RNA)
where:
Base-Base interactions energy: -249.757
where: short stacking energy: -101.146
Base-Backbone interact. energy: -0.439
local terms energy: -107.793957
where:
bonds (distance) C4'-P energy: -19.283
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -20.012
flat angles P-C4'-P energy: -16.666
tors. eta vs tors. theta energy: -31.930
Dist. restrs. and SS energy: 1.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -343.182227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.182227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.742068 (E_RNA)
where:
Base-Base interactions energy: -238.632
where: short stacking energy: -87.521
Base-Backbone interact. energy: -0.874
local terms energy: -105.236223
where:
bonds (distance) C4'-P energy: -24.968
bonds (distance) P-C4' energy: -23.582
flat angles C4'-P-C4' energy: -23.483
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -23.743
Dist. restrs. and SS energy: 1.560 (S_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: -319.028417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.028417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.268665 (E_RNA)
where:
Base-Base interactions energy: -222.419
where: short stacking energy: -98.681
Base-Backbone interact. energy: -0.256
local terms energy: -97.594162
where:
bonds (distance) C4'-P energy: -18.840
bonds (distance) P-C4' energy: -17.708
flat angles C4'-P-C4' energy: -19.679
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: -27.482
Dist. restrs. and SS energy: 1.240 (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: 3
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -300.153672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.153672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.647356 (E_RNA)
where:
Base-Base interactions energy: -199.266
where: short stacking energy: -83.322
Base-Backbone interact. energy: -0.824
local terms energy: -101.557306
where:
bonds (distance) C4'-P energy: -23.377
bonds (distance) P-C4' energy: -21.609
flat angles C4'-P-C4' energy: -22.079
flat angles P-C4'-P energy: -13.752
tors. eta vs tors. theta energy: -20.740
Dist. restrs. and SS energy: 1.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -278.323646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.323646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.118895 (E_RNA)
where:
Base-Base interactions energy: -188.507
where: short stacking energy: -83.523
Base-Backbone interact. energy: -0.853
local terms energy: -94.759171
where:
bonds (distance) C4'-P energy: -18.554
bonds (distance) P-C4' energy: -24.607
flat angles C4'-P-C4' energy: -23.559
flat angles P-C4'-P energy: -12.366
tors. eta vs tors. theta energy: -15.673
Dist. restrs. and SS energy: 5.795 (S_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: 150
Temperature: 1.250000
Total energy: -239.677188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.677188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.402236 (E_RNA)
where:
Base-Base interactions energy: -165.453
where: short stacking energy: -62.476
Base-Backbone interact. energy: -0.823
local terms energy: -75.125542
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -17.360
flat angles C4'-P-C4' energy: -19.881
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -8.326
Dist. restrs. and SS energy: 1.725 (S_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: 150
Temperature: 1.300000
Total energy: -225.764812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.764812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.506285 (E_RNA)
where:
Base-Base interactions energy: -150.471
where: short stacking energy: -59.473
Base-Backbone interact. energy: 0.046
local terms energy: -77.081231
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -20.709
flat angles C4'-P-C4' energy: -20.573
flat angles P-C4'-P energy: -14.425
tors. eta vs tors. theta energy: -8.812
Dist. restrs. and SS energy: 1.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -226.839700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.839700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.368716 (E_RNA)
where:
Base-Base interactions energy: -139.802
where: short stacking energy: -52.806
Base-Backbone interact. energy: -0.426
local terms energy: -90.140922
where:
bonds (distance) C4'-P energy: -20.036
bonds (distance) P-C4' energy: -24.203
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -16.290
tors. eta vs tors. theta energy: -11.729
Dist. restrs. and SS energy: 3.529 (S_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: -369.511621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.511621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.291660 (E_RNA)
where:
Base-Base interactions energy: -248.943
where: short stacking energy: -99.869
Base-Backbone interact. energy: -1.283
local terms energy: -120.065541
where:
bonds (distance) C4'-P energy: -26.974
bonds (distance) P-C4' energy: -18.896
flat angles C4'-P-C4' energy: -22.592
flat angles P-C4'-P energy: -20.848
tors. eta vs tors. theta energy: -30.756
Dist. restrs. and SS energy: 0.780 (S_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: 151
Temperature: 0.950000
Total energy: -364.478479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.478479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.532718 (E_RNA)
where:
Base-Base interactions energy: -252.014
where: short stacking energy: -92.795
Base-Backbone interact. energy: -0.947
local terms energy: -111.571179
where:
bonds (distance) C4'-P energy: -23.865
bonds (distance) P-C4' energy: -21.596
flat angles C4'-P-C4' energy: -28.871
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -27.025
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: 2
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -349.791265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.791265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.279436 (E_RNA)
where:
Base-Base interactions energy: -256.334
where: short stacking energy: -93.981
Base-Backbone interact. energy: 0.202
local terms energy: -95.147128
where:
bonds (distance) C4'-P energy: -17.899
bonds (distance) P-C4' energy: -17.719
flat angles C4'-P-C4' energy: -18.944
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -27.683
Dist. restrs. and SS energy: 1.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -331.240881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.240881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.256179 (E_RNA)
where:
Base-Base interactions energy: -235.939
where: short stacking energy: -86.262
Base-Backbone interact. energy: -0.303
local terms energy: -95.014387
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -19.448
flat angles C4'-P-C4' energy: -21.429
flat angles P-C4'-P energy: -14.760
tors. eta vs tors. theta energy: -21.139
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: 7
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -313.062346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.062346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.457903 (E_RNA)
where:
Base-Base interactions energy: -211.329
where: short stacking energy: -79.528
Base-Backbone interact. energy: -0.141
local terms energy: -102.987966
where:
bonds (distance) C4'-P energy: -24.246
bonds (distance) P-C4' energy: -20.565
flat angles C4'-P-C4' energy: -21.931
flat angles P-C4'-P energy: -14.071
tors. eta vs tors. theta energy: -22.175
Dist. restrs. and SS energy: 1.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -285.604640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.604640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.372448 (E_RNA)
where:
Base-Base interactions energy: -202.839
where: short stacking energy: -65.685
Base-Backbone interact. energy: 0.397
local terms energy: -85.931274
where:
bonds (distance) C4'-P energy: -21.318
bonds (distance) P-C4' energy: -20.491
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -14.528
tors. eta vs tors. theta energy: -11.941
Dist. restrs. and SS energy: 2.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -282.578989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.578989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.114452 (E_RNA)
where:
Base-Base interactions energy: -200.639
where: short stacking energy: -94.696
Base-Backbone interact. energy: -0.051
local terms energy: -87.424650
where:
bonds (distance) C4'-P energy: -21.669
bonds (distance) P-C4' energy: -8.509
flat angles C4'-P-C4' energy: -19.847
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -24.600
Dist. restrs. and SS energy: 5.535 (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: 1
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -242.240140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.240140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.937726 (E_RNA)
where:
Base-Base interactions energy: -160.853
where: short stacking energy: -55.606
Base-Backbone interact. energy: -0.699
local terms energy: -81.385687
where:
bonds (distance) C4'-P energy: -16.897
bonds (distance) P-C4' energy: -25.110
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -9.091
Dist. restrs. and SS energy: 0.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -221.009074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.009074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.948980 (E_RNA)
where:
Base-Base interactions energy: -139.769
where: short stacking energy: -63.267
Base-Backbone interact. energy: -1.412
local terms energy: -80.768434
where:
bonds (distance) C4'-P energy: -18.352
bonds (distance) P-C4' energy: -23.446
flat angles C4'-P-C4' energy: -20.380
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -9.121
Dist. restrs. and SS energy: 0.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -220.008640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.008640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.293322 (E_RNA)
where:
Base-Base interactions energy: -150.295
where: short stacking energy: -60.910
Base-Backbone interact. energy: 0.168
local terms energy: -74.165854
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -21.511
flat angles C4'-P-C4' energy: -19.440
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -2.903
Dist. restrs. and SS energy: 4.285 (S_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: 152
Temperature: 0.900000
Total energy: -360.598922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.598922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.134098 (E_RNA)
where:
Base-Base interactions energy: -247.632
where: short stacking energy: -100.044
Base-Backbone interact. energy: -0.721
local terms energy: -112.780909
where:
bonds (distance) C4'-P energy: -23.596
bonds (distance) P-C4' energy: -24.970
flat angles C4'-P-C4' energy: -18.450
flat angles P-C4'-P energy: -14.624
tors. eta vs tors. theta energy: -31.141
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: 2, replica: 9
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -352.992378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.992378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.013363 (E_RNA)
where:
Base-Base interactions energy: -247.748
where: short stacking energy: -100.705
Base-Backbone interact. energy: -1.909
local terms energy: -104.356187
where:
bonds (distance) C4'-P energy: -19.504
bonds (distance) P-C4' energy: -22.856
flat angles C4'-P-C4' energy: -18.150
flat angles P-C4'-P energy: -15.459
tors. eta vs tors. theta energy: -28.388
Dist. restrs. and SS energy: 1.021 (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: 152
Temperature: 1.000000
Total energy: -354.139270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.139270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.143511 (E_RNA)
where:
Base-Base interactions energy: -246.697
where: short stacking energy: -90.155
Base-Backbone interact. energy: -1.446
local terms energy: -106.001390
where:
bonds (distance) C4'-P energy: -24.620
bonds (distance) P-C4' energy: -22.021
flat angles C4'-P-C4' energy: -23.430
flat angles P-C4'-P energy: -16.705
tors. eta vs tors. theta energy: -19.225
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: 2
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -350.461879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.461879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.542614 (E_RNA)
where:
Base-Base interactions energy: -247.483
where: short stacking energy: -96.275
Base-Backbone interact. energy: -0.130
local terms energy: -103.929725
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -26.043
flat angles C4'-P-C4' energy: -19.962
flat angles P-C4'-P energy: -18.305
tors. eta vs tors. theta energy: -26.250
Dist. restrs. and SS energy: 1.081 (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: 7
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -306.865085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.865085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.525434 (E_RNA)
where:
Base-Base interactions energy: -197.007
where: short stacking energy: -84.688
Base-Backbone interact. energy: -0.609
local terms energy: -113.909694
where:
bonds (distance) C4'-P energy: -22.463
bonds (distance) P-C4' energy: -24.759
flat angles C4'-P-C4' energy: -23.859
flat angles P-C4'-P energy: -17.938
tors. eta vs tors. theta energy: -24.890
Dist. restrs. and SS energy: 4.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -259.495781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.495781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.140583 (E_RNA)
where:
Base-Base interactions energy: -170.306
where: short stacking energy: -64.516
Base-Backbone interact. energy: 0.512
local terms energy: -93.346360
where:
bonds (distance) C4'-P energy: -22.977
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -24.096
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -16.236
Dist. restrs. and SS energy: 3.645 (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: 1
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -280.575634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.575634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.498907 (E_RNA)
where:
Base-Base interactions energy: -188.093
where: short stacking energy: -77.451
Base-Backbone interact. energy: -0.240
local terms energy: -93.165646
where:
bonds (distance) C4'-P energy: -23.517
bonds (distance) P-C4' energy: -17.627
flat angles C4'-P-C4' energy: -19.703
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -20.552
Dist. restrs. and SS energy: 0.923 (S_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: 152
Temperature: 1.250000
Total energy: -265.307580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.307580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.696337 (E_RNA)
where:
Base-Base interactions energy: -184.507
where: short stacking energy: -74.403
Base-Backbone interact. energy: 0.538
local terms energy: -81.727329
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -19.732
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -15.138
tors. eta vs tors. theta energy: -16.084
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: 9, replica: 8
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -217.829411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.829411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.101047 (E_RNA)
where:
Base-Base interactions energy: -145.446
where: short stacking energy: -55.312
Base-Backbone interact. energy: -0.562
local terms energy: -72.093076
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -21.928
flat angles C4'-P-C4' energy: -20.209
flat angles P-C4'-P energy: -12.466
tors. eta vs tors. theta energy: -2.112
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: 10, replica: 5
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -229.337498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.337498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.602830 (E_RNA)
where:
Base-Base interactions energy: -157.984
where: short stacking energy: -75.743
Base-Backbone interact. energy: -0.501
local terms energy: -77.117710
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -12.260
flat angles P-C4'-P energy: -14.401
tors. eta vs tors. theta energy: -13.489
Dist. restrs. and SS energy: 6.265 (S_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: 153
Temperature: 0.900000
Total energy: -369.699061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.699061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.674037 (E_RNA)
where:
Base-Base interactions energy: -254.634
where: short stacking energy: -109.810
Base-Backbone interact. energy: -1.480
local terms energy: -115.560581
where:
bonds (distance) C4'-P energy: -25.128
bonds (distance) P-C4' energy: -25.466
flat angles C4'-P-C4' energy: -24.790
flat angles P-C4'-P energy: -14.809
tors. eta vs tors. theta energy: -25.368
Dist. restrs. and SS energy: 1.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -348.563474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.563474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.678796 (E_RNA)
where:
Base-Base interactions energy: -243.391
where: short stacking energy: -99.778
Base-Backbone interact. energy: -1.068
local terms energy: -104.219356
where:
bonds (distance) C4'-P energy: -20.455
bonds (distance) P-C4' energy: -19.259
flat angles C4'-P-C4' energy: -22.678
flat angles P-C4'-P energy: -17.144
tors. eta vs tors. theta energy: -24.682
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: 3, replica: 9
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -359.852896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.852896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.182089 (E_RNA)
where:
Base-Base interactions energy: -252.318
where: short stacking energy: -95.707
Base-Backbone interact. energy: -1.048
local terms energy: -107.816023
where:
bonds (distance) C4'-P energy: -20.465
bonds (distance) P-C4' energy: -18.465
flat angles C4'-P-C4' energy: -25.779
flat angles P-C4'-P energy: -15.236
tors. eta vs tors. theta energy: -27.871
Dist. restrs. and SS energy: 1.329 (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: 7
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -315.726825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.726825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.814117 (E_RNA)
where:
Base-Base interactions energy: -229.741
where: short stacking energy: -95.204
Base-Backbone interact. energy: -0.073
local terms energy: -87.000727
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -20.816
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -15.429
tors. eta vs tors. theta energy: -23.985
Dist. restrs. and SS energy: 1.087 (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: 2
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -318.766120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.766120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.873287 (E_RNA)
where:
Base-Base interactions energy: -227.927
where: short stacking energy: -88.219
Base-Backbone interact. energy: -0.456
local terms energy: -91.490380
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -16.552
flat angles C4'-P-C4' energy: -22.076
flat angles P-C4'-P energy: -15.867
tors. eta vs tors. theta energy: -24.006
Dist. restrs. and SS energy: 1.107 (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: 1
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -262.758710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.758710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.636673 (E_RNA)
where:
Base-Base interactions energy: -180.804
where: short stacking energy: -78.900
Base-Backbone interact. energy: -0.741
local terms energy: -88.091948
where:
bonds (distance) C4'-P energy: -21.949
bonds (distance) P-C4' energy: -20.085
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -16.577
Dist. restrs. and SS energy: 6.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -266.150972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.150972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.322313 (E_RNA)
where:
Base-Base interactions energy: -191.542
where: short stacking energy: -74.226
Base-Backbone interact. energy: 0.552
local terms energy: -77.332544
where:
bonds (distance) C4'-P energy: -16.880
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -24.151
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -11.266
Dist. restrs. and SS energy: 2.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -233.824078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.824078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.459460 (E_RNA)
where:
Base-Base interactions energy: -150.952
where: short stacking energy: -61.803
Base-Backbone interact. energy: -0.816
local terms energy: -84.691286
where:
bonds (distance) C4'-P energy: -22.864
bonds (distance) P-C4' energy: -19.050
flat angles C4'-P-C4' energy: -22.217
flat angles P-C4'-P energy: -15.730
tors. eta vs tors. theta energy: -4.831
Dist. restrs. and SS energy: 2.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -222.712781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.712781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.320963 (E_RNA)
where:
Base-Base interactions energy: -146.578
where: short stacking energy: -51.237
Base-Backbone interact. energy: -0.715
local terms energy: -79.027914
where:
bonds (distance) C4'-P energy: -22.416
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -5.434
Dist. restrs. and SS energy: 3.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -224.035848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.035848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.789595 (E_RNA)
where:
Base-Base interactions energy: -145.598
where: short stacking energy: -67.643
Base-Backbone interact. energy: 0.447
local terms energy: -79.639187
where:
bonds (distance) C4'-P energy: -15.781
bonds (distance) P-C4' energy: -19.791
flat angles C4'-P-C4' energy: -22.825
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -13.200
Dist. restrs. and SS energy: 0.754 (S_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: -359.550488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.550488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.896196 (E_RNA)
where:
Base-Base interactions energy: -255.893
where: short stacking energy: -90.839
Base-Backbone interact. energy: -1.088
local terms energy: -102.914813
where:
bonds (distance) C4'-P energy: -18.278
bonds (distance) P-C4' energy: -21.981
flat angles C4'-P-C4' energy: -27.167
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -22.114
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: 2, replica: 4
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -354.126538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.126538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.016323 (E_RNA)
where:
Base-Base interactions energy: -247.474
where: short stacking energy: -98.508
Base-Backbone interact. energy: 0.786
local terms energy: -109.328044
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -26.315
flat angles C4'-P-C4' energy: -23.006
flat angles P-C4'-P energy: -17.425
tors. eta vs tors. theta energy: -25.915
Dist. restrs. and SS energy: 1.890 (S_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: 154
Temperature: 1.000000
Total energy: -356.555917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.555917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.974257 (E_RNA)
where:
Base-Base interactions energy: -243.501
where: short stacking energy: -96.847
Base-Backbone interact. energy: 0.598
local terms energy: -114.070762
where:
bonds (distance) C4'-P energy: -22.040
bonds (distance) P-C4' energy: -24.523
flat angles C4'-P-C4' energy: -23.621
flat angles P-C4'-P energy: -16.937
tors. eta vs tors. theta energy: -26.949
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: 4, replica: 7
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -321.530146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.530146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.148603 (E_RNA)
where:
Base-Base interactions energy: -217.296
where: short stacking energy: -96.072
Base-Backbone interact. energy: -0.078
local terms energy: -105.774711
where:
bonds (distance) C4'-P energy: -22.604
bonds (distance) P-C4' energy: -20.794
flat angles C4'-P-C4' energy: -18.702
flat angles P-C4'-P energy: -18.349
tors. eta vs tors. theta energy: -25.326
Dist. restrs. and SS energy: 1.618 (S_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: 154
Temperature: 1.100000
Total energy: -312.776318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.776318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.489479 (E_RNA)
where:
Base-Base interactions energy: -224.312
where: short stacking energy: -82.276
Base-Backbone interact. energy: -0.599
local terms energy: -89.578630
where:
bonds (distance) C4'-P energy: -19.962
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -20.523
flat angles P-C4'-P energy: -13.949
tors. eta vs tors. theta energy: -19.331
Dist. restrs. and SS energy: 1.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -298.211448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.211448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.638990 (E_RNA)
where:
Base-Base interactions energy: -209.877
where: short stacking energy: -83.867
Base-Backbone interact. energy: 1.163
local terms energy: -90.925155
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -26.580
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -15.843
Dist. restrs. and SS energy: 1.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -286.600204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.600204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.648966 (E_RNA)
where:
Base-Base interactions energy: -198.087
where: short stacking energy: -66.829
Base-Backbone interact. energy: 0.431
local terms energy: -89.993076
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -24.637
flat angles C4'-P-C4' energy: -22.276
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -18.075
Dist. restrs. and SS energy: 1.049 (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: 8
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -244.889902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.889902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.740179 (E_RNA)
where:
Base-Base interactions energy: -171.062
where: short stacking energy: -63.890
Base-Backbone interact. energy: 0.969
local terms energy: -79.647604
where:
bonds (distance) C4'-P energy: -18.492
bonds (distance) P-C4' energy: -24.611
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -7.433
Dist. restrs. and SS energy: 4.850 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -221.480560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.480560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.767497 (E_RNA)
where:
Base-Base interactions energy: -140.996
where: short stacking energy: -54.734
Base-Backbone interact. energy: -0.562
local terms energy: -81.209708
where:
bonds (distance) C4'-P energy: -22.114
bonds (distance) P-C4' energy: -23.956
flat angles C4'-P-C4' energy: -22.180
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -3.676
Dist. restrs. and SS energy: 1.287 (S_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: 154
Temperature: 1.350000
Total energy: -213.063787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.063787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.565367 (E_RNA)
where:
Base-Base interactions energy: -132.805
where: short stacking energy: -58.062
Base-Backbone interact. energy: -0.917
local terms energy: -80.843256
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -20.564
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -15.576
tors. eta vs tors. theta energy: -9.423
Dist. restrs. and SS energy: 1.502 (S_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: -360.291664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.291664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.273871 (E_RNA)
where:
Base-Base interactions energy: -253.181
where: short stacking energy: -94.438
Base-Backbone interact. energy: 0.137
local terms energy: -108.229924
where:
bonds (distance) C4'-P energy: -20.872
bonds (distance) P-C4' energy: -25.421
flat angles C4'-P-C4' energy: -22.196
flat angles P-C4'-P energy: -14.908
tors. eta vs tors. theta energy: -24.833
Dist. restrs. and SS energy: 0.982 (S_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: 155
Temperature: 0.950000
Total energy: -359.168479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.168479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.882865 (E_RNA)
where:
Base-Base interactions energy: -248.655
where: short stacking energy: -102.156
Base-Backbone interact. energy: -0.591
local terms energy: -111.636803
where:
bonds (distance) C4'-P energy: -21.038
bonds (distance) P-C4' energy: -20.966
flat angles C4'-P-C4' energy: -25.694
flat angles P-C4'-P energy: -14.381
tors. eta vs tors. theta energy: -29.557
Dist. restrs. and SS energy: 1.714 (S_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: 155
Temperature: 1.000000
Total energy: -340.666316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.666316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.996270 (E_RNA)
where:
Base-Base interactions energy: -237.787
where: short stacking energy: -91.184
Base-Backbone interact. energy: -0.524
local terms energy: -102.685296
where:
bonds (distance) C4'-P energy: -18.198
bonds (distance) P-C4' energy: -20.317
flat angles C4'-P-C4' energy: -23.367
flat angles P-C4'-P energy: -16.320
tors. eta vs tors. theta energy: -24.484
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: 2
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -336.633821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.633821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.481383 (E_RNA)
where:
Base-Base interactions energy: -231.904
where: short stacking energy: -87.587
Base-Backbone interact. energy: -0.163
local terms energy: -105.414359
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -22.201
flat angles C4'-P-C4' energy: -21.786
flat angles P-C4'-P energy: -20.747
tors. eta vs tors. theta energy: -23.619
Dist. restrs. and SS energy: 0.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -313.317673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.317673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.885168 (E_RNA)
where:
Base-Base interactions energy: -206.298
where: short stacking energy: -90.144
Base-Backbone interact. energy: -0.352
local terms energy: -110.235273
where:
bonds (distance) C4'-P energy: -22.214
bonds (distance) P-C4' energy: -19.376
flat angles C4'-P-C4' energy: -25.876
flat angles P-C4'-P energy: -17.039
tors. eta vs tors. theta energy: -25.730
Dist. restrs. and SS energy: 3.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -306.704812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.704812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.263476 (E_RNA)
where:
Base-Base interactions energy: -208.383
where: short stacking energy: -88.191
Base-Backbone interact. energy: -0.150
local terms energy: -98.730348
where:
bonds (distance) C4'-P energy: -19.091
bonds (distance) P-C4' energy: -21.564
flat angles C4'-P-C4' energy: -22.528
flat angles P-C4'-P energy: -15.774
tors. eta vs tors. theta energy: -19.772
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: 6
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -250.336022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.336022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.219096 (E_RNA)
where:
Base-Base interactions energy: -160.233
where: short stacking energy: -66.046
Base-Backbone interact. energy: -0.223
local terms energy: -91.762968
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -27.446
flat angles P-C4'-P energy: -18.048
tors. eta vs tors. theta energy: -14.192
Dist. restrs. and SS energy: 1.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -223.412494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.412494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.453724 (E_RNA)
where:
Base-Base interactions energy: -149.979
where: short stacking energy: -61.651
Base-Backbone interact. energy: -0.762
local terms energy: -74.713239
where:
bonds (distance) C4'-P energy: -20.430
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -20.846
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -9.181
Dist. restrs. and SS energy: 2.041 (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: 155
Temperature: 1.300000
Total energy: -195.985783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.985783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.442235 (E_RNA)
where:
Base-Base interactions energy: -138.519
where: short stacking energy: -65.253
Base-Backbone interact. energy: 0.057
local terms energy: -61.980303
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -6.430
Dist. restrs. and SS energy: 4.456 (S_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: 155
Temperature: 1.350000
Total energy: -214.574995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.574995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.030696 (E_RNA)
where:
Base-Base interactions energy: -139.181
where: short stacking energy: -67.760
Base-Backbone interact. energy: 0.036
local terms energy: -77.885377
where:
bonds (distance) C4'-P energy: -17.069
bonds (distance) P-C4' energy: -19.679
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -12.959
Dist. restrs. and SS energy: 2.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -354.766348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.766348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.195519 (E_RNA)
where:
Base-Base interactions energy: -244.928
where: short stacking energy: -88.739
Base-Backbone interact. energy: -1.084
local terms energy: -110.183516
where:
bonds (distance) C4'-P energy: -21.565
bonds (distance) P-C4' energy: -23.327
flat angles C4'-P-C4' energy: -22.941
flat angles P-C4'-P energy: -18.537
tors. eta vs tors. theta energy: -23.814
Dist. restrs. and SS energy: 1.429 (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: 9
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -350.792899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.792899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.026136 (E_RNA)
where:
Base-Base interactions energy: -250.186
where: short stacking energy: -91.306
Base-Backbone interact. energy: 1.188
local terms energy: -103.028037
where:
bonds (distance) C4'-P energy: -24.772
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -22.675
flat angles P-C4'-P energy: -15.057
tors. eta vs tors. theta energy: -26.101
Dist. restrs. and SS energy: 1.233 (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: 2
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -344.624064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.624064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.656126 (E_RNA)
where:
Base-Base interactions energy: -252.009
where: short stacking energy: -97.115
Base-Backbone interact. energy: -0.233
local terms energy: -94.414215
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -19.486
flat angles C4'-P-C4' energy: -21.646
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -25.026
Dist. restrs. and SS energy: 2.032 (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: 4
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -335.589136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.589136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.447835 (E_RNA)
where:
Base-Base interactions energy: -236.795
where: short stacking energy: -85.626
Base-Backbone interact. energy: 3.187
local terms energy: -103.839528
where:
bonds (distance) C4'-P energy: -21.655
bonds (distance) P-C4' energy: -24.412
flat angles C4'-P-C4' energy: -20.488
flat angles P-C4'-P energy: -15.336
tors. eta vs tors. theta energy: -21.948
Dist. restrs. and SS energy: 1.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -294.356390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.356390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.967744 (E_RNA)
where:
Base-Base interactions energy: -200.302
where: short stacking energy: -81.125
Base-Backbone interact. energy: 1.179
local terms energy: -97.844394
where:
bonds (distance) C4'-P energy: -19.654
bonds (distance) P-C4' energy: -23.055
flat angles C4'-P-C4' energy: -22.578
flat angles P-C4'-P energy: -14.495
tors. eta vs tors. theta energy: -18.062
Dist. restrs. and SS energy: 2.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -297.842654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.842654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.913269 (E_RNA)
where:
Base-Base interactions energy: -201.628
where: short stacking energy: -93.589
Base-Backbone interact. energy: -0.049
local terms energy: -103.236841
where:
bonds (distance) C4'-P energy: -20.971
bonds (distance) P-C4' energy: -24.666
flat angles C4'-P-C4' energy: -24.020
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -22.695
Dist. restrs. and SS energy: 7.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -262.208771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.208771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.321329 (E_RNA)
where:
Base-Base interactions energy: -166.033
where: short stacking energy: -77.441
Base-Backbone interact. energy: 0.374
local terms energy: -98.662882
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -23.872
flat angles C4'-P-C4' energy: -25.340
flat angles P-C4'-P energy: -16.261
tors. eta vs tors. theta energy: -18.481
Dist. restrs. and SS energy: 2.113 (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: 8
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -241.781917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.781917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.075164 (E_RNA)
where:
Base-Base interactions energy: -158.205
where: short stacking energy: -46.999
Base-Backbone interact. energy: 0.089
local terms energy: -84.958769
where:
bonds (distance) C4'-P energy: -19.949
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -19.189
flat angles P-C4'-P energy: -13.653
tors. eta vs tors. theta energy: -8.684
Dist. restrs. and SS energy: 1.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -223.345216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.345216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.823515 (E_RNA)
where:
Base-Base interactions energy: -145.792
where: short stacking energy: -55.991
Base-Backbone interact. energy: -0.192
local terms energy: -80.839460
where:
bonds (distance) C4'-P energy: -17.879
bonds (distance) P-C4' energy: -21.587
flat angles C4'-P-C4' energy: -23.955
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -4.474
Dist. restrs. and SS energy: 3.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -218.141118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.141118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.241712 (E_RNA)
where:
Base-Base interactions energy: -142.731
where: short stacking energy: -60.267
Base-Backbone interact. energy: -0.350
local terms energy: -75.160713
where:
bonds (distance) C4'-P energy: -23.328
bonds (distance) P-C4' energy: -18.717
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -9.418
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: 1, replica: 10
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -365.469922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.469922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.654713 (E_RNA)
where:
Base-Base interactions energy: -252.686
where: short stacking energy: -93.849
Base-Backbone interact. energy: -0.776
local terms energy: -112.192692
where:
bonds (distance) C4'-P energy: -25.285
bonds (distance) P-C4' energy: -19.391
flat angles C4'-P-C4' energy: -22.107
flat angles P-C4'-P energy: -17.590
tors. eta vs tors. theta energy: -27.820
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: 2
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -363.013648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.013648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.351183 (E_RNA)
where:
Base-Base interactions energy: -267.895
where: short stacking energy: -92.086
Base-Backbone interact. energy: -0.489
local terms energy: -95.966728
where:
bonds (distance) C4'-P energy: -23.967
bonds (distance) P-C4' energy: -19.501
flat angles C4'-P-C4' energy: -19.004
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -25.942
Dist. restrs. and SS energy: 1.338 (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: 9
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -351.020939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.020939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.879127 (E_RNA)
where:
Base-Base interactions energy: -237.869
where: short stacking energy: -95.752
Base-Backbone interact. energy: 0.502
local terms energy: -114.512534
where:
bonds (distance) C4'-P energy: -19.619
bonds (distance) P-C4' energy: -26.498
flat angles C4'-P-C4' energy: -22.521
flat angles P-C4'-P energy: -18.015
tors. eta vs tors. theta energy: -27.860
Dist. restrs. and SS energy: 0.858 (S_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: 157
Temperature: 1.050000
Total energy: -338.175541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.175541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.129586 (E_RNA)
where:
Base-Base interactions energy: -231.266
where: short stacking energy: -86.132
Base-Backbone interact. energy: -0.374
local terms energy: -107.489473
where:
bonds (distance) C4'-P energy: -18.593
bonds (distance) P-C4' energy: -26.185
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -16.512
tors. eta vs tors. theta energy: -28.681
Dist. restrs. and SS energy: 0.954 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -304.588038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.588038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.261779 (E_RNA)
where:
Base-Base interactions energy: -216.655
where: short stacking energy: -75.464
Base-Backbone interact. energy: 0.252
local terms energy: -89.858090
where:
bonds (distance) C4'-P energy: -21.506
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -19.935
flat angles P-C4'-P energy: -16.178
tors. eta vs tors. theta energy: -13.856
Dist. restrs. and SS energy: 1.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -262.246284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.246284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.874583 (E_RNA)
where:
Base-Base interactions energy: -178.053
where: short stacking energy: -68.415
Base-Backbone interact. energy: -0.305
local terms energy: -91.516477
where:
bonds (distance) C4'-P energy: -21.424
bonds (distance) P-C4' energy: -21.248
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -16.106
tors. eta vs tors. theta energy: -18.863
Dist. restrs. and SS energy: 7.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -271.501540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.501540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.235679 (E_RNA)
where:
Base-Base interactions energy: -180.533
where: short stacking energy: -73.097
Base-Backbone interact. energy: -0.023
local terms energy: -92.679694
where:
bonds (distance) C4'-P energy: -25.178
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -21.080
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -15.768
Dist. restrs. and SS energy: 1.734 (S_DIST_RNA)
chem. 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: -262.497249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.497249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.622251 (E_RNA)
where:
Base-Base interactions energy: -169.743
where: short stacking energy: -74.186
Base-Backbone interact. energy: -0.195
local terms energy: -98.685100
where:
bonds (distance) C4'-P energy: -21.725
bonds (distance) P-C4' energy: -18.719
flat angles C4'-P-C4' energy: -23.312
flat angles P-C4'-P energy: -14.104
tors. eta vs tors. theta energy: -20.824
Dist. restrs. and SS energy: 6.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -217.867892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.867892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.752501 (E_RNA)
where:
Base-Base interactions energy: -128.046
where: short stacking energy: -61.243
Base-Backbone interact. energy: -0.948
local terms energy: -94.758807
where:
bonds (distance) C4'-P energy: -21.439
bonds (distance) P-C4' energy: -20.861
flat angles C4'-P-C4' energy: -25.880
flat angles P-C4'-P energy: -14.359
tors. eta vs tors. theta energy: -12.219
Dist. restrs. and SS energy: 5.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -216.031672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.031672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.427595 (E_RNA)
where:
Base-Base interactions energy: -134.707
where: short stacking energy: -47.431
Base-Backbone interact. energy: -0.801
local terms energy: -85.919354
where:
bonds (distance) C4'-P energy: -18.007
bonds (distance) P-C4' energy: -20.119
flat angles C4'-P-C4' energy: -22.759
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -11.122
Dist. restrs. and SS energy: 5.396 (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: 10
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -365.158873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.158873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.338900 (E_RNA)
where:
Base-Base interactions energy: -259.057
where: short stacking energy: -100.955
Base-Backbone interact. energy: -0.208
local terms energy: -106.073840
where:
bonds (distance) C4'-P energy: -17.313
bonds (distance) P-C4' energy: -25.599
flat angles C4'-P-C4' energy: -18.912
flat angles P-C4'-P energy: -16.575
tors. eta vs tors. theta energy: -27.675
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: 2
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -356.942876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.942876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.282761 (E_RNA)
where:
Base-Base interactions energy: -243.475
where: short stacking energy: -99.834
Base-Backbone interact. energy: -0.318
local terms energy: -114.489455
where:
bonds (distance) C4'-P energy: -21.179
bonds (distance) P-C4' energy: -23.958
flat angles C4'-P-C4' energy: -24.610
flat angles P-C4'-P energy: -17.012
tors. eta vs tors. theta energy: -27.730
Dist. restrs. and SS energy: 1.340 (S_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: 158
Temperature: 1.000000
Total energy: -351.743011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.743011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.306268 (E_RNA)
where:
Base-Base interactions energy: -249.818
where: short stacking energy: -101.791
Base-Backbone interact. energy: 0.764
local terms energy: -104.252387
where:
bonds (distance) C4'-P energy: -17.619
bonds (distance) P-C4' energy: -22.519
flat angles C4'-P-C4' energy: -25.122
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -30.312
Dist. restrs. and SS energy: 1.563 (S_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: 158
Temperature: 1.050000
Total energy: -350.041430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.041430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.464684 (E_RNA)
where:
Base-Base interactions energy: -239.909
where: short stacking energy: -95.975
Base-Backbone interact. energy: -0.799
local terms energy: -110.757243
where:
bonds (distance) C4'-P energy: -19.821
bonds (distance) P-C4' energy: -22.189
flat angles C4'-P-C4' energy: -23.644
flat angles P-C4'-P energy: -15.125
tors. eta vs tors. theta energy: -29.978
Dist. restrs. and SS energy: 1.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -315.839225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.839225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.770393 (E_RNA)
where:
Base-Base interactions energy: -218.006
where: short stacking energy: -92.673
Base-Backbone interact. energy: -0.533
local terms energy: -99.231027
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -27.169
flat angles C4'-P-C4' energy: -22.995
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -20.945
Dist. restrs. and SS energy: 1.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -308.202482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.202482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.521409 (E_RNA)
where:
Base-Base interactions energy: -220.010
where: short stacking energy: -82.668
Base-Backbone interact. energy: -1.102
local terms energy: -88.409381
where:
bonds (distance) C4'-P energy: -20.893
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -20.375
flat angles P-C4'-P energy: -15.089
tors. eta vs tors. theta energy: -15.369
Dist. restrs. and SS energy: 1.319 (S_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: -262.367209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.367209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.335057 (E_RNA)
where:
Base-Base interactions energy: -171.612
where: short stacking energy: -68.101
Base-Backbone interact. energy: 0.171
local terms energy: -91.894237
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -22.084
flat angles C4'-P-C4' energy: -23.579
flat angles P-C4'-P energy: -16.776
tors. eta vs tors. theta energy: -13.239
Dist. restrs. and SS energy: 0.968 (S_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: 158
Temperature: 1.250000
Total energy: -275.640866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.640866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.029874 (E_RNA)
where:
Base-Base interactions energy: -189.925
where: short stacking energy: -64.883
Base-Backbone interact. energy: -0.896
local terms energy: -85.209137
where:
bonds (distance) C4'-P energy: -17.849
bonds (distance) P-C4' energy: -18.219
flat angles C4'-P-C4' energy: -20.817
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -19.278
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: 9, replica: 5
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -223.620777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.620777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.870473 (E_RNA)
where:
Base-Base interactions energy: -154.413
where: short stacking energy: -53.809
Base-Backbone interact. energy: -0.300
local terms energy: -70.157235
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -22.263
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -7.238
Dist. restrs. and SS energy: 1.250 (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: 3
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -206.073056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.073056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.465765 (E_RNA)
where:
Base-Base interactions energy: -137.174
where: short stacking energy: -59.330
Base-Backbone interact. energy: -0.620
local terms energy: -73.672107
where:
bonds (distance) C4'-P energy: -19.705
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -10.661
flat angles P-C4'-P energy: -16.210
tors. eta vs tors. theta energy: -11.495
Dist. restrs. and SS energy: 5.393 (S_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: -357.707291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.707291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.856012 (E_RNA)
where:
Base-Base interactions energy: -239.726
where: short stacking energy: -92.853
Base-Backbone interact. energy: -1.530
local terms energy: -116.600156
where:
bonds (distance) C4'-P energy: -27.463
bonds (distance) P-C4' energy: -21.335
flat angles C4'-P-C4' energy: -19.835
flat angles P-C4'-P energy: -21.204
tors. eta vs tors. theta energy: -26.764
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: 2, replica: 4
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -365.671354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.671354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.020201 (E_RNA)
where:
Base-Base interactions energy: -255.552
where: short stacking energy: -95.675
Base-Backbone interact. energy: -1.039
local terms energy: -110.428818
where:
bonds (distance) C4'-P energy: -23.374
bonds (distance) P-C4' energy: -20.803
flat angles C4'-P-C4' energy: -22.505
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -29.470
Dist. restrs. and SS energy: 1.349 (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: 2
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -351.171115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.171115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.675834 (E_RNA)
where:
Base-Base interactions energy: -236.461
where: short stacking energy: -98.496
Base-Backbone interact. energy: -0.754
local terms energy: -115.460758
where:
bonds (distance) C4'-P energy: -22.623
bonds (distance) P-C4' energy: -21.480
flat angles C4'-P-C4' energy: -22.254
flat angles P-C4'-P energy: -18.318
tors. eta vs tors. theta energy: -30.785
Dist. restrs. and SS energy: 1.505 (S_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: 159
Temperature: 1.050000
Total energy: -334.588601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.588601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.672828 (E_RNA)
where:
Base-Base interactions energy: -238.449
where: short stacking energy: -94.910
Base-Backbone interact. energy: -1.549
local terms energy: -96.675020
where:
bonds (distance) C4'-P energy: -14.415
bonds (distance) P-C4' energy: -23.314
flat angles C4'-P-C4' energy: -23.046
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -25.512
Dist. restrs. and SS energy: 2.084 (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: 6
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -319.925926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.925926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.009257 (E_RNA)
where:
Base-Base interactions energy: -209.818
where: short stacking energy: -94.615
Base-Backbone interact. energy: -0.348
local terms energy: -112.843185
where:
bonds (distance) C4'-P energy: -21.136
bonds (distance) P-C4' energy: -20.471
flat angles C4'-P-C4' energy: -28.421
flat angles P-C4'-P energy: -16.584
tors. eta vs tors. theta energy: -26.230
Dist. restrs. and SS energy: 3.083 (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: 8
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -259.664536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.664536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.166605 (E_RNA)
where:
Base-Base interactions energy: -182.092
where: short stacking energy: -72.047
Base-Backbone interact. energy: -0.022
local terms energy: -78.051887
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -20.396
flat angles P-C4'-P energy: -14.812
tors. eta vs tors. theta energy: -15.694
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: 159
Temperature: 1.200000
Total energy: -258.758077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.758077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.177128 (E_RNA)
where:
Base-Base interactions energy: -179.119
where: short stacking energy: -84.146
Base-Backbone interact. energy: 0.090
local terms energy: -83.147547
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -10.486
flat angles C4'-P-C4' energy: -21.212
flat angles P-C4'-P energy: -18.371
tors. eta vs tors. theta energy: -17.078
Dist. restrs. and SS energy: 3.419 (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: 7
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -272.957678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.957678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.166779 (E_RNA)
where:
Base-Base interactions energy: -175.690
where: short stacking energy: -68.811
Base-Backbone interact. energy: -0.384
local terms energy: -98.092752
where:
bonds (distance) C4'-P energy: -20.831
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -23.108
flat angles P-C4'-P energy: -16.944
tors. eta vs tors. theta energy: -20.688
Dist. restrs. and SS energy: 1.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -219.470450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.470450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.460076 (E_RNA)
where:
Base-Base interactions energy: -142.116
where: short stacking energy: -51.591
Base-Backbone interact. energy: -1.471
local terms energy: -81.872623
where:
bonds (distance) C4'-P energy: -16.953
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -26.970
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -12.173
Dist. restrs. and SS energy: 5.990 (S_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: 159
Temperature: 1.350000
Total energy: -212.953435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.953435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.582145 (E_RNA)
where:
Base-Base interactions energy: -158.225
where: short stacking energy: -57.927
Base-Backbone interact. energy: -1.323
local terms energy: -58.034136
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -18.310
flat angles P-C4'-P energy: -4.857
tors. eta vs tors. theta energy: -5.455
Dist. restrs. and SS energy: 4.629 (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: 4
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -361.918985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.918985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.156751 (E_RNA)
where:
Base-Base interactions energy: -257.259
where: short stacking energy: -104.090
Base-Backbone interact. energy: -0.408
local terms energy: -105.489309
where:
bonds (distance) C4'-P energy: -17.694
bonds (distance) P-C4' energy: -19.830
flat angles C4'-P-C4' energy: -23.330
flat angles P-C4'-P energy: -17.074
tors. eta vs tors. theta energy: -27.561
Dist. restrs. and SS energy: 1.238 (S_DIST_RNA)
chem. 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: -363.141410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.141410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.368543 (E_RNA)
where:
Base-Base interactions energy: -249.805
where: short stacking energy: -96.120
Base-Backbone interact. energy: -0.551
local terms energy: -114.012911
where:
bonds (distance) C4'-P energy: -22.028
bonds (distance) P-C4' energy: -21.171
flat angles C4'-P-C4' energy: -21.573
flat angles P-C4'-P energy: -19.780
tors. eta vs tors. theta energy: -29.461
Dist. restrs. and SS energy: 1.227 (S_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: 160
Temperature: 1.000000
Total energy: -352.944945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.944945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.455981 (E_RNA)
where:
Base-Base interactions energy: -258.966
where: short stacking energy: -97.582
Base-Backbone interact. energy: -0.478
local terms energy: -95.012305
where:
bonds (distance) C4'-P energy: -20.956
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -20.027
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -25.697
Dist. restrs. and SS energy: 1.511 (S_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: 160
Temperature: 1.050000
Total energy: -344.009827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.009827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.061674 (E_RNA)
where:
Base-Base interactions energy: -243.073
where: short stacking energy: -95.294
Base-Backbone interact. energy: 0.488
local terms energy: -102.476744
where:
bonds (distance) C4'-P energy: -17.852
bonds (distance) P-C4' energy: -19.950
flat angles C4'-P-C4' energy: -25.503
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -25.983
Dist. restrs. and SS energy: 1.052 (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: 6
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -318.532897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.532897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.676478 (E_RNA)
where:
Base-Base interactions energy: -212.366
where: short stacking energy: -92.799
Base-Backbone interact. energy: -0.820
local terms energy: -105.491074
where:
bonds (distance) C4'-P energy: -21.173
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -23.384
flat angles P-C4'-P energy: -14.898
tors. eta vs tors. theta energy: -28.117
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: 6, replica: 8
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -277.688353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.688353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.740576 (E_RNA)
where:
Base-Base interactions energy: -187.699
where: short stacking energy: -73.679
Base-Backbone interact. energy: 1.445
local terms energy: -91.486659
where:
bonds (distance) C4'-P energy: -18.607
bonds (distance) P-C4' energy: -21.348
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -15.275
tors. eta vs tors. theta energy: -18.791
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: 7
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -284.849634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.849634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.654867 (E_RNA)
where:
Base-Base interactions energy: -195.887
where: short stacking energy: -82.896
Base-Backbone interact. energy: -0.223
local terms energy: -92.545386
where:
bonds (distance) C4'-P energy: -21.485
bonds (distance) P-C4' energy: -19.374
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -16.587
tors. eta vs tors. theta energy: -20.293
Dist. restrs. and SS energy: 3.805 (S_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: 160
Temperature: 1.250000
Total energy: -276.615428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.615428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.765437 (E_RNA)
where:
Base-Base interactions energy: -191.301
where: short stacking energy: -74.071
Base-Backbone interact. energy: -0.389
local terms energy: -87.076327
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -21.014
flat angles P-C4'-P energy: -15.953
tors. eta vs tors. theta energy: -17.423
Dist. restrs. and SS energy: 2.150 (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: 3
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -228.023156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.023156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.464153 (E_RNA)
where:
Base-Base interactions energy: -148.617
where: short stacking energy: -48.734
Base-Backbone interact. energy: -1.299
local terms energy: -79.548471
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -18.017
tors. eta vs tors. theta energy: -12.242
Dist. restrs. and SS energy: 1.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -205.562101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.562101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.820139 (E_RNA)
where:
Base-Base interactions energy: -131.782
where: short stacking energy: -53.618
Base-Backbone interact. energy: -1.041
local terms energy: -80.997478
where:
bonds (distance) C4'-P energy: -22.798
bonds (distance) P-C4' energy: -23.968
flat angles C4'-P-C4' energy: -20.772
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -6.379
Dist. restrs. and SS energy: 8.258 (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: 4
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -352.992710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.992710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.378175 (E_RNA)
where:
Base-Base interactions energy: -246.679
where: short stacking energy: -84.417
Base-Backbone interact. energy: -0.182
local terms energy: -106.517055
where:
bonds (distance) C4'-P energy: -20.174
bonds (distance) P-C4' energy: -23.216
flat angles C4'-P-C4' energy: -22.012
flat angles P-C4'-P energy: -15.604
tors. eta vs tors. theta energy: -25.511
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: 2, replica: 9
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -367.270480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.270480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.994825 (E_RNA)
where:
Base-Base interactions energy: -257.722
where: short stacking energy: -102.244
Base-Backbone interact. energy: -0.607
local terms energy: -109.665521
where:
bonds (distance) C4'-P energy: -22.594
bonds (distance) P-C4' energy: -20.186
flat angles C4'-P-C4' energy: -21.305
flat angles P-C4'-P energy: -20.708
tors. eta vs tors. theta energy: -24.872
Dist. restrs. and SS energy: 0.724 (S_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: -355.142967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.142967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.359752 (E_RNA)
where:
Base-Base interactions energy: -247.431
where: short stacking energy: -87.512
Base-Backbone interact. energy: 0.213
local terms energy: -109.142250
where:
bonds (distance) C4'-P energy: -23.314
bonds (distance) P-C4' energy: -24.375
flat angles C4'-P-C4' energy: -22.714
flat angles P-C4'-P energy: -15.916
tors. eta vs tors. theta energy: -22.823
Dist. restrs. and SS energy: 1.217 (S_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: 161
Temperature: 1.050000
Total energy: -326.686732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.686732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.902991 (E_RNA)
where:
Base-Base interactions energy: -219.831
where: short stacking energy: -81.390
Base-Backbone interact. energy: -0.618
local terms energy: -106.454379
where:
bonds (distance) C4'-P energy: -22.252
bonds (distance) P-C4' energy: -20.693
flat angles C4'-P-C4' energy: -22.699
flat angles P-C4'-P energy: -19.548
tors. eta vs tors. theta energy: -21.263
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: 5, replica: 6
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -302.806333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.806333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.856839 (E_RNA)
where:
Base-Base interactions energy: -197.868
where: short stacking energy: -77.288
Base-Backbone interact. energy: -0.102
local terms energy: -107.886854
where:
bonds (distance) C4'-P energy: -21.565
bonds (distance) P-C4' energy: -21.257
flat angles C4'-P-C4' energy: -25.829
flat angles P-C4'-P energy: -15.670
tors. eta vs tors. theta energy: -23.567
Dist. restrs. and SS energy: 3.051 (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: 7
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -295.397238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.397238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.210518 (E_RNA)
where:
Base-Base interactions energy: -200.868
where: short stacking energy: -83.095
Base-Backbone interact. energy: -0.116
local terms energy: -100.225963
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -20.271
flat angles C4'-P-C4' energy: -21.902
flat angles P-C4'-P energy: -17.974
tors. eta vs tors. theta energy: -21.844
Dist. restrs. and SS energy: 5.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -288.400903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.400903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.505542 (E_RNA)
where:
Base-Base interactions energy: -194.966
where: short stacking energy: -75.162
Base-Backbone interact. energy: -0.798
local terms energy: -92.741362
where:
bonds (distance) C4'-P energy: -21.513
bonds (distance) P-C4' energy: -24.827
flat angles C4'-P-C4' energy: -20.315
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -14.321
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: 8, replica: 1
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -257.844972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.844972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.201966 (E_RNA)
where:
Base-Base interactions energy: -173.859
where: short stacking energy: -62.479
Base-Backbone interact. energy: -0.377
local terms energy: -84.965177
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -21.437
flat angles C4'-P-C4' energy: -19.823
flat angles P-C4'-P energy: -16.810
tors. eta vs tors. theta energy: -12.705
Dist. restrs. and SS energy: 1.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -235.968091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.968091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.850599 (E_RNA)
where:
Base-Base interactions energy: -149.042
where: short stacking energy: -67.477
Base-Backbone interact. energy: -1.207
local terms energy: -93.601949
where:
bonds (distance) C4'-P energy: -20.314
bonds (distance) P-C4' energy: -20.804
flat angles C4'-P-C4' energy: -23.183
flat angles P-C4'-P energy: -15.376
tors. eta vs tors. theta energy: -13.925
Dist. restrs. and SS energy: 7.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -239.686984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.686984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.399304 (E_RNA)
where:
Base-Base interactions energy: -150.920
where: short stacking energy: -64.046
Base-Backbone interact. energy: 0.732
local terms energy: -90.211761
where:
bonds (distance) C4'-P energy: -20.114
bonds (distance) P-C4' energy: -23.772
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -17.146
tors. eta vs tors. theta energy: -11.795
Dist. restrs. and SS energy: 0.712 (S_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: 162
Temperature: 0.900000
Total energy: -371.110537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.110537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.758144 (E_RNA)
where:
Base-Base interactions energy: -258.527
where: short stacking energy: -103.881
Base-Backbone interact. energy: 0.097
local terms energy: -114.328431
where:
bonds (distance) C4'-P energy: -24.850
bonds (distance) P-C4' energy: -22.743
flat angles C4'-P-C4' energy: -20.983
flat angles P-C4'-P energy: -17.550
tors. eta vs tors. theta energy: -28.202
Dist. restrs. and SS energy: 1.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -358.596249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.596249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.781304 (E_RNA)
where:
Base-Base interactions energy: -250.605
where: short stacking energy: -89.692
Base-Backbone interact. energy: -1.390
local terms energy: -106.786321
where:
bonds (distance) C4'-P energy: -20.577
bonds (distance) P-C4' energy: -23.595
flat angles C4'-P-C4' energy: -20.934
flat angles P-C4'-P energy: -15.131
tors. eta vs tors. theta energy: -26.550
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: 3, replica: 2
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -353.433160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.433160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.714059 (E_RNA)
where:
Base-Base interactions energy: -247.524
where: short stacking energy: -93.712
Base-Backbone interact. energy: -2.596
local terms energy: -104.593879
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -23.640
flat angles C4'-P-C4' energy: -23.332
flat angles P-C4'-P energy: -14.106
tors. eta vs tors. theta energy: -27.339
Dist. restrs. and SS energy: 1.281 (S_DIST_RNA)
chem. 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: -342.370636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.370636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.498159 (E_RNA)
where:
Base-Base interactions energy: -240.688
where: short stacking energy: -88.466
Base-Backbone interact. energy: -0.434
local terms energy: -102.375852
where:
bonds (distance) C4'-P energy: -23.206
bonds (distance) P-C4' energy: -20.457
flat angles C4'-P-C4' energy: -20.923
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -26.163
Dist. restrs. and SS energy: 1.128 (S_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: 162
Temperature: 1.100000
Total energy: -302.331131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.331131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.733520 (E_RNA)
where:
Base-Base interactions energy: -206.199
where: short stacking energy: -88.057
Base-Backbone interact. energy: -0.115
local terms energy: -98.420310
where:
bonds (distance) C4'-P energy: -19.150
bonds (distance) P-C4' energy: -17.486
flat angles C4'-P-C4' energy: -19.704
flat angles P-C4'-P energy: -18.836
tors. eta vs tors. theta energy: -23.243
Dist. restrs. and SS energy: 2.402 (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: 6
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -317.214713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.214713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.923515 (E_RNA)
where:
Base-Base interactions energy: -217.459
where: short stacking energy: -86.390
Base-Backbone interact. energy: 1.266
local terms energy: -102.730690
where:
bonds (distance) C4'-P energy: -22.612
bonds (distance) P-C4' energy: -23.488
flat angles C4'-P-C4' energy: -22.577
flat angles P-C4'-P energy: -13.297
tors. eta vs tors. theta energy: -20.758
Dist. restrs. and SS energy: 1.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -273.734536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.734536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.021474 (E_RNA)
where:
Base-Base interactions energy: -177.525
where: short stacking energy: -73.657
Base-Backbone interact. energy: -0.424
local terms energy: -96.072461
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -23.826
flat angles C4'-P-C4' energy: -24.463
flat angles P-C4'-P energy: -15.529
tors. eta vs tors. theta energy: -16.673
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: 1
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -253.460474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.460474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.033875 (E_RNA)
where:
Base-Base interactions energy: -163.854
where: short stacking energy: -63.828
Base-Backbone interact. energy: -1.607
local terms energy: -88.572616
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -24.646
flat angles C4'-P-C4' energy: -21.688
flat angles P-C4'-P energy: -14.925
tors. eta vs tors. theta energy: -14.004
Dist. restrs. and SS energy: 0.573 (S_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: 162
Temperature: 1.300000
Total energy: -227.639279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.639279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.159017 (E_RNA)
where:
Base-Base interactions energy: -150.389
where: short stacking energy: -70.152
Base-Backbone interact. energy: -1.821
local terms energy: -76.949258
where:
bonds (distance) C4'-P energy: -21.324
bonds (distance) P-C4' energy: -10.249
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -15.011
tors. eta vs tors. theta energy: -13.336
Dist. restrs. and SS energy: 1.520 (S_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: 162
Temperature: 1.350000
Total energy: -222.584237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.584237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.120104 (E_RNA)
where:
Base-Base interactions energy: -151.402
where: short stacking energy: -56.253
Base-Backbone interact. energy: -0.669
local terms energy: -73.049110
where:
bonds (distance) C4'-P energy: -19.817
bonds (distance) P-C4' energy: -24.635
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -6.125
tors. eta vs tors. theta energy: -4.786
Dist. restrs. and SS energy: 2.536 (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: 9
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -372.477769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.477769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.625059 (E_RNA)
where:
Base-Base interactions energy: -268.317
where: short stacking energy: -98.039
Base-Backbone interact. energy: 0.042
local terms energy: -105.349814
where:
bonds (distance) C4'-P energy: -18.112
bonds (distance) P-C4' energy: -18.413
flat angles C4'-P-C4' energy: -23.525
flat angles P-C4'-P energy: -16.016
tors. eta vs tors. theta energy: -29.284
Dist. restrs. and SS energy: 1.147 (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: 2
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -352.845718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.845718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.326729 (E_RNA)
where:
Base-Base interactions energy: -251.554
where: short stacking energy: -88.893
Base-Backbone interact. energy: -1.259
local terms energy: -101.513246
where:
bonds (distance) C4'-P energy: -20.553
bonds (distance) P-C4' energy: -23.241
flat angles C4'-P-C4' energy: -22.662
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -22.661
Dist. restrs. and SS energy: 1.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -363.950356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.950356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.034763 (E_RNA)
where:
Base-Base interactions energy: -256.796
where: short stacking energy: -96.965
Base-Backbone interact. energy: -0.835
local terms energy: -108.403785
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -21.983
flat angles C4'-P-C4' energy: -25.409
flat angles P-C4'-P energy: -18.758
tors. eta vs tors. theta energy: -27.626
Dist. restrs. and SS energy: 2.084 (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: 10
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -342.131967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.131967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.428556 (E_RNA)
where:
Base-Base interactions energy: -231.532
where: short stacking energy: -86.348
Base-Backbone interact. energy: -2.445
local terms energy: -109.452249
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -23.747
flat angles C4'-P-C4' energy: -22.962
flat angles P-C4'-P energy: -20.324
tors. eta vs tors. theta energy: -27.108
Dist. restrs. and SS energy: 1.297 (S_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: 163
Temperature: 1.100000
Total energy: -285.250242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.250242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.591846 (E_RNA)
where:
Base-Base interactions energy: -188.013
where: short stacking energy: -71.345
Base-Backbone interact. energy: -0.253
local terms energy: -98.325693
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -24.512
flat angles C4'-P-C4' energy: -22.246
flat angles P-C4'-P energy: -19.420
tors. eta vs tors. theta energy: -14.631
Dist. restrs. and SS energy: 1.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -312.795841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.795841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.013403 (E_RNA)
where:
Base-Base interactions energy: -211.901
where: short stacking energy: -92.179
Base-Backbone interact. energy: -0.919
local terms energy: -101.193665
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -22.189
flat angles C4'-P-C4' energy: -23.696
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -23.762
Dist. restrs. and SS energy: 1.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -267.471537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.471537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.757639 (E_RNA)
where:
Base-Base interactions energy: -182.220
where: short stacking energy: -73.649
Base-Backbone interact. energy: -1.555
local terms energy: -86.982689
where:
bonds (distance) C4'-P energy: -18.526
bonds (distance) P-C4' energy: -21.012
flat angles C4'-P-C4' energy: -19.815
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -15.089
Dist. restrs. and SS energy: 3.286 (S_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: 163
Temperature: 1.250000
Total energy: -254.770410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.770410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.178070 (E_RNA)
where:
Base-Base interactions energy: -177.343
where: short stacking energy: -64.897
Base-Backbone interact. energy: -1.187
local terms energy: -79.648323
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -18.493
flat angles C4'-P-C4' energy: -20.989
flat angles P-C4'-P energy: -15.102
tors. eta vs tors. theta energy: -14.716
Dist. restrs. and SS energy: 3.408 (S_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: 163
Temperature: 1.300000
Total energy: -208.183939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.183939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.044346 (E_RNA)
where:
Base-Base interactions energy: -124.543
where: short stacking energy: -56.467
Base-Backbone interact. energy: -0.250
local terms energy: -84.251254
where:
bonds (distance) C4'-P energy: -23.638
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -12.677
Dist. restrs. and SS energy: 0.860 (S_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: 163
Temperature: 1.350000
Total energy: -231.870922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.870922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.311132 (E_RNA)
where:
Base-Base interactions energy: -148.277
where: short stacking energy: -57.626
Base-Backbone interact. energy: -0.841
local terms energy: -90.192213
where:
bonds (distance) C4'-P energy: -20.641
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -23.455
flat angles P-C4'-P energy: -15.604
tors. eta vs tors. theta energy: -12.371
Dist. restrs. and SS energy: 7.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -358.501656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.501656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.117458 (E_RNA)
where:
Base-Base interactions energy: -253.436
where: short stacking energy: -99.678
Base-Backbone interact. energy: -0.812
local terms energy: -105.869283
where:
bonds (distance) C4'-P energy: -22.498
bonds (distance) P-C4' energy: -23.205
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -19.587
tors. eta vs tors. theta energy: -22.801
Dist. restrs. and SS energy: 1.616 (S_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: 164
Temperature: 0.950000
Total energy: -361.018490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.018490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.770195 (E_RNA)
where:
Base-Base interactions energy: -245.632
where: short stacking energy: -98.313
Base-Backbone interact. energy: -1.072
local terms energy: -115.066857
where:
bonds (distance) C4'-P energy: -22.880
bonds (distance) P-C4' energy: -24.303
flat angles C4'-P-C4' energy: -27.254
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -30.227
Dist. restrs. and SS energy: 0.752 (S_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: 164
Temperature: 1.000000
Total energy: -363.826663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.826663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.138990 (E_RNA)
where:
Base-Base interactions energy: -248.765
where: short stacking energy: -105.627
Base-Backbone interact. energy: -1.239
local terms energy: -115.135302
where:
bonds (distance) C4'-P energy: -21.625
bonds (distance) P-C4' energy: -26.783
flat angles C4'-P-C4' energy: -23.788
flat angles P-C4'-P energy: -15.108
tors. eta vs tors. theta energy: -27.831
Dist. restrs. and SS energy: 1.312 (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: 10
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -349.006190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.006190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.481632 (E_RNA)
where:
Base-Base interactions energy: -249.311
where: short stacking energy: -96.537
Base-Backbone interact. energy: 0.389
local terms energy: -100.559464
where:
bonds (distance) C4'-P energy: -17.846
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -20.566
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -27.430
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: 5, replica: 6
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -306.572582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.572582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.323885 (E_RNA)
where:
Base-Base interactions energy: -211.222
where: short stacking energy: -87.550
Base-Backbone interact. energy: 1.036
local terms energy: -99.138195
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -25.402
flat angles C4'-P-C4' energy: -19.967
flat angles P-C4'-P energy: -16.011
tors. eta vs tors. theta energy: -21.903
Dist. restrs. and SS energy: 2.751 (S_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: -293.623634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.623634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.372949 (E_RNA)
where:
Base-Base interactions energy: -199.227
where: short stacking energy: -82.656
Base-Backbone interact. energy: -1.170
local terms energy: -93.975884
where:
bonds (distance) C4'-P energy: -19.077
bonds (distance) P-C4' energy: -19.228
flat angles C4'-P-C4' energy: -22.333
flat angles P-C4'-P energy: -15.429
tors. eta vs tors. theta energy: -17.908
Dist. restrs. and SS energy: 0.749 (S_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: 164
Temperature: 1.200000
Total energy: -268.619705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.619705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.890065 (E_RNA)
where:
Base-Base interactions energy: -176.564
where: short stacking energy: -70.642
Base-Backbone interact. energy: -0.477
local terms energy: -92.848516
where:
bonds (distance) C4'-P energy: -22.587
bonds (distance) P-C4' energy: -20.427
flat angles C4'-P-C4' energy: -18.591
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -17.214
Dist. restrs. and SS energy: 1.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -246.656211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.656211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.017420 (E_RNA)
where:
Base-Base interactions energy: -158.271
where: short stacking energy: -55.405
Base-Backbone interact. energy: -0.363
local terms energy: -88.383173
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -27.270
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -15.859
tors. eta vs tors. theta energy: -11.393
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: 9, replica: 5
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -236.405665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.405665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.419547 (E_RNA)
where:
Base-Base interactions energy: -162.935
where: short stacking energy: -64.354
Base-Backbone interact. energy: -0.644
local terms energy: -72.839837
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -17.128
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: -7.956
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: 3
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -239.189288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.189288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.678755 (E_RNA)
where:
Base-Base interactions energy: -154.901
where: short stacking energy: -64.699
Base-Backbone interact. energy: -1.598
local terms energy: -88.180120
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -21.304
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -18.955
tors. eta vs tors. theta energy: -17.391
Dist. restrs. and SS energy: 5.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -362.838995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.838995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.602897 (E_RNA)
where:
Base-Base interactions energy: -256.497
where: short stacking energy: -102.642
Base-Backbone interact. energy: -0.735
local terms energy: -106.370707
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -21.470
flat angles P-C4'-P energy: -18.092
tors. eta vs tors. theta energy: -29.269
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: 2, replica: 9
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -359.693685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.693685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.321080 (E_RNA)
where:
Base-Base interactions energy: -250.324
where: short stacking energy: -95.427
Base-Backbone interact. energy: -0.814
local terms energy: -110.182335
where:
bonds (distance) C4'-P energy: -21.474
bonds (distance) P-C4' energy: -22.364
flat angles C4'-P-C4' energy: -26.665
flat angles P-C4'-P energy: -17.893
tors. eta vs tors. theta energy: -21.786
Dist. restrs. and SS energy: 1.627 (S_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: 165
Temperature: 1.000000
Total energy: -352.093797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.093797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.245389 (E_RNA)
where:
Base-Base interactions energy: -246.277
where: short stacking energy: -100.225
Base-Backbone interact. energy: -1.124
local terms energy: -105.844655
where:
bonds (distance) C4'-P energy: -19.664
bonds (distance) P-C4' energy: -22.207
flat angles C4'-P-C4' energy: -22.833
flat angles P-C4'-P energy: -13.166
tors. eta vs tors. theta energy: -27.975
Dist. restrs. and SS energy: 1.152 (S_DIST_RNA)
chem. 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: -348.746401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.746401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.049831 (E_RNA)
where:
Base-Base interactions energy: -248.712
where: short stacking energy: -88.305
Base-Backbone interact. energy: -0.478
local terms energy: -100.860348
where:
bonds (distance) C4'-P energy: -19.100
bonds (distance) P-C4' energy: -20.951
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -15.913
tors. eta vs tors. theta energy: -27.727
Dist. restrs. and SS energy: 1.303 (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: 6
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -314.255227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.255227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.052238 (E_RNA)
where:
Base-Base interactions energy: -215.592
where: short stacking energy: -89.156
Base-Backbone interact. energy: -1.096
local terms energy: -98.364543
where:
bonds (distance) C4'-P energy: -16.829
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -23.402
flat angles P-C4'-P energy: -15.688
tors. eta vs tors. theta energy: -27.246
Dist. restrs. and SS energy: 0.797 (S_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: 165
Temperature: 1.150000
Total energy: -290.302270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.302270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.364466 (E_RNA)
where:
Base-Base interactions energy: -193.889
where: short stacking energy: -72.351
Base-Backbone interact. energy: -0.426
local terms energy: -96.049703
where:
bonds (distance) C4'-P energy: -23.352
bonds (distance) P-C4' energy: -24.028
flat angles C4'-P-C4' energy: -22.637
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -16.789
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: 7, replica: 1
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -242.280926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.280926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.278934 (E_RNA)
where:
Base-Base interactions energy: -158.388
where: short stacking energy: -67.105
Base-Backbone interact. energy: -0.483
local terms energy: -87.408482
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -20.958
flat angles C4'-P-C4' energy: -20.304
flat angles P-C4'-P energy: -14.550
tors. eta vs tors. theta energy: -14.538
Dist. restrs. and SS energy: 3.998 (S_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: 165
Temperature: 1.250000
Total energy: -255.860420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.860420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.751907 (E_RNA)
where:
Base-Base interactions energy: -173.982
where: short stacking energy: -74.340
Base-Backbone interact. energy: 0.251
local terms energy: -83.021476
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -23.024
flat angles C4'-P-C4' energy: -18.675
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -17.722
Dist. restrs. and SS energy: 0.891 (S_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: -249.558688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.558688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.515614 (E_RNA)
where:
Base-Base interactions energy: -169.682
where: short stacking energy: -70.312
Base-Backbone interact. energy: -0.284
local terms energy: -80.550043
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -22.997
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -8.935
tors. eta vs tors. theta energy: -18.224
Dist. restrs. and SS energy: 0.957 (S_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: 165
Temperature: 1.350000
Total energy: -238.287456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.287456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.423864 (E_RNA)
where:
Base-Base interactions energy: -165.478
where: short stacking energy: -68.149
Base-Backbone interact. energy: -0.519
local terms energy: -80.426296
where:
bonds (distance) C4'-P energy: -22.335
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -22.181
flat angles P-C4'-P energy: -1.416
tors. eta vs tors. theta energy: -17.131
Dist. restrs. and SS energy: 8.136 (S_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: 166
Temperature: 0.900000
Total energy: -369.945288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.945288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.799944 (E_RNA)
where:
Base-Base interactions energy: -262.607
where: short stacking energy: -101.387
Base-Backbone interact. energy: -0.763
local terms energy: -108.430067
where:
bonds (distance) C4'-P energy: -20.331
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -27.031
flat angles P-C4'-P energy: -16.495
tors. eta vs tors. theta energy: -26.769
Dist. restrs. and SS energy: 1.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -350.547810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.547810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.554359 (E_RNA)
where:
Base-Base interactions energy: -239.562
where: short stacking energy: -92.579
Base-Backbone interact. energy: -0.548
local terms energy: -110.444155
where:
bonds (distance) C4'-P energy: -24.565
bonds (distance) P-C4' energy: -20.561
flat angles C4'-P-C4' energy: -18.631
flat angles P-C4'-P energy: -19.714
tors. eta vs tors. theta energy: -26.973
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: 10
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -354.405148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.405148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.660556 (E_RNA)
where:
Base-Base interactions energy: -250.086
where: short stacking energy: -101.372
Base-Backbone interact. energy: -0.568
local terms energy: -105.006494
where:
bonds (distance) C4'-P energy: -19.991
bonds (distance) P-C4' energy: -22.155
flat angles C4'-P-C4' energy: -24.418
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: -24.685
Dist. restrs. and SS energy: 1.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -347.428973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.428973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.386484 (E_RNA)
where:
Base-Base interactions energy: -247.682
where: short stacking energy: -90.660
Base-Backbone interact. energy: -1.656
local terms energy: -100.048077
where:
bonds (distance) C4'-P energy: -21.745
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -18.351
flat angles P-C4'-P energy: -15.029
tors. eta vs tors. theta energy: -28.086
Dist. restrs. and SS energy: 1.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -328.585489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.585489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.665942 (E_RNA)
where:
Base-Base interactions energy: -230.468
where: short stacking energy: -81.322
Base-Backbone interact. energy: 1.047
local terms energy: -100.244707
where:
bonds (distance) C4'-P energy: -18.012
bonds (distance) P-C4' energy: -25.443
flat angles C4'-P-C4' energy: -22.656
flat angles P-C4'-P energy: -16.737
tors. eta vs tors. theta energy: -17.397
Dist. restrs. and SS energy: 1.080 (S_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: 166
Temperature: 1.150000
Total energy: -327.393890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.393890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.394471 (E_RNA)
where:
Base-Base interactions energy: -227.268
where: short stacking energy: -89.415
Base-Backbone interact. energy: -0.158
local terms energy: -100.968690
where:
bonds (distance) C4'-P energy: -20.245
bonds (distance) P-C4' energy: -21.005
flat angles C4'-P-C4' energy: -26.305
flat angles P-C4'-P energy: -17.677
tors. eta vs tors. theta energy: -15.737
Dist. restrs. and SS energy: 1.001 (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: 5
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -258.074180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.074180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.554937 (E_RNA)
where:
Base-Base interactions energy: -177.467
where: short stacking energy: -78.209
Base-Backbone interact. energy: -1.164
local terms energy: -79.923887
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -18.300
flat angles C4'-P-C4' energy: -23.327
flat angles P-C4'-P energy: -5.938
tors. eta vs tors. theta energy: -16.081
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: 8, replica: 1
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -247.493592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.493592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.928938 (E_RNA)
where:
Base-Base interactions energy: -166.150
where: short stacking energy: -73.156
Base-Backbone interact. energy: -1.048
local terms energy: -80.730663
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -23.451
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -9.847
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: 9, replica: 3
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -249.172549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.172549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.797791 (E_RNA)
where:
Base-Base interactions energy: -153.722
where: short stacking energy: -58.838
Base-Backbone interact. energy: -0.649
local terms energy: -99.426915
where:
bonds (distance) C4'-P energy: -25.141
bonds (distance) P-C4' energy: -24.818
flat angles C4'-P-C4' energy: -18.730
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -18.843
Dist. restrs. and SS energy: 4.625 (S_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: -242.481416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.481416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.172698 (E_RNA)
where:
Base-Base interactions energy: -158.624
where: short stacking energy: -71.024
Base-Backbone interact. energy: -0.272
local terms energy: -84.277068
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -23.922
flat angles C4'-P-C4' energy: -20.009
flat angles P-C4'-P energy: -13.195
tors. eta vs tors. theta energy: -11.295
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: 9
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -370.035518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.035518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.581405 (E_RNA)
where:
Base-Base interactions energy: -251.933
where: short stacking energy: -103.568
Base-Backbone interact. energy: -1.626
local terms energy: -118.022610
where:
bonds (distance) C4'-P energy: -22.599
bonds (distance) P-C4' energy: -24.676
flat angles C4'-P-C4' energy: -22.436
flat angles P-C4'-P energy: -16.403
tors. eta vs tors. theta energy: -31.909
Dist. restrs. and SS energy: 1.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -358.622757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.622757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.171105 (E_RNA)
where:
Base-Base interactions energy: -245.196
where: short stacking energy: -103.745
Base-Backbone interact. energy: -0.432
local terms energy: -113.542862
where:
bonds (distance) C4'-P energy: -20.720
bonds (distance) P-C4' energy: -20.680
flat angles C4'-P-C4' energy: -21.577
flat angles P-C4'-P energy: -17.543
tors. eta vs tors. theta energy: -33.023
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: 3, replica: 10
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -351.381267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.381267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.332462 (E_RNA)
where:
Base-Base interactions energy: -245.102
where: short stacking energy: -82.923
Base-Backbone interact. energy: -0.065
local terms energy: -107.165937
where:
bonds (distance) C4'-P energy: -24.697
bonds (distance) P-C4' energy: -22.787
flat angles C4'-P-C4' energy: -19.943
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -30.683
Dist. restrs. and SS energy: 0.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -338.871194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.871194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.383680 (E_RNA)
where:
Base-Base interactions energy: -241.974
where: short stacking energy: -84.639
Base-Backbone interact. energy: -1.268
local terms energy: -96.142397
where:
bonds (distance) C4'-P energy: -17.334
bonds (distance) P-C4' energy: -21.020
flat angles C4'-P-C4' energy: -18.799
flat angles P-C4'-P energy: -14.768
tors. eta vs tors. theta energy: -24.221
Dist. restrs. and SS energy: 0.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -312.500501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.500501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.293479 (E_RNA)
where:
Base-Base interactions energy: -212.526
where: short stacking energy: -94.349
Base-Backbone interact. energy: -0.651
local terms energy: -100.117456
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -22.722
flat angles C4'-P-C4' energy: -19.764
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -23.838
Dist. restrs. and SS energy: 0.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -281.426084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.426084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.066414 (E_RNA)
where:
Base-Base interactions energy: -190.618
where: short stacking energy: -88.878
Base-Backbone interact. energy: 1.413
local terms energy: -96.861811
where:
bonds (distance) C4'-P energy: -19.968
bonds (distance) P-C4' energy: -24.092
flat angles C4'-P-C4' energy: -23.615
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -17.548
Dist. restrs. and SS energy: 4.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -246.079124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.079124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.374417 (E_RNA)
where:
Base-Base interactions energy: -152.110
where: short stacking energy: -59.980
Base-Backbone interact. energy: -0.865
local terms energy: -94.399385
where:
bonds (distance) C4'-P energy: -19.755
bonds (distance) P-C4' energy: -25.250
flat angles C4'-P-C4' energy: -19.285
flat angles P-C4'-P energy: -18.730
tors. eta vs tors. theta energy: -11.379
Dist. restrs. and SS energy: 1.295 (S_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: 167
Temperature: 1.250000
Total energy: -247.558381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.558381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.203825 (E_RNA)
where:
Base-Base interactions energy: -169.959
where: short stacking energy: -63.744
Base-Backbone interact. energy: -0.349
local terms energy: -77.895720
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -11.052
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: 9, replica: 1
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -220.793057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.793057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.621298 (E_RNA)
where:
Base-Base interactions energy: -159.625
where: short stacking energy: -67.215
Base-Backbone interact. energy: 0.693
local terms energy: -64.689525
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -23.452
flat angles C4'-P-C4' energy: -10.233
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -5.743
Dist. restrs. and SS energy: 2.828 (S_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: -269.827468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.827468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.913309 (E_RNA)
where:
Base-Base interactions energy: -195.075
where: short stacking energy: -70.185
Base-Backbone interact. energy: -0.575
local terms energy: -74.263421
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: -17.098
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: 9
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -370.036323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.036323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.333783 (E_RNA)
where:
Base-Base interactions energy: -254.760
where: short stacking energy: -100.881
Base-Backbone interact. energy: -0.551
local terms energy: -116.022437
where:
bonds (distance) C4'-P energy: -22.629
bonds (distance) P-C4' energy: -25.320
flat angles C4'-P-C4' energy: -21.297
flat angles P-C4'-P energy: -17.581
tors. eta vs tors. theta energy: -29.195
Dist. restrs. and SS energy: 1.297 (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: 2
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -357.929467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.929467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.013602 (E_RNA)
where:
Base-Base interactions energy: -245.163
where: short stacking energy: -98.841
Base-Backbone interact. energy: -0.744
local terms energy: -112.106864
where:
bonds (distance) C4'-P energy: -22.292
bonds (distance) P-C4' energy: -20.708
flat angles C4'-P-C4' energy: -19.474
flat angles P-C4'-P energy: -19.655
tors. eta vs tors. theta energy: -29.979
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: 3, replica: 4
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -344.314065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.314065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.882308 (E_RNA)
where:
Base-Base interactions energy: -233.391
where: short stacking energy: -95.710
Base-Backbone interact. energy: -0.515
local terms energy: -110.976070
where:
bonds (distance) C4'-P energy: -23.293
bonds (distance) P-C4' energy: -21.154
flat angles C4'-P-C4' energy: -25.885
flat angles P-C4'-P energy: -14.646
tors. eta vs tors. theta energy: -25.998
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: 10
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -355.982562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.982562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.319983 (E_RNA)
where:
Base-Base interactions energy: -244.446
where: short stacking energy: -93.793
Base-Backbone interact. energy: -0.496
local terms energy: -111.378071
where:
bonds (distance) C4'-P energy: -20.981
bonds (distance) P-C4' energy: -23.171
flat angles C4'-P-C4' energy: -25.202
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -28.366
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: 5, replica: 6
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -314.510341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.510341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.315370 (E_RNA)
where:
Base-Base interactions energy: -216.282
where: short stacking energy: -84.324
Base-Backbone interact. energy: -0.346
local terms energy: -98.687264
where:
bonds (distance) C4'-P energy: -21.174
bonds (distance) P-C4' energy: -20.554
flat angles C4'-P-C4' energy: -23.849
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -21.286
Dist. restrs. and SS energy: 0.805 (S_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: 168
Temperature: 1.150000
Total energy: -277.953956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.953956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.051066 (E_RNA)
where:
Base-Base interactions energy: -188.312
where: short stacking energy: -80.126
Base-Backbone interact. energy: 0.314
local terms energy: -92.053681
where:
bonds (distance) C4'-P energy: -19.659
bonds (distance) P-C4' energy: -23.321
flat angles C4'-P-C4' energy: -24.944
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -11.907
Dist. restrs. and SS energy: 2.097 (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: 168
Temperature: 1.200000
Total energy: -268.283934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.283934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.764318 (E_RNA)
where:
Base-Base interactions energy: -185.616
where: short stacking energy: -79.461
Base-Backbone interact. energy: -0.423
local terms energy: -84.725996
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -16.739
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -16.870
tors. eta vs tors. theta energy: -19.019
Dist. restrs. and SS energy: 2.480 (S_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: 168
Temperature: 1.250000
Total energy: -242.739738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.739738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.939280 (E_RNA)
where:
Base-Base interactions energy: -162.437
where: short stacking energy: -66.097
Base-Backbone interact. energy: 0.107
local terms energy: -80.608671
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -23.054
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -11.876
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: 8
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -282.748306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.748306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.315110 (E_RNA)
where:
Base-Base interactions energy: -198.321
where: short stacking energy: -77.232
Base-Backbone interact. energy: -0.147
local terms energy: -85.846955
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -21.865
flat angles C4'-P-C4' energy: -19.102
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -21.646
Dist. restrs. and SS energy: 1.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -216.173618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.173618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.971929 (E_RNA)
where:
Base-Base interactions energy: -142.232
where: short stacking energy: -48.300
Base-Backbone interact. energy: -1.063
local terms energy: -74.676296
where:
bonds (distance) C4'-P energy: -19.821
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -20.837
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -6.994
Dist. restrs. and SS energy: 1.798 (S_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: 169
Temperature: 0.900000
Total energy: -372.518875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.518875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.411712 (E_RNA)
where:
Base-Base interactions energy: -261.723
where: short stacking energy: -102.675
Base-Backbone interact. energy: -0.670
local terms energy: -111.018895
where:
bonds (distance) C4'-P energy: -25.360
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -21.461
flat angles P-C4'-P energy: -17.300
tors. eta vs tors. theta energy: -30.204
Dist. restrs. and SS energy: 0.893 (S_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: 169
Temperature: 0.950000
Total energy: -357.011250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.011250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.384283 (E_RNA)
where:
Base-Base interactions energy: -247.127
where: short stacking energy: -94.249
Base-Backbone interact. energy: -0.959
local terms energy: -110.297948
where:
bonds (distance) C4'-P energy: -23.055
bonds (distance) P-C4' energy: -18.198
flat angles C4'-P-C4' energy: -24.203
flat angles P-C4'-P energy: -17.562
tors. eta vs tors. theta energy: -27.280
Dist. restrs. and SS energy: 1.373 (S_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: -349.365652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.365652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.644963 (E_RNA)
where:
Base-Base interactions energy: -243.313
where: short stacking energy: -93.458
Base-Backbone interact. energy: -1.685
local terms energy: -105.646612
where:
bonds (distance) C4'-P energy: -21.486
bonds (distance) P-C4' energy: -18.217
flat angles C4'-P-C4' energy: -21.815
flat angles P-C4'-P energy: -14.465
tors. eta vs tors. theta energy: -29.664
Dist. restrs. and SS energy: 1.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -350.369355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.369355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.071468 (E_RNA)
where:
Base-Base interactions energy: -242.263
where: short stacking energy: -98.273
Base-Backbone interact. energy: -0.713
local terms energy: -108.095003
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -20.707
flat angles C4'-P-C4' energy: -24.831
flat angles P-C4'-P energy: -18.263
tors. eta vs tors. theta energy: -29.304
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: 5, replica: 6
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -313.474475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.474475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.220003 (E_RNA)
where:
Base-Base interactions energy: -213.609
where: short stacking energy: -86.892
Base-Backbone interact. energy: -0.054
local terms energy: -100.557153
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -22.266
flat angles C4'-P-C4' energy: -22.117
flat angles P-C4'-P energy: -13.945
tors. eta vs tors. theta energy: -23.696
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: 6, replica: 3
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -297.502299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.502299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.121099 (E_RNA)
where:
Base-Base interactions energy: -197.902
where: short stacking energy: -71.835
Base-Backbone interact. energy: -0.536
local terms energy: -99.683029
where:
bonds (distance) C4'-P energy: -20.793
bonds (distance) P-C4' energy: -25.470
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -16.405
tors. eta vs tors. theta energy: -24.087
Dist. restrs. and SS energy: 0.619 (S_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: 169
Temperature: 1.200000
Total energy: -268.277053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.277053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.552131 (E_RNA)
where:
Base-Base interactions energy: -179.470
where: short stacking energy: -62.507
Base-Backbone interact. energy: -0.175
local terms energy: -89.906845
where:
bonds (distance) C4'-P energy: -18.560
bonds (distance) P-C4' energy: -23.387
flat angles C4'-P-C4' energy: -24.707
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -10.513
Dist. restrs. and SS energy: 1.275 (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: 5
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -273.596775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.596775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.669754 (E_RNA)
where:
Base-Base interactions energy: -188.007
where: short stacking energy: -85.154
Base-Backbone interact. energy: -1.114
local terms energy: -84.548220
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -22.549
flat angles C4'-P-C4' energy: -18.275
flat angles P-C4'-P energy: -12.165
tors. eta vs tors. theta energy: -18.185
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: 8
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -237.454150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.454150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.224152 (E_RNA)
where:
Base-Base interactions energy: -162.210
where: short stacking energy: -64.898
Base-Backbone interact. energy: -0.254
local terms energy: -77.760235
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -16.521
tors. eta vs tors. theta energy: -13.524
Dist. restrs. and SS energy: 2.770 (S_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: 169
Temperature: 1.350000
Total energy: -219.248450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.248450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.196882 (E_RNA)
where:
Base-Base interactions energy: -147.818
where: short stacking energy: -65.645
Base-Backbone interact. energy: 2.226
local terms energy: -78.605202
where:
bonds (distance) C4'-P energy: -21.593
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -11.176
flat angles P-C4'-P energy: -16.307
tors. eta vs tors. theta energy: -12.569
Dist. restrs. and SS energy: 4.948 (S_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: 170
Temperature: 0.900000
Total energy: -359.810536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.810536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.531734 (E_RNA)
where:
Base-Base interactions energy: -246.441
where: short stacking energy: -97.492
Base-Backbone interact. energy: -0.644
local terms energy: -113.446239
where:
bonds (distance) C4'-P energy: -21.290
bonds (distance) P-C4' energy: -20.452
flat angles C4'-P-C4' energy: -24.077
flat angles P-C4'-P energy: -17.093
tors. eta vs tors. theta energy: -30.534
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: 2, replica: 2
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -360.832787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.832787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.469870 (E_RNA)
where:
Base-Base interactions energy: -248.665
where: short stacking energy: -99.870
Base-Backbone interact. energy: -0.216
local terms energy: -113.589047
where:
bonds (distance) C4'-P energy: -23.597
bonds (distance) P-C4' energy: -20.139
flat angles C4'-P-C4' energy: -25.199
flat angles P-C4'-P energy: -18.052
tors. eta vs tors. theta energy: -26.602
Dist. restrs. and SS energy: 1.637 (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: 10
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -351.494169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.494169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.389414 (E_RNA)
where:
Base-Base interactions energy: -249.875
where: short stacking energy: -101.803
Base-Backbone interact. energy: -0.370
local terms energy: -102.144576
where:
bonds (distance) C4'-P energy: -19.820
bonds (distance) P-C4' energy: -21.790
flat angles C4'-P-C4' energy: -20.019
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -28.267
Dist. restrs. and SS energy: 0.895 (S_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: -358.153243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.153243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.920795 (E_RNA)
where:
Base-Base interactions energy: -257.149
where: short stacking energy: -99.030
Base-Backbone interact. energy: -0.466
local terms energy: -102.306009
where:
bonds (distance) C4'-P energy: -18.810
bonds (distance) P-C4' energy: -23.465
flat angles C4'-P-C4' energy: -19.836
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -27.206
Dist. restrs. and SS energy: 1.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -301.198369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.198369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.576080 (E_RNA)
where:
Base-Base interactions energy: -215.090
where: short stacking energy: -78.545
Base-Backbone interact. energy: -0.170
local terms energy: -87.315521
where:
bonds (distance) C4'-P energy: -19.307
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -20.698
Dist. restrs. and SS energy: 1.378 (S_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: 170
Temperature: 1.150000
Total energy: -257.315738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.315738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.750225 (E_RNA)
where:
Base-Base interactions energy: -168.396
where: short stacking energy: -60.268
Base-Backbone interact. energy: -0.783
local terms energy: -88.570709
where:
bonds (distance) C4'-P energy: -18.361
bonds (distance) P-C4' energy: -23.064
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -15.993
tors. eta vs tors. theta energy: -12.494
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: 7, replica: 5
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -294.397597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.397597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.527867 (E_RNA)
where:
Base-Base interactions energy: -199.333
where: short stacking energy: -75.306
Base-Backbone interact. energy: -0.326
local terms energy: -94.868231
where:
bonds (distance) C4'-P energy: -19.498
bonds (distance) P-C4' energy: -21.116
flat angles C4'-P-C4' energy: -19.852
flat angles P-C4'-P energy: -16.236
tors. eta vs tors. theta energy: -18.166
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: 8, replica: 7
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -236.791429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.791429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.606687 (E_RNA)
where:
Base-Base interactions energy: -159.347
where: short stacking energy: -68.897
Base-Backbone interact. energy: -0.259
local terms energy: -82.000287
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -20.940
flat angles C4'-P-C4' energy: -20.833
flat angles P-C4'-P energy: -14.045
tors. eta vs tors. theta energy: -11.669
Dist. restrs. and SS energy: 4.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -210.705802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.705802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.177774 (E_RNA)
where:
Base-Base interactions energy: -143.782
where: short stacking energy: -60.100
Base-Backbone interact. energy: 0.331
local terms energy: -67.726254
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -22.113
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -4.650
tors. eta vs tors. theta energy: -12.111
Dist. restrs. and SS energy: 0.472 (S_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: 170
Temperature: 1.350000
Total energy: -231.961058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.961058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.934094 (E_RNA)
where:
Base-Base interactions energy: -144.524
where: short stacking energy: -61.606
Base-Backbone interact. energy: -0.516
local terms energy: -92.894307
where:
bonds (distance) C4'-P energy: -17.646
bonds (distance) P-C4' energy: -23.271
flat angles C4'-P-C4' energy: -22.983
flat angles P-C4'-P energy: -6.309
tors. eta vs tors. theta energy: -22.686
Dist. restrs. and SS energy: 5.973 (S_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: 171
Temperature: 0.900000
Total energy: -361.433027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.433027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.800335 (E_RNA)
where:
Base-Base interactions energy: -244.123
where: short stacking energy: -102.148
Base-Backbone interact. energy: 0.389
local terms energy: -120.065582
where:
bonds (distance) C4'-P energy: -24.642
bonds (distance) P-C4' energy: -23.902
flat angles C4'-P-C4' energy: -25.115
flat angles P-C4'-P energy: -15.321
tors. eta vs tors. theta energy: -31.086
Dist. restrs. and SS energy: 2.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -356.184422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.184422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.734290 (E_RNA)
where:
Base-Base interactions energy: -243.806
where: short stacking energy: -97.983
Base-Backbone interact. energy: -0.816
local terms energy: -112.112701
where:
bonds (distance) C4'-P energy: -27.357
bonds (distance) P-C4' energy: -19.149
flat angles C4'-P-C4' energy: -22.159
flat angles P-C4'-P energy: -14.891
tors. eta vs tors. theta energy: -28.558
Dist. restrs. and SS energy: 0.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -353.441670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.441670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.099094 (E_RNA)
where:
Base-Base interactions energy: -256.121
where: short stacking energy: -95.047
Base-Backbone interact. energy: -0.557
local terms energy: -98.420474
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -20.057
flat angles C4'-P-C4' energy: -20.581
flat angles P-C4'-P energy: -13.229
tors. eta vs tors. theta energy: -27.246
Dist. restrs. and SS energy: 1.657 (S_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: -347.713436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.713436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.483147 (E_RNA)
where:
Base-Base interactions energy: -247.866
where: short stacking energy: -91.762
Base-Backbone interact. energy: -0.648
local terms energy: -100.968904
where:
bonds (distance) C4'-P energy: -20.633
bonds (distance) P-C4' energy: -20.474
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -15.814
tors. eta vs tors. theta energy: -27.458
Dist. restrs. and SS energy: 1.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -297.091844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.091844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.681919 (E_RNA)
where:
Base-Base interactions energy: -200.796
where: short stacking energy: -86.805
Base-Backbone interact. energy: -0.719
local terms energy: -97.166764
where:
bonds (distance) C4'-P energy: -23.242
bonds (distance) P-C4' energy: -21.031
flat angles C4'-P-C4' energy: -21.178
flat angles P-C4'-P energy: -20.618
tors. eta vs tors. theta energy: -11.098
Dist. restrs. and SS energy: 1.590 (S_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: 171
Temperature: 1.150000
Total energy: -305.986294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.986294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.009983 (E_RNA)
where:
Base-Base interactions energy: -214.450
where: short stacking energy: -86.593
Base-Backbone interact. energy: -0.192
local terms energy: -91.367886
where:
bonds (distance) C4'-P energy: -23.779
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -21.459
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: -22.128
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: 171
Temperature: 1.200000
Total energy: -257.560535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.560535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.967195 (E_RNA)
where:
Base-Base interactions energy: -179.233
where: short stacking energy: -67.749
Base-Backbone interact. energy: -0.892
local terms energy: -79.842545
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -18.515
flat angles C4'-P-C4' energy: -23.734
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -11.099
Dist. restrs. and SS energy: 2.407 (S_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: 171
Temperature: 1.250000
Total energy: -237.760715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.760715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.204677 (E_RNA)
where:
Base-Base interactions energy: -156.284
where: short stacking energy: -68.450
Base-Backbone interact. energy: 0.193
local terms energy: -90.113019
where:
bonds (distance) C4'-P energy: -21.654
bonds (distance) P-C4' energy: -21.893
flat angles C4'-P-C4' energy: -20.903
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -17.373
Dist. restrs. and SS energy: 8.444 (S_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: 171
Temperature: 1.300000
Total energy: -257.817495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.817495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.650838 (E_RNA)
where:
Base-Base interactions energy: -177.620
where: short stacking energy: -65.312
Base-Backbone interact. energy: -0.855
local terms energy: -80.176512
where:
bonds (distance) C4'-P energy: -19.490
bonds (distance) P-C4' energy: -20.308
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -14.668
tors. eta vs tors. theta energy: -10.153
Dist. restrs. and SS energy: 0.833 (S_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: 171
Temperature: 1.350000
Total energy: -235.599699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.599699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.394485 (E_RNA)
where:
Base-Base interactions energy: -170.199
where: short stacking energy: -63.794
Base-Backbone interact. energy: -0.707
local terms energy: -70.488187
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -20.816
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -4.433
tors. eta vs tors. theta energy: -18.747
Dist. restrs. and SS energy: 5.795 (S_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: 172
Temperature: 0.900000
Total energy: -372.410495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.410495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.927376 (E_RNA)
where:
Base-Base interactions energy: -259.201
where: short stacking energy: -95.937
Base-Backbone interact. energy: -2.179
local terms energy: -111.547403
where:
bonds (distance) C4'-P energy: -22.008
bonds (distance) P-C4' energy: -22.058
flat angles C4'-P-C4' energy: -21.436
flat angles P-C4'-P energy: -16.540
tors. eta vs tors. theta energy: -29.505
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: 2, replica: 9
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -369.105609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.105609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.099287 (E_RNA)
where:
Base-Base interactions energy: -250.170
where: short stacking energy: -100.082
Base-Backbone interact. energy: 0.058
local terms energy: -119.987421
where:
bonds (distance) C4'-P energy: -21.038
bonds (distance) P-C4' energy: -23.752
flat angles C4'-P-C4' energy: -26.368
flat angles P-C4'-P energy: -17.179
tors. eta vs tors. theta energy: -31.650
Dist. restrs. and SS energy: 0.994 (S_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: -349.257052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.257052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.644314 (E_RNA)
where:
Base-Base interactions energy: -245.127
where: short stacking energy: -97.311
Base-Backbone interact. energy: 1.425
local terms energy: -106.942494
where:
bonds (distance) C4'-P energy: -18.760
bonds (distance) P-C4' energy: -28.333
flat angles C4'-P-C4' energy: -23.453
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -25.430
Dist. restrs. and SS energy: 1.387 (S_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: 172
Temperature: 1.050000
Total energy: -340.867625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.867625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.169370 (E_RNA)
where:
Base-Base interactions energy: -244.545
where: short stacking energy: -98.960
Base-Backbone interact. energy: -0.618
local terms energy: -96.005650
where:
bonds (distance) C4'-P energy: -20.067
bonds (distance) P-C4' energy: -11.854
flat angles C4'-P-C4' energy: -22.664
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -30.901
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: 5
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -286.738522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.738522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.879294 (E_RNA)
where:
Base-Base interactions energy: -186.135
where: short stacking energy: -71.563
Base-Backbone interact. energy: -0.446
local terms energy: -100.298985
where:
bonds (distance) C4'-P energy: -19.878
bonds (distance) P-C4' energy: -24.038
flat angles C4'-P-C4' energy: -19.343
flat angles P-C4'-P energy: -15.775
tors. eta vs tors. theta energy: -21.264
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: 6, replica: 6
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -310.855583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.855583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.814098 (E_RNA)
where:
Base-Base interactions energy: -212.521
where: short stacking energy: -84.221
Base-Backbone interact. energy: 0.622
local terms energy: -100.914997
where:
bonds (distance) C4'-P energy: -20.635
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -19.387
flat angles P-C4'-P energy: -16.071
tors. eta vs tors. theta energy: -26.432
Dist. restrs. and SS energy: 1.959 (S_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: 172
Temperature: 1.200000
Total energy: -241.355370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.355370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.848807 (E_RNA)
where:
Base-Base interactions energy: -159.010
where: short stacking energy: -84.914
Base-Backbone interact. energy: -1.647
local terms energy: -86.191950
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -24.207
flat angles C4'-P-C4' energy: -21.958
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -18.597
Dist. restrs. and SS energy: 5.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -239.994248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.994248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.029315 (E_RNA)
where:
Base-Base interactions energy: -160.591
where: short stacking energy: -56.314
Base-Backbone interact. energy: -1.192
local terms energy: -80.246084
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -18.064
flat angles C4'-P-C4' energy: -18.727
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -13.252
Dist. restrs. and SS energy: 2.035 (S_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: 172
Temperature: 1.300000
Total energy: -235.945412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.945412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.024741 (E_RNA)
where:
Base-Base interactions energy: -166.690
where: short stacking energy: -72.093
Base-Backbone interact. energy: 1.243
local terms energy: -71.577727
where:
bonds (distance) C4'-P energy: -2.842
bonds (distance) P-C4' energy: -19.490
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -18.509
Dist. restrs. and SS energy: 1.079 (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: 7
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -250.065098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.065098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.092373 (E_RNA)
where:
Base-Base interactions energy: -167.243
where: short stacking energy: -64.482
Base-Backbone interact. energy: -0.615
local terms energy: -82.235032
where:
bonds (distance) C4'-P energy: -19.246
bonds (distance) P-C4' energy: -20.360
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: -16.489
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: 173
Temperature: 0.900000
Total energy: -373.234876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.234876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.734786 (E_RNA)
where:
Base-Base interactions energy: -275.503
where: short stacking energy: -98.769
Base-Backbone interact. energy: 0.272
local terms energy: -98.504182
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -21.032
flat angles C4'-P-C4' energy: -19.366
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -25.388
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: 2, replica: 4
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -357.678719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.678719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.618130 (E_RNA)
where:
Base-Base interactions energy: -265.685
where: short stacking energy: -96.475
Base-Backbone interact. energy: -0.586
local terms energy: -92.346850
where:
bonds (distance) C4'-P energy: -15.234
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -16.792
tors. eta vs tors. theta energy: -29.857
Dist. restrs. and SS energy: 0.939 (S_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: 173
Temperature: 1.000000
Total energy: -357.053185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.053185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.796316 (E_RNA)
where:
Base-Base interactions energy: -252.075
where: short stacking energy: -97.258
Base-Backbone interact. energy: -0.162
local terms energy: -106.559696
where:
bonds (distance) C4'-P energy: -21.060
bonds (distance) P-C4' energy: -21.604
flat angles C4'-P-C4' energy: -20.093
flat angles P-C4'-P energy: -17.061
tors. eta vs tors. theta energy: -26.742
Dist. restrs. and SS energy: 1.743 (S_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: 173
Temperature: 1.050000
Total energy: -343.481725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.481725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.810981 (E_RNA)
where:
Base-Base interactions energy: -243.516
where: short stacking energy: -97.758
Base-Backbone interact. energy: -0.760
local terms energy: -99.535327
where:
bonds (distance) C4'-P energy: -21.526
bonds (distance) P-C4' energy: -19.638
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -14.441
tors. eta vs tors. theta energy: -28.707
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: 5
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -284.898975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.898975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.933100 (E_RNA)
where:
Base-Base interactions energy: -196.212
where: short stacking energy: -88.723
Base-Backbone interact. energy: -1.009
local terms energy: -87.712151
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -23.312
flat angles P-C4'-P energy: -14.050
tors. eta vs tors. theta energy: -18.480
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: 6
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -301.226205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.226205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.678148 (E_RNA)
where:
Base-Base interactions energy: -209.462
where: short stacking energy: -85.770
Base-Backbone interact. energy: -0.606
local terms energy: -93.610148
where:
bonds (distance) C4'-P energy: -20.205
bonds (distance) P-C4' energy: -18.329
flat angles C4'-P-C4' energy: -21.526
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -21.068
Dist. restrs. and SS energy: 2.452 (S_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: 173
Temperature: 1.200000
Total energy: -229.134487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.134487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.966256 (E_RNA)
where:
Base-Base interactions energy: -148.890
where: short stacking energy: -66.337
Base-Backbone interact. energy: 2.078
local terms energy: -83.154578
where:
bonds (distance) C4'-P energy: -18.637
bonds (distance) P-C4' energy: -21.067
flat angles C4'-P-C4' energy: -21.002
flat angles P-C4'-P energy: -14.390
tors. eta vs tors. theta energy: -8.058
Dist. restrs. and SS energy: 0.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -255.107818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.107818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.971366 (E_RNA)
where:
Base-Base interactions energy: -173.494
where: short stacking energy: -77.174
Base-Backbone interact. energy: 0.018
local terms energy: -83.494449
where:
bonds (distance) C4'-P energy: -19.539
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -20.169
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -17.506
Dist. restrs. and SS energy: 1.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -242.191472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.191472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.243439 (E_RNA)
where:
Base-Base interactions energy: -168.288
where: short stacking energy: -73.689
Base-Backbone interact. energy: 5.176
local terms energy: -85.131589
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -15.277
flat angles C4'-P-C4' energy: -22.353
flat angles P-C4'-P energy: -15.872
tors. eta vs tors. theta energy: -15.618
Dist. restrs. and SS energy: 6.052 (S_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: 173
Temperature: 1.350000
Total energy: -232.100976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.100976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.622350 (E_RNA)
where:
Base-Base interactions energy: -143.465
where: short stacking energy: -55.211
Base-Backbone interact. energy: -0.962
local terms energy: -89.194825
where:
bonds (distance) C4'-P energy: -20.375
bonds (distance) P-C4' energy: -24.641
flat angles C4'-P-C4' energy: -19.608
flat angles P-C4'-P energy: -16.267
tors. eta vs tors. theta energy: -8.304
Dist. restrs. and SS energy: 1.521 (S_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: 174
Temperature: 0.900000
Total energy: -367.443469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.443469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.988086 (E_RNA)
where:
Base-Base interactions energy: -256.637
where: short stacking energy: -100.181
Base-Backbone interact. energy: -0.806
local terms energy: -110.544894
where:
bonds (distance) C4'-P energy: -24.733
bonds (distance) P-C4' energy: -23.958
flat angles C4'-P-C4' energy: -24.012
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -29.523
Dist. restrs. and SS energy: 0.545 (S_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: 174
Temperature: 0.950000
Total energy: -358.231599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.231599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.394531 (E_RNA)
where:
Base-Base interactions energy: -252.101
where: short stacking energy: -94.513
Base-Backbone interact. energy: 0.992
local terms energy: -108.285298
where:
bonds (distance) C4'-P energy: -24.954
bonds (distance) P-C4' energy: -23.068
flat angles C4'-P-C4' energy: -21.267
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -25.084
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: 3, replica: 2
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -343.802751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.802751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.635161 (E_RNA)
where:
Base-Base interactions energy: -241.549
where: short stacking energy: -89.012
Base-Backbone interact. energy: -0.608
local terms energy: -102.477881
where:
bonds (distance) C4'-P energy: -17.569
bonds (distance) P-C4' energy: -22.934
flat angles C4'-P-C4' energy: -22.195
flat angles P-C4'-P energy: -14.429
tors. eta vs tors. theta energy: -25.351
Dist. restrs. and SS energy: 0.832 (S_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: 174
Temperature: 1.050000
Total energy: -343.724959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.724959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.205463 (E_RNA)
where:
Base-Base interactions energy: -242.208
where: short stacking energy: -85.999
Base-Backbone interact. energy: 0.302
local terms energy: -102.300035
where:
bonds (distance) C4'-P energy: -17.553
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -26.156
flat angles P-C4'-P energy: -19.190
tors. eta vs tors. theta energy: -21.733
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: 6
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -298.905834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.905834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.699315 (E_RNA)
where:
Base-Base interactions energy: -209.076
where: short stacking energy: -80.809
Base-Backbone interact. energy: -0.664
local terms energy: -90.959485
where:
bonds (distance) C4'-P energy: -21.443
bonds (distance) P-C4' energy: -10.016
flat angles C4'-P-C4' energy: -22.107
flat angles P-C4'-P energy: -17.793
tors. eta vs tors. theta energy: -19.600
Dist. restrs. and SS energy: 1.793 (S_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: -273.050739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.050739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.193090 (E_RNA)
where:
Base-Base interactions energy: -174.828
where: short stacking energy: -74.833
Base-Backbone interact. energy: -0.831
local terms energy: -97.534391
where:
bonds (distance) C4'-P energy: -24.921
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -20.834
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: -21.312
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: 7, replica: 8
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -291.505202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.505202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.536228 (E_RNA)
where:
Base-Base interactions energy: -212.027
where: short stacking energy: -77.401
Base-Backbone interact. energy: -1.811
local terms energy: -77.698104
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -15.202
tors. eta vs tors. theta energy: -13.876
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: 1
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -223.276042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.276042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.607195 (E_RNA)
where:
Base-Base interactions energy: -141.404
where: short stacking energy: -61.629
Base-Backbone interact. energy: -1.246
local terms energy: -82.957523
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -21.941
flat angles C4'-P-C4' energy: -22.846
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -11.508
Dist. restrs. and SS energy: 2.331 (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: 3
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -237.702743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.702743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.017967 (E_RNA)
where:
Base-Base interactions energy: -150.920
where: short stacking energy: -53.868
Base-Backbone interact. energy: -0.171
local terms energy: -89.927551
where:
bonds (distance) C4'-P energy: -24.680
bonds (distance) P-C4' energy: -24.744
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -14.279
tors. eta vs tors. theta energy: -8.339
Dist. restrs. and SS energy: 3.315 (S_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: 174
Temperature: 1.350000
Total energy: -233.487747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.487747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.047790 (E_RNA)
where:
Base-Base interactions energy: -152.249
where: short stacking energy: -58.454
Base-Backbone interact. energy: 0.293
local terms energy: -85.091490
where:
bonds (distance) C4'-P energy: -21.012
bonds (distance) P-C4' energy: -18.314
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -15.616
tors. eta vs tors. theta energy: -15.155
Dist. restrs. and SS energy: 3.560 (S_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: 175
Temperature: 0.900000
Total energy: -363.282123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.282123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.748816 (E_RNA)
where:
Base-Base interactions energy: -271.370
where: short stacking energy: -99.091
Base-Backbone interact. energy: -0.468
local terms energy: -92.911336
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -18.503
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: -27.919
Dist. restrs. and SS energy: 1.467 (S_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: -349.131888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.131888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.957660 (E_RNA)
where:
Base-Base interactions energy: -238.573
where: short stacking energy: -87.381
Base-Backbone interact. energy: -0.838
local terms energy: -111.546945
where:
bonds (distance) C4'-P energy: -23.356
bonds (distance) P-C4' energy: -22.968
flat angles C4'-P-C4' energy: -23.236
flat angles P-C4'-P energy: -15.219
tors. eta vs tors. theta energy: -26.767
Dist. restrs. and SS energy: 1.826 (S_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: -361.818214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.818214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.003419 (E_RNA)
where:
Base-Base interactions energy: -251.156
where: short stacking energy: -92.806
Base-Backbone interact. energy: -0.751
local terms energy: -111.096469
where:
bonds (distance) C4'-P energy: -21.504
bonds (distance) P-C4' energy: -24.581
flat angles C4'-P-C4' energy: -23.512
flat angles P-C4'-P energy: -15.139
tors. eta vs tors. theta energy: -26.361
Dist. restrs. and SS energy: 1.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -316.957399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.957399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.648779 (E_RNA)
where:
Base-Base interactions energy: -214.457
where: short stacking energy: -76.933
Base-Backbone interact. energy: -0.754
local terms energy: -102.437592
where:
bonds (distance) C4'-P energy: -20.220
bonds (distance) P-C4' energy: -20.432
flat angles C4'-P-C4' energy: -20.960
flat angles P-C4'-P energy: -18.162
tors. eta vs tors. theta energy: -22.663
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: 5, replica: 9
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -346.229308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.229308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.319250 (E_RNA)
where:
Base-Base interactions energy: -235.498
where: short stacking energy: -99.538
Base-Backbone interact. energy: 2.150
local terms energy: -113.971166
where:
bonds (distance) C4'-P energy: -23.282
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -26.019
flat angles P-C4'-P energy: -16.424
tors. eta vs tors. theta energy: -28.299
Dist. restrs. and SS energy: 1.090 (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: 5
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -283.948449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.948449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.012305 (E_RNA)
where:
Base-Base interactions energy: -192.377
where: short stacking energy: -77.486
Base-Backbone interact. energy: -0.135
local terms energy: -91.500254
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -21.288
flat angles C4'-P-C4' energy: -21.429
flat angles P-C4'-P energy: -16.064
tors. eta vs tors. theta energy: -17.899
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: 7, replica: 8
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -328.037644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.037644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.692921 (E_RNA)
where:
Base-Base interactions energy: -231.082
where: short stacking energy: -85.738
Base-Backbone interact. energy: -1.008
local terms energy: -96.603235
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -19.406
flat angles C4'-P-C4' energy: -20.493
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -24.339
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: 8, replica: 3
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -252.840952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.840952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.523279 (E_RNA)
where:
Base-Base interactions energy: -177.151
where: short stacking energy: -70.794
Base-Backbone interact. energy: -0.171
local terms energy: -78.200708
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -16.453
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -17.337
tors. eta vs tors. theta energy: -15.981
Dist. restrs. and SS energy: 2.682 (S_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: 175
Temperature: 1.300000
Total energy: -238.289213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.289213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.993947 (E_RNA)
where:
Base-Base interactions energy: -154.311
where: short stacking energy: -66.179
Base-Backbone interact. energy: -0.307
local terms energy: -85.375865
where:
bonds (distance) C4'-P energy: -21.984
bonds (distance) P-C4' energy: -19.416
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -14.198
Dist. restrs. and SS energy: 1.705 (S_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: 175
Temperature: 1.350000
Total energy: -239.434970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.434970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.020317 (E_RNA)
where:
Base-Base interactions energy: -155.469
where: short stacking energy: -73.572
Base-Backbone interact. energy: -0.053
local terms energy: -88.498646
where:
bonds (distance) C4'-P energy: -20.802
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -19.869
tors. eta vs tors. theta energy: -15.972
Dist. restrs. and SS energy: 4.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -363.650828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.650828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.826992 (E_RNA)
where:
Base-Base interactions energy: -262.080
where: short stacking energy: -98.251
Base-Backbone interact. energy: 1.907
local terms energy: -104.654508
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -24.187
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -18.167
tors. eta vs tors. theta energy: -29.355
Dist. restrs. and SS energy: 1.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -358.312719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.312719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.613272 (E_RNA)
where:
Base-Base interactions energy: -245.596
where: short stacking energy: -94.003
Base-Backbone interact. energy: -0.023
local terms energy: -113.993563
where:
bonds (distance) C4'-P energy: -25.012
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -26.343
flat angles P-C4'-P energy: -16.082
tors. eta vs tors. theta energy: -28.539
Dist. restrs. and SS energy: 1.301 (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: 176
Temperature: 1.000000
Total energy: -350.228112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.228112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.294897 (E_RNA)
where:
Base-Base interactions energy: -237.810
where: short stacking energy: -90.721
Base-Backbone interact. energy: -1.694
local terms energy: -110.791328
where:
bonds (distance) C4'-P energy: -22.359
bonds (distance) P-C4' energy: -24.398
flat angles C4'-P-C4' energy: -27.307
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -26.474
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: 6
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -321.063325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.063325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.707096 (E_RNA)
where:
Base-Base interactions energy: -220.900
where: short stacking energy: -87.163
Base-Backbone interact. energy: -0.539
local terms energy: -100.268178
where:
bonds (distance) C4'-P energy: -25.984
bonds (distance) P-C4' energy: -20.372
flat angles C4'-P-C4' energy: -19.691
flat angles P-C4'-P energy: -14.119
tors. eta vs tors. theta energy: -20.103
Dist. restrs. and SS energy: 0.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -346.144583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.144583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.196768 (E_RNA)
where:
Base-Base interactions energy: -235.796
where: short stacking energy: -89.980
Base-Backbone interact. energy: -2.030
local terms energy: -108.370109
where:
bonds (distance) C4'-P energy: -21.614
bonds (distance) P-C4' energy: -17.279
flat angles C4'-P-C4' energy: -22.342
flat angles P-C4'-P energy: -17.934
tors. eta vs tors. theta energy: -29.202
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: 5
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -260.557127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.557127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.811398 (E_RNA)
where:
Base-Base interactions energy: -171.998
where: short stacking energy: -77.637
Base-Backbone interact. energy: 0.841
local terms energy: -89.653950
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -23.517
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -18.077
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: 7, replica: 8
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -322.643307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.643307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.666366 (E_RNA)
where:
Base-Base interactions energy: -224.813
where: short stacking energy: -86.631
Base-Backbone interact. energy: -0.140
local terms energy: -98.714248
where:
bonds (distance) C4'-P energy: -19.077
bonds (distance) P-C4' energy: -22.979
flat angles C4'-P-C4' energy: -22.105
flat angles P-C4'-P energy: -7.134
tors. eta vs tors. theta energy: -27.420
Dist. restrs. and SS energy: 1.023 (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: 3
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -249.278552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.278552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.642850 (E_RNA)
where:
Base-Base interactions energy: -166.376
where: short stacking energy: -57.553
Base-Backbone interact. energy: -0.480
local terms energy: -85.786128
where:
bonds (distance) C4'-P energy: -22.905
bonds (distance) P-C4' energy: -22.394
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -17.130
tors. eta vs tors. theta energy: -9.233
Dist. restrs. and SS energy: 3.364 (S_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: 176
Temperature: 1.300000
Total energy: -229.642262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.642262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.391852 (E_RNA)
where:
Base-Base interactions energy: -154.206
where: short stacking energy: -63.654
Base-Backbone interact. energy: -0.190
local terms energy: -81.996189
where:
bonds (distance) C4'-P energy: -18.856
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -14.180
tors. eta vs tors. theta energy: -15.485
Dist. restrs. and SS energy: 6.750 (S_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: 176
Temperature: 1.350000
Total energy: -232.082559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.082559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.739801 (E_RNA)
where:
Base-Base interactions energy: -151.460
where: short stacking energy: -63.169
Base-Backbone interact. energy: -0.468
local terms energy: -82.811534
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -22.885
flat angles C4'-P-C4' energy: -21.670
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -14.703
Dist. restrs. and SS energy: 2.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -367.353590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.353590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.568120 (E_RNA)
where:
Base-Base interactions energy: -259.440
where: short stacking energy: -104.944
Base-Backbone interact. energy: -1.088
local terms energy: -108.040712
where:
bonds (distance) C4'-P energy: -22.583
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -20.989
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -29.310
Dist. restrs. and SS energy: 1.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -361.557423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.557423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.056720 (E_RNA)
where:
Base-Base interactions energy: -248.286
where: short stacking energy: -96.176
Base-Backbone interact. energy: -1.823
local terms energy: -112.947996
where:
bonds (distance) C4'-P energy: -22.728
bonds (distance) P-C4' energy: -22.804
flat angles C4'-P-C4' energy: -24.336
flat angles P-C4'-P energy: -16.746
tors. eta vs tors. theta energy: -26.334
Dist. restrs. and SS energy: 1.499 (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: 10
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -367.411462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.411462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.117304 (E_RNA)
where:
Base-Base interactions energy: -257.622
where: short stacking energy: -97.711
Base-Backbone interact. energy: -2.091
local terms energy: -109.404206
where:
bonds (distance) C4'-P energy: -18.766
bonds (distance) P-C4' energy: -23.082
flat angles C4'-P-C4' energy: -20.823
flat angles P-C4'-P energy: -17.512
tors. eta vs tors. theta energy: -29.221
Dist. restrs. and SS energy: 1.706 (S_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: 177
Temperature: 1.050000
Total energy: -342.311774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.311774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.413988 (E_RNA)
where:
Base-Base interactions energy: -245.769
where: short stacking energy: -94.003
Base-Backbone interact. energy: -1.676
local terms energy: -94.968479
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -25.233
flat angles P-C4'-P energy: -15.463
tors. eta vs tors. theta energy: -24.175
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: 5, replica: 6
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -318.894390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.894390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.590318 (E_RNA)
where:
Base-Base interactions energy: -215.290
where: short stacking energy: -88.302
Base-Backbone interact. energy: -0.090
local terms energy: -104.210279
where:
bonds (distance) C4'-P energy: -18.956
bonds (distance) P-C4' energy: -17.130
flat angles C4'-P-C4' energy: -24.045
flat angles P-C4'-P energy: -18.045
tors. eta vs tors. theta energy: -26.035
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: 8
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -307.137754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.137754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.318143 (E_RNA)
where:
Base-Base interactions energy: -219.662
where: short stacking energy: -78.774
Base-Backbone interact. energy: -1.242
local terms energy: -87.413574
where:
bonds (distance) C4'-P energy: -21.928
bonds (distance) P-C4' energy: -10.736
flat angles C4'-P-C4' energy: -21.141
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -23.032
Dist. restrs. and SS energy: 1.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -287.064806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.064806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.424740 (E_RNA)
where:
Base-Base interactions energy: -193.569
where: short stacking energy: -81.519
Base-Backbone interact. energy: -0.785
local terms energy: -93.070963
where:
bonds (distance) C4'-P energy: -23.105
bonds (distance) P-C4' energy: -19.067
flat angles C4'-P-C4' energy: -19.417
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -19.855
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: 8, replica: 7
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -274.621854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.621854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.905345 (E_RNA)
where:
Base-Base interactions energy: -187.968
where: short stacking energy: -81.255
Base-Backbone interact. energy: -0.081
local terms energy: -86.856445
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -20.198
flat angles C4'-P-C4' energy: -23.412
flat angles P-C4'-P energy: -13.752
tors. eta vs tors. theta energy: -15.003
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: 3
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -244.358008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.358008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.307836 (E_RNA)
where:
Base-Base interactions energy: -169.867
where: short stacking energy: -64.249
Base-Backbone interact. energy: -0.211
local terms energy: -76.229755
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -23.207
flat angles C4'-P-C4' energy: -19.275
flat angles P-C4'-P energy: -14.600
tors. eta vs tors. theta energy: -8.104
Dist. restrs. and SS energy: 1.950 (S_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: 177
Temperature: 1.350000
Total energy: -235.877751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.877751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.127480 (E_RNA)
where:
Base-Base interactions energy: -152.600
where: short stacking energy: -63.091
Base-Backbone interact. energy: -0.341
local terms energy: -88.186688
where:
bonds (distance) C4'-P energy: -20.859
bonds (distance) P-C4' energy: -21.050
flat angles C4'-P-C4' energy: -20.257
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -13.983
Dist. restrs. and SS energy: 5.250 (S_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: 178
Temperature: 0.900000
Total energy: -366.121464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.121464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.957940 (E_RNA)
where:
Base-Base interactions energy: -251.087
where: short stacking energy: -97.178
Base-Backbone interact. energy: -0.272
local terms energy: -115.599678
where:
bonds (distance) C4'-P energy: -19.030
bonds (distance) P-C4' energy: -22.805
flat angles C4'-P-C4' energy: -27.646
flat angles P-C4'-P energy: -17.530
tors. eta vs tors. theta energy: -28.589
Dist. restrs. and SS energy: 0.836 (S_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: 178
Temperature: 0.950000
Total energy: -363.177630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.177630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.945019 (E_RNA)
where:
Base-Base interactions energy: -248.005
where: short stacking energy: -97.957
Base-Backbone interact. energy: -0.457
local terms energy: -115.482575
where:
bonds (distance) C4'-P energy: -21.995
bonds (distance) P-C4' energy: -26.939
flat angles C4'-P-C4' energy: -18.624
flat angles P-C4'-P energy: -19.606
tors. eta vs tors. theta energy: -28.318
Dist. restrs. and SS energy: 0.767 (S_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: 178
Temperature: 1.000000
Total energy: -333.705434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.705434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.042197 (E_RNA)
where:
Base-Base interactions energy: -228.615
where: short stacking energy: -95.889
Base-Backbone interact. energy: 0.360
local terms energy: -106.786441
where:
bonds (distance) C4'-P energy: -21.680
bonds (distance) P-C4' energy: -23.265
flat angles C4'-P-C4' energy: -19.959
flat angles P-C4'-P energy: -15.051
tors. eta vs tors. theta energy: -26.830
Dist. restrs. and SS energy: 1.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -353.813694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.813694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.744035 (E_RNA)
where:
Base-Base interactions energy: -246.209
where: short stacking energy: -98.865
Base-Backbone interact. energy: -1.740
local terms energy: -106.795572
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -22.323
flat angles C4'-P-C4' energy: -23.397
flat angles P-C4'-P energy: -14.990
tors. eta vs tors. theta energy: -30.768
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: 8
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -336.210504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.210504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.631785 (E_RNA)
where:
Base-Base interactions energy: -231.235
where: short stacking energy: -88.648
Base-Backbone interact. energy: -0.618
local terms energy: -104.778475
where:
bonds (distance) C4'-P energy: -17.262
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -22.352
flat angles P-C4'-P energy: -16.634
tors. eta vs tors. theta energy: -27.086
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: 6, replica: 6
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -311.714445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.714445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.052805 (E_RNA)
where:
Base-Base interactions energy: -211.112
where: short stacking energy: -86.730
Base-Backbone interact. energy: 0.434
local terms energy: -101.374289
where:
bonds (distance) C4'-P energy: -21.653
bonds (distance) P-C4' energy: -20.557
flat angles C4'-P-C4' energy: -20.748
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -26.476
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: 7, replica: 7
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -280.985766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.985766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.874612 (E_RNA)
where:
Base-Base interactions energy: -199.979
where: short stacking energy: -84.452
Base-Backbone interact. energy: -0.420
local terms energy: -83.475159
where:
bonds (distance) C4'-P energy: -18.680
bonds (distance) P-C4' energy: -19.373
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -16.002
tors. eta vs tors. theta energy: -15.729
Dist. restrs. and SS energy: 2.889 (S_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: 178
Temperature: 1.250000
Total energy: -291.294679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.294679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.471547 (E_RNA)
where:
Base-Base interactions energy: -206.648
where: short stacking energy: -73.211
Base-Backbone interact. energy: -0.529
local terms energy: -84.294991
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -24.119
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -21.011
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: 9, replica: 3
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -238.670781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.670781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.224840 (E_RNA)
where:
Base-Base interactions energy: -162.968
where: short stacking energy: -64.657
Base-Backbone interact. energy: 0.791
local terms energy: -77.047251
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -23.441
flat angles C4'-P-C4' energy: -19.847
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: -8.599
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: 10, replica: 1
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -232.228070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.228070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.821450 (E_RNA)
where:
Base-Base interactions energy: -155.209
where: short stacking energy: -72.229
Base-Backbone interact. energy: -0.320
local terms energy: -79.292285
where:
bonds (distance) C4'-P energy: -19.221
bonds (distance) P-C4' energy: -22.392
flat angles C4'-P-C4' energy: -17.785
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -10.501
Dist. restrs. and SS energy: 2.593 (S_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: 179
Temperature: 0.900000
Total energy: -373.882010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.882010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.282030 (E_RNA)
where:
Base-Base interactions energy: -250.999
where: short stacking energy: -101.643
Base-Backbone interact. energy: -0.934
local terms energy: -123.348601
where:
bonds (distance) C4'-P energy: -24.868
bonds (distance) P-C4' energy: -24.780
flat angles C4'-P-C4' energy: -22.823
flat angles P-C4'-P energy: -20.673
tors. eta vs tors. theta energy: -30.206
Dist. restrs. and SS energy: 1.400 (S_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: 179
Temperature: 0.950000
Total energy: -358.639821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.639821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.629523 (E_RNA)
where:
Base-Base interactions energy: -250.899
where: short stacking energy: -95.753
Base-Backbone interact. energy: 0.828
local terms energy: -109.558234
where:
bonds (distance) C4'-P energy: -22.993
bonds (distance) P-C4' energy: -24.334
flat angles C4'-P-C4' energy: -22.600
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -26.792
Dist. restrs. and SS energy: 0.990 (S_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: 179
Temperature: 1.000000
Total energy: -354.335346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.335346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.673142 (E_RNA)
where:
Base-Base interactions energy: -246.818
where: short stacking energy: -90.535
Base-Backbone interact. energy: -0.440
local terms energy: -108.415416
where:
bonds (distance) C4'-P energy: -22.357
bonds (distance) P-C4' energy: -24.309
flat angles C4'-P-C4' energy: -20.114
flat angles P-C4'-P energy: -15.438
tors. eta vs tors. theta energy: -26.197
Dist. restrs. and SS energy: 1.338 (S_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: 179
Temperature: 1.050000
Total energy: -343.444065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.444065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.074211 (E_RNA)
where:
Base-Base interactions energy: -235.405
where: short stacking energy: -93.496
Base-Backbone interact. energy: -0.825
local terms energy: -108.843475
where:
bonds (distance) C4'-P energy: -21.485
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -20.493
flat angles P-C4'-P energy: -18.608
tors. eta vs tors. theta energy: -30.239
Dist. restrs. and SS energy: 1.630 (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: 10
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -336.427180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.427180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.511616 (E_RNA)
where:
Base-Base interactions energy: -241.371
where: short stacking energy: -83.653
Base-Backbone interact. energy: -0.725
local terms energy: -96.414774
where:
bonds (distance) C4'-P energy: -20.923
bonds (distance) P-C4' energy: -23.775
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -15.291
tors. eta vs tors. theta energy: -23.524
Dist. restrs. and SS energy: 2.084 (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: 7
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -302.045086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.045086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.836308 (E_RNA)
where:
Base-Base interactions energy: -203.499
where: short stacking energy: -90.360
Base-Backbone interact. energy: -1.096
local terms energy: -99.240801
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -23.875
flat angles C4'-P-C4' energy: -23.373
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -25.943
Dist. restrs. and SS energy: 1.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -287.582463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.582463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.111873 (E_RNA)
where:
Base-Base interactions energy: -193.806
where: short stacking energy: -86.358
Base-Backbone interact. energy: -0.551
local terms energy: -94.755122
where:
bonds (distance) C4'-P energy: -22.135
bonds (distance) P-C4' energy: -19.892
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -14.166
tors. eta vs tors. theta energy: -21.367
Dist. restrs. and SS energy: 1.529 (S_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: 179
Temperature: 1.250000
Total energy: -299.703376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.703376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.788183 (E_RNA)
where:
Base-Base interactions energy: -203.778
where: short stacking energy: -83.281
Base-Backbone interact. energy: -0.200
local terms energy: -95.810390
where:
bonds (distance) C4'-P energy: -8.779
bonds (distance) P-C4' energy: -26.565
flat angles C4'-P-C4' energy: -20.647
flat angles P-C4'-P energy: -15.912
tors. eta vs tors. theta energy: -23.908
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: 3
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -216.373638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.373638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.307784 (E_RNA)
where:
Base-Base interactions energy: -149.030
where: short stacking energy: -63.343
Base-Backbone interact. energy: -0.491
local terms energy: -70.786513
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -13.521
Dist. restrs. and SS energy: 3.934 (S_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: 179
Temperature: 1.350000
Total energy: -212.043378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.043378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.901692 (E_RNA)
where:
Base-Base interactions energy: -138.985
where: short stacking energy: -55.718
Base-Backbone interact. energy: -0.950
local terms energy: -79.966719
where:
bonds (distance) C4'-P energy: -12.565
bonds (distance) P-C4' energy: -26.153
flat angles C4'-P-C4' energy: -18.430
flat angles P-C4'-P energy: -15.142
tors. eta vs tors. theta energy: -7.677
Dist. restrs. and SS energy: 7.858 (S_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: 180
Temperature: 0.900000
Total energy: -371.849178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.849178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.723093 (E_RNA)
where:
Base-Base interactions energy: -261.286
where: short stacking energy: -106.041
Base-Backbone interact. energy: -1.129
local terms energy: -110.307477
where:
bonds (distance) C4'-P energy: -21.681
bonds (distance) P-C4' energy: -16.133
flat angles C4'-P-C4' energy: -22.042
flat angles P-C4'-P energy: -18.794
tors. eta vs tors. theta energy: -31.658
Dist. restrs. and SS energy: 0.874 (S_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: 180
Temperature: 0.950000
Total energy: -363.139246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.139246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.508966 (E_RNA)
where:
Base-Base interactions energy: -249.018
where: short stacking energy: -95.911
Base-Backbone interact. energy: -0.865
local terms energy: -114.626176
where:
bonds (distance) C4'-P energy: -21.555
bonds (distance) P-C4' energy: -25.430
flat angles C4'-P-C4' energy: -17.729
flat angles P-C4'-P energy: -22.915
tors. eta vs tors. theta energy: -26.997
Dist. restrs. and SS energy: 1.370 (S_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: 180
Temperature: 1.000000
Total energy: -340.888444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.888444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.712012 (E_RNA)
where:
Base-Base interactions energy: -245.745
where: short stacking energy: -94.910
Base-Backbone interact. energy: -0.798
local terms energy: -95.169301
where:
bonds (distance) C4'-P energy: -16.538
bonds (distance) P-C4' energy: -20.910
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -15.116
tors. eta vs tors. theta energy: -28.246
Dist. restrs. and SS energy: 0.824 (S_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: 180
Temperature: 1.050000
Total energy: -328.845576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.845576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.927142 (E_RNA)
where:
Base-Base interactions energy: -231.631
where: short stacking energy: -80.125
Base-Backbone interact. energy: -0.738
local terms energy: -96.557764
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -24.389
flat angles C4'-P-C4' energy: -21.004
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -23.699
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: 7
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -321.369828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.369828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.778686 (E_RNA)
where:
Base-Base interactions energy: -220.629
where: short stacking energy: -91.399
Base-Backbone interact. energy: -1.171
local terms energy: -100.979298
where:
bonds (distance) C4'-P energy: -17.804
bonds (distance) P-C4' energy: -22.946
flat angles C4'-P-C4' energy: -20.040
flat angles P-C4'-P energy: -17.572
tors. eta vs tors. theta energy: -22.617
Dist. restrs. and SS energy: 1.409 (S_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: 180
Temperature: 1.150000
Total energy: -325.382158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.382158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.989898 (E_RNA)
where:
Base-Base interactions energy: -214.440
where: short stacking energy: -73.363
Base-Backbone interact. energy: -1.076
local terms energy: -111.473503
where:
bonds (distance) C4'-P energy: -20.995
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -23.474
flat angles P-C4'-P energy: -17.284
tors. eta vs tors. theta energy: -30.042
Dist. restrs. and SS energy: 1.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -299.500116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.500116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.618330 (E_RNA)
where:
Base-Base interactions energy: -205.904
where: short stacking energy: -88.128
Base-Backbone interact. energy: -0.421
local terms energy: -93.293902
where:
bonds (distance) C4'-P energy: -21.373
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -18.261
flat angles P-C4'-P energy: -18.260
tors. eta vs tors. theta energy: -20.386
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: 180
Temperature: 1.250000
Total energy: -314.753485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.753485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.830270 (E_RNA)
where:
Base-Base interactions energy: -214.149
where: short stacking energy: -85.272
Base-Backbone interact. energy: 0.010
local terms energy: -100.691360
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -24.454
flat angles C4'-P-C4' energy: -25.590
flat angles P-C4'-P energy: -14.093
tors. eta vs tors. theta energy: -21.293
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: 9, replica: 1
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -251.246911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.246911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.715255 (E_RNA)
where:
Base-Base interactions energy: -169.115
where: short stacking energy: -80.827
Base-Backbone interact. energy: 0.377
local terms energy: -89.977176
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -23.622
flat angles C4'-P-C4' energy: -21.243
flat angles P-C4'-P energy: -17.591
tors. eta vs tors. theta energy: -10.176
Dist. restrs. and SS energy: 7.468 (S_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: 180
Temperature: 1.350000
Total energy: -209.676246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.676246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.617250 (E_RNA)
where:
Base-Base interactions energy: -132.489
where: short stacking energy: -55.831
Base-Backbone interact. energy: -0.273
local terms energy: -81.854743
where:
bonds (distance) C4'-P energy: -22.306
bonds (distance) P-C4' energy: -21.187
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -12.490
Dist. restrs. and SS energy: 4.941 (S_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: 181
Temperature: 0.900000
Total energy: -378.198889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.198889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.813036 (E_RNA)
where:
Base-Base interactions energy: -262.027
where: short stacking energy: -95.316
Base-Backbone interact. energy: -2.283
local terms energy: -114.503603
where:
bonds (distance) C4'-P energy: -25.782
bonds (distance) P-C4' energy: -22.646
flat angles C4'-P-C4' energy: -24.399
flat angles P-C4'-P energy: -15.392
tors. eta vs tors. theta energy: -26.284
Dist. restrs. and SS energy: 0.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -368.142481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.142481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.889469 (E_RNA)
where:
Base-Base interactions energy: -260.316
where: short stacking energy: -99.482
Base-Backbone interact. energy: -0.799
local terms energy: -107.773933
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -24.256
flat angles C4'-P-C4' energy: -23.367
flat angles P-C4'-P energy: -16.227
tors. eta vs tors. theta energy: -29.847
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: 3, replica: 4
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -354.196404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.196404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.346841 (E_RNA)
where:
Base-Base interactions energy: -241.663
where: short stacking energy: -99.527
Base-Backbone interact. energy: 0.596
local terms energy: -113.280133
where:
bonds (distance) C4'-P energy: -25.297
bonds (distance) P-C4' energy: -24.889
flat angles C4'-P-C4' energy: -21.658
flat angles P-C4'-P energy: -15.812
tors. eta vs tors. theta energy: -25.623
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: 4, replica: 7
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -320.619830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.619830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.996577 (E_RNA)
where:
Base-Base interactions energy: -223.611
where: short stacking energy: -81.888
Base-Backbone interact. energy: -0.452
local terms energy: -96.933030
where:
bonds (distance) C4'-P energy: -17.904
bonds (distance) P-C4' energy: -24.913
flat angles C4'-P-C4' energy: -23.634
flat angles P-C4'-P energy: -5.829
tors. eta vs tors. theta energy: -24.653
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: 5, replica: 8
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -340.838377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.838377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.548009 (E_RNA)
where:
Base-Base interactions energy: -237.588
where: short stacking energy: -89.367
Base-Backbone interact. energy: -0.980
local terms energy: -102.979942
where:
bonds (distance) C4'-P energy: -19.806
bonds (distance) P-C4' energy: -20.053
flat angles C4'-P-C4' energy: -23.133
flat angles P-C4'-P energy: -12.996
tors. eta vs tors. theta energy: -26.992
Dist. restrs. and SS energy: 0.710 (S_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: 181
Temperature: 1.150000
Total energy: -304.888797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.888797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.910580 (E_RNA)
where:
Base-Base interactions energy: -207.287
where: short stacking energy: -84.537
Base-Backbone interact. energy: -0.771
local terms energy: -96.852060
where:
bonds (distance) C4'-P energy: -22.697
bonds (distance) P-C4' energy: -19.387
flat angles C4'-P-C4' energy: -24.313
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -18.792
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: 6
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -273.459667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.459667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.449641 (E_RNA)
where:
Base-Base interactions energy: -175.847
where: short stacking energy: -71.192
Base-Backbone interact. energy: 0.937
local terms energy: -101.539134
where:
bonds (distance) C4'-P energy: -18.493
bonds (distance) P-C4' energy: -24.753
flat angles C4'-P-C4' energy: -23.259
flat angles P-C4'-P energy: -15.494
tors. eta vs tors. theta energy: -19.541
Dist. restrs. and SS energy: 2.990 (S_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: 181
Temperature: 1.250000
Total energy: -277.777182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.777182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.543551 (E_RNA)
where:
Base-Base interactions energy: -204.254
where: short stacking energy: -73.011
Base-Backbone interact. energy: -1.041
local terms energy: -73.248823
where:
bonds (distance) C4'-P energy: -18.594
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: -18.405
Dist. restrs. and SS energy: 0.766 (S_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: 181
Temperature: 1.300000
Total energy: -259.152989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.152989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.477740 (E_RNA)
where:
Base-Base interactions energy: -178.508
where: short stacking energy: -83.976
Base-Backbone interact. energy: -0.602
local terms energy: -86.368375
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -10.768
flat angles C4'-P-C4' energy: -23.390
flat angles P-C4'-P energy: -14.119
tors. eta vs tors. theta energy: -25.090
Dist. restrs. and SS energy: 6.325 (S_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: 181
Temperature: 1.350000
Total energy: -222.149444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.149444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.575786 (E_RNA)
where:
Base-Base interactions energy: -149.136
where: short stacking energy: -63.251
Base-Backbone interact. energy: -0.818
local terms energy: -77.622406
where:
bonds (distance) C4'-P energy: -24.210
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -12.457
Dist. restrs. and SS energy: 5.426 (S_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: 182
Temperature: 0.900000
Total energy: -373.747243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.747243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.421896 (E_RNA)
where:
Base-Base interactions energy: -256.998
where: short stacking energy: -97.790
Base-Backbone interact. energy: -1.380
local terms energy: -116.044501
where:
bonds (distance) C4'-P energy: -22.158
bonds (distance) P-C4' energy: -20.477
flat angles C4'-P-C4' energy: -24.999
flat angles P-C4'-P energy: -19.615
tors. eta vs tors. theta energy: -28.796
Dist. restrs. and SS energy: 0.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -365.426428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.426428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.702543 (E_RNA)
where:
Base-Base interactions energy: -256.015
where: short stacking energy: -99.618
Base-Backbone interact. energy: 1.047
local terms energy: -111.734141
where:
bonds (distance) C4'-P energy: -20.880
bonds (distance) P-C4' energy: -22.701
flat angles C4'-P-C4' energy: -21.035
flat angles P-C4'-P energy: -17.332
tors. eta vs tors. theta energy: -29.786
Dist. restrs. and SS energy: 1.276 (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: 7
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -327.435616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.435616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.317921 (E_RNA)
where:
Base-Base interactions energy: -226.828
where: short stacking energy: -94.667
Base-Backbone interact. energy: -0.274
local terms energy: -102.215187
where:
bonds (distance) C4'-P energy: -23.461
bonds (distance) P-C4' energy: -21.634
flat angles C4'-P-C4' energy: -21.763
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -25.233
Dist. restrs. and SS energy: 1.882 (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: 4
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -339.274211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.274211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.298545 (E_RNA)
where:
Base-Base interactions energy: -232.460
where: short stacking energy: -82.488
Base-Backbone interact. energy: -1.284
local terms energy: -107.554236
where:
bonds (distance) C4'-P energy: -25.224
bonds (distance) P-C4' energy: -26.703
flat angles C4'-P-C4' energy: -20.287
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -27.568
Dist. restrs. and SS energy: 2.024 (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: 8
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -343.197341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.197341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.831257 (E_RNA)
where:
Base-Base interactions energy: -239.454
where: short stacking energy: -91.257
Base-Backbone interact. energy: -1.435
local terms energy: -102.941752
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -22.935
flat angles C4'-P-C4' energy: -25.620
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -25.015
Dist. restrs. and SS energy: 0.634 (S_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: 182
Temperature: 1.150000
Total energy: -315.556113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.556113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.729696 (E_RNA)
where:
Base-Base interactions energy: -227.191
where: short stacking energy: -83.610
Base-Backbone interact. energy: 0.734
local terms energy: -89.271925
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -20.531
flat angles P-C4'-P energy: -14.677
tors. eta vs tors. theta energy: -26.012
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: 7, replica: 6
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -264.613987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.613987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.985272 (E_RNA)
where:
Base-Base interactions energy: -168.343
where: short stacking energy: -73.198
Base-Backbone interact. energy: -0.815
local terms energy: -100.827402
where:
bonds (distance) C4'-P energy: -20.696
bonds (distance) P-C4' energy: -19.264
flat angles C4'-P-C4' energy: -23.628
flat angles P-C4'-P energy: -18.521
tors. eta vs tors. theta energy: -18.719
Dist. restrs. and SS energy: 5.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -244.374787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.374787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.003101 (E_RNA)
where:
Base-Base interactions energy: -173.152
where: short stacking energy: -64.609
Base-Backbone interact. energy: -0.740
local terms energy: -71.111744
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -14.708
flat angles C4'-P-C4' energy: -19.214
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -9.741
Dist. restrs. and SS energy: 0.628 (S_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: 182
Temperature: 1.300000
Total energy: -264.209119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.209119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.146960 (E_RNA)
where:
Base-Base interactions energy: -177.594
where: short stacking energy: -69.407
Base-Backbone interact. energy: -0.657
local terms energy: -87.895400
where:
bonds (distance) C4'-P energy: -23.022
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -18.981
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -19.822
Dist. restrs. and SS energy: 1.938 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -254.608726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.608726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.249109 (E_RNA)
where:
Base-Base interactions energy: -172.025
where: short stacking energy: -64.373
Base-Backbone interact. energy: -0.342
local terms energy: -85.881915
where:
bonds (distance) C4'-P energy: -19.574
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -20.967
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -16.160
Dist. restrs. and SS energy: 3.640 (S_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: 183
Temperature: 0.900000
Total energy: -366.093712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.093712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.385036 (E_RNA)
where:
Base-Base interactions energy: -257.286
where: short stacking energy: -99.111
Base-Backbone interact. energy: 0.860
local terms energy: -110.958787
where:
bonds (distance) C4'-P energy: -21.513
bonds (distance) P-C4' energy: -20.733
flat angles C4'-P-C4' energy: -22.765
flat angles P-C4'-P energy: -18.478
tors. eta vs tors. theta energy: -27.470
Dist. restrs. and SS energy: 1.291 (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: 183
Temperature: 0.950000
Total energy: -363.217219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.217219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.489352 (E_RNA)
where:
Base-Base interactions energy: -248.413
where: short stacking energy: -104.299
Base-Backbone interact. energy: -0.566
local terms energy: -115.510533
where:
bonds (distance) C4'-P energy: -21.257
bonds (distance) P-C4' energy: -27.467
flat angles C4'-P-C4' energy: -22.576
flat angles P-C4'-P energy: -16.066
tors. eta vs tors. theta energy: -28.145
Dist. restrs. and SS energy: 1.272 (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: 7
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -338.598931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.598931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.462473 (E_RNA)
where:
Base-Base interactions energy: -237.273
where: short stacking energy: -90.385
Base-Backbone interact. energy: -0.465
local terms energy: -101.724895
where:
bonds (distance) C4'-P energy: -22.569
bonds (distance) P-C4' energy: -21.866
flat angles C4'-P-C4' energy: -20.203
flat angles P-C4'-P energy: -16.622
tors. eta vs tors. theta energy: -20.466
Dist. restrs. and SS energy: 0.864 (S_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: 183
Temperature: 1.050000
Total energy: -347.936826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.936826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.496510 (E_RNA)
where:
Base-Base interactions energy: -237.252
where: short stacking energy: -96.214
Base-Backbone interact. energy: -0.927
local terms energy: -110.318393
where:
bonds (distance) C4'-P energy: -21.167
bonds (distance) P-C4' energy: -21.416
flat angles C4'-P-C4' energy: -24.697
flat angles P-C4'-P energy: -15.935
tors. eta vs tors. theta energy: -27.103
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: 5, replica: 8
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -337.466489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.466489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.587280 (E_RNA)
where:
Base-Base interactions energy: -238.882
where: short stacking energy: -95.327
Base-Backbone interact. energy: -0.211
local terms energy: -98.494277
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -17.723
flat angles C4'-P-C4' energy: -23.503
flat angles P-C4'-P energy: -13.985
tors. eta vs tors. theta energy: -27.337
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: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -325.821183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.821183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.094448 (E_RNA)
where:
Base-Base interactions energy: -236.452
where: short stacking energy: -82.661
Base-Backbone interact. energy: -0.666
local terms energy: -89.976360
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -17.631
tors. eta vs tors. theta energy: -25.166
Dist. restrs. and SS energy: 1.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -256.585131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.585131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.158889 (E_RNA)
where:
Base-Base interactions energy: -178.358
where: short stacking energy: -70.351
Base-Backbone interact. energy: -0.418
local terms energy: -81.383289
where:
bonds (distance) C4'-P energy: -19.654
bonds (distance) P-C4' energy: -12.611
flat angles C4'-P-C4' energy: -18.305
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: -17.163
Dist. restrs. and SS energy: 3.574 (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: 5
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -238.286231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.286231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.497145 (E_RNA)
where:
Base-Base interactions energy: -153.942
where: short stacking energy: -58.012
Base-Backbone interact. energy: -0.316
local terms energy: -84.239407
where:
bonds (distance) C4'-P energy: -18.918
bonds (distance) P-C4' energy: -23.910
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -13.836
tors. eta vs tors. theta energy: -12.564
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: 9, replica: 1
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -256.067750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.067750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.595251 (E_RNA)
where:
Base-Base interactions energy: -178.400
where: short stacking energy: -70.891
Base-Backbone interact. energy: -0.791
local terms energy: -81.403737
where:
bonds (distance) C4'-P energy: -20.638
bonds (distance) P-C4' energy: -20.334
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -16.411
Dist. restrs. and SS energy: 4.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -264.818846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.818846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.878297 (E_RNA)
where:
Base-Base interactions energy: -180.530
where: short stacking energy: -59.455
Base-Backbone interact. energy: -0.750
local terms energy: -83.597723
where:
bonds (distance) C4'-P energy: -17.832
bonds (distance) P-C4' energy: -19.195
flat angles C4'-P-C4' energy: -20.885
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -15.863
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: 2
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -356.960004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.960004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.628043 (E_RNA)
where:
Base-Base interactions energy: -247.330
where: short stacking energy: -96.803
Base-Backbone interact. energy: -1.150
local terms energy: -110.147920
where:
bonds (distance) C4'-P energy: -17.303
bonds (distance) P-C4' energy: -20.977
flat angles C4'-P-C4' energy: -21.353
flat angles P-C4'-P energy: -20.169
tors. eta vs tors. theta energy: -30.346
Dist. restrs. and SS energy: 1.668 (S_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: 184
Temperature: 0.950000
Total energy: -356.092334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.092334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.356027 (E_RNA)
where:
Base-Base interactions energy: -254.617
where: short stacking energy: -99.191
Base-Backbone interact. energy: -0.186
local terms energy: -102.553930
where:
bonds (distance) C4'-P energy: -23.308
bonds (distance) P-C4' energy: -19.773
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -15.198
tors. eta vs tors. theta energy: -27.568
Dist. restrs. and SS energy: 1.264 (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: 4
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -349.969167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.969167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.941735 (E_RNA)
where:
Base-Base interactions energy: -249.663
where: short stacking energy: -101.372
Base-Backbone interact. energy: -0.641
local terms energy: -101.637285
where:
bonds (distance) C4'-P energy: -16.863
bonds (distance) P-C4' energy: -19.827
flat angles C4'-P-C4' energy: -17.179
flat angles P-C4'-P energy: -20.054
tors. eta vs tors. theta energy: -27.715
Dist. restrs. and SS energy: 1.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -327.823967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.823967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.257513 (E_RNA)
where:
Base-Base interactions energy: -224.836
where: short stacking energy: -95.920
Base-Backbone interact. energy: -0.360
local terms energy: -103.061504
where:
bonds (distance) C4'-P energy: -24.325
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -20.006
flat angles P-C4'-P energy: -18.631
tors. eta vs tors. theta energy: -25.353
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: 5, replica: 8
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -323.915024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.915024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.945124 (E_RNA)
where:
Base-Base interactions energy: -226.155
where: short stacking energy: -80.349
Base-Backbone interact. energy: -0.769
local terms energy: -98.020600
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -20.809
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -17.322
tors. eta vs tors. theta energy: -29.299
Dist. restrs. and SS energy: 1.030 (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: 10
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -351.969970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.969970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.800606 (E_RNA)
where:
Base-Base interactions energy: -248.869
where: short stacking energy: -98.709
Base-Backbone interact. energy: -0.837
local terms energy: -103.094724
where:
bonds (distance) C4'-P energy: -21.084
bonds (distance) P-C4' energy: -21.509
flat angles C4'-P-C4' energy: -21.832
flat angles P-C4'-P energy: -14.197
tors. eta vs tors. theta energy: -24.472
Dist. restrs. and SS energy: 0.831 (S_DIST_RNA)
chem. 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: -255.716595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.716595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.890563 (E_RNA)
where:
Base-Base interactions energy: -171.888
where: short stacking energy: -59.160
Base-Backbone interact. energy: -0.126
local terms energy: -84.876117
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -23.536
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -16.495
tors. eta vs tors. theta energy: -14.966
Dist. restrs. and SS energy: 1.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -242.001362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.001362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.169962 (E_RNA)
where:
Base-Base interactions energy: -166.741
where: short stacking energy: -56.954
Base-Backbone interact. energy: -0.336
local terms energy: -75.092439
where:
bonds (distance) C4'-P energy: -14.916
bonds (distance) P-C4' energy: -18.460
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -14.829
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: 9, replica: 3
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -279.647437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.647437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.186004 (E_RNA)
where:
Base-Base interactions energy: -197.423
where: short stacking energy: -71.592
Base-Backbone interact. energy: -0.474
local terms energy: -82.288723
where:
bonds (distance) C4'-P energy: -17.471
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -19.831
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -21.728
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: 10, replica: 1
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -234.015846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.015846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.190197 (E_RNA)
where:
Base-Base interactions energy: -148.290
where: short stacking energy: -56.866
Base-Backbone interact. energy: -1.464
local terms energy: -86.435887
where:
bonds (distance) C4'-P energy: -21.527
bonds (distance) P-C4' energy: -19.949
flat angles C4'-P-C4' energy: -20.502
flat angles P-C4'-P energy: -16.147
tors. eta vs tors. theta energy: -8.311
Dist. restrs. and SS energy: 2.174 (S_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: 185
Temperature: 0.900000
Total energy: -366.133873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.133873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.205437 (E_RNA)
where:
Base-Base interactions energy: -245.014
where: short stacking energy: -101.457
Base-Backbone interact. energy: -0.627
local terms energy: -121.564481
where:
bonds (distance) C4'-P energy: -21.486
bonds (distance) P-C4' energy: -25.719
flat angles C4'-P-C4' energy: -25.591
flat angles P-C4'-P energy: -18.082
tors. eta vs tors. theta energy: -30.687
Dist. restrs. and SS energy: 1.072 (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: 9
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -355.063890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.063890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.612146 (E_RNA)
where:
Base-Base interactions energy: -247.129
where: short stacking energy: -96.359
Base-Backbone interact. energy: -0.698
local terms energy: -107.784703
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -23.201
flat angles C4'-P-C4' energy: -22.461
flat angles P-C4'-P energy: -16.703
tors. eta vs tors. theta energy: -27.411
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: 3, replica: 4
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -345.579897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.579897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.825040 (E_RNA)
where:
Base-Base interactions energy: -248.619
where: short stacking energy: -96.082
Base-Backbone interact. energy: 1.650
local terms energy: -98.856221
where:
bonds (distance) C4'-P energy: -22.140
bonds (distance) P-C4' energy: -21.903
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -15.421
tors. eta vs tors. theta energy: -25.536
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: 8
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -307.166484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.166484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.394383 (E_RNA)
where:
Base-Base interactions energy: -205.068
where: short stacking energy: -82.054
Base-Backbone interact. energy: -0.496
local terms energy: -101.830265
where:
bonds (distance) C4'-P energy: -21.341
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -28.334
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: 5, replica: 7
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -306.943568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.943568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.106109 (E_RNA)
where:
Base-Base interactions energy: -206.302
where: short stacking energy: -85.097
Base-Backbone interact. energy: -0.367
local terms energy: -101.436898
where:
bonds (distance) C4'-P energy: -25.127
bonds (distance) P-C4' energy: -19.022
flat angles C4'-P-C4' energy: -21.841
flat angles P-C4'-P energy: -15.253
tors. eta vs tors. theta energy: -20.194
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: 6, replica: 10
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -331.009766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.009766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.341275 (E_RNA)
where:
Base-Base interactions energy: -229.420
where: short stacking energy: -93.233
Base-Backbone interact. energy: 0.368
local terms energy: -103.289513
where:
bonds (distance) C4'-P energy: -18.306
bonds (distance) P-C4' energy: -19.720
flat angles C4'-P-C4' energy: -20.282
flat angles P-C4'-P energy: -18.321
tors. eta vs tors. theta energy: -26.661
Dist. restrs. and SS energy: 1.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -262.410023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.410023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.320779 (E_RNA)
where:
Base-Base interactions energy: -170.213
where: short stacking energy: -71.144
Base-Backbone interact. energy: -0.228
local terms energy: -92.880169
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -22.521
flat angles C4'-P-C4' energy: -21.325
flat angles P-C4'-P energy: -15.043
tors. eta vs tors. theta energy: -20.375
Dist. restrs. and SS energy: 0.911 (S_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: 185
Temperature: 1.250000
Total energy: -282.780064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.780064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.181200 (E_RNA)
where:
Base-Base interactions energy: -189.360
where: short stacking energy: -68.682
Base-Backbone interact. energy: -0.119
local terms energy: -93.701781
where:
bonds (distance) C4'-P energy: -20.379
bonds (distance) P-C4' energy: -20.758
flat angles C4'-P-C4' energy: -23.674
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -18.090
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: 9, replica: 5
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -249.228883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.228883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.778496 (E_RNA)
where:
Base-Base interactions energy: -154.765
where: short stacking energy: -60.435
Base-Backbone interact. energy: -0.935
local terms energy: -94.078145
where:
bonds (distance) C4'-P energy: -22.114
bonds (distance) P-C4' energy: -20.680
flat angles C4'-P-C4' energy: -23.685
flat angles P-C4'-P energy: -14.735
tors. eta vs tors. theta energy: -12.865
Dist. restrs. and SS energy: 0.550 (S_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: 185
Temperature: 1.350000
Total energy: -210.952799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.952799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.196744 (E_RNA)
where:
Base-Base interactions energy: -135.271
where: short stacking energy: -59.060
Base-Backbone interact. energy: -0.318
local terms energy: -77.608030
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -22.903
flat angles C4'-P-C4' energy: -20.071
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -7.100
Dist. restrs. and SS energy: 2.244 (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: 2
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -365.674865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.674865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.690799 (E_RNA)
where:
Base-Base interactions energy: -256.883
where: short stacking energy: -95.184
Base-Backbone interact. energy: -0.661
local terms energy: -109.146068
where:
bonds (distance) C4'-P energy: -22.010
bonds (distance) P-C4' energy: -21.760
flat angles C4'-P-C4' energy: -20.181
flat angles P-C4'-P energy: -16.273
tors. eta vs tors. theta energy: -28.923
Dist. restrs. and SS energy: 1.016 (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: 186
Temperature: 0.950000
Total energy: -362.441816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.441816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.516371 (E_RNA)
where:
Base-Base interactions energy: -248.804
where: short stacking energy: -100.400
Base-Backbone interact. energy: -1.681
local terms energy: -113.031755
where:
bonds (distance) C4'-P energy: -23.542
bonds (distance) P-C4' energy: -19.228
flat angles C4'-P-C4' energy: -23.032
flat angles P-C4'-P energy: -14.119
tors. eta vs tors. theta energy: -33.111
Dist. restrs. and SS energy: 1.075 (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: 4
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -364.892084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.892084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.609319 (E_RNA)
where:
Base-Base interactions energy: -255.466
where: short stacking energy: -93.835
Base-Backbone interact. energy: -1.117
local terms energy: -110.027143
where:
bonds (distance) C4'-P energy: -20.007
bonds (distance) P-C4' energy: -24.526
flat angles C4'-P-C4' energy: -24.241
flat angles P-C4'-P energy: -14.534
tors. eta vs tors. theta energy: -26.719
Dist. restrs. and SS energy: 1.717 (S_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: 186
Temperature: 1.050000
Total energy: -312.151670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.151670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.359429 (E_RNA)
where:
Base-Base interactions energy: -211.254
where: short stacking energy: -81.674
Base-Backbone interact. energy: -0.307
local terms energy: -102.797618
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -23.146
flat angles C4'-P-C4' energy: -23.436
flat angles P-C4'-P energy: -14.532
tors. eta vs tors. theta energy: -23.771
Dist. restrs. and SS energy: 2.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -314.553379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.553379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.698743 (E_RNA)
where:
Base-Base interactions energy: -213.192
where: short stacking energy: -89.743
Base-Backbone interact. energy: -1.465
local terms energy: -103.041925
where:
bonds (distance) C4'-P energy: -20.446
bonds (distance) P-C4' energy: -20.193
flat angles C4'-P-C4' energy: -26.955
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -24.413
Dist. restrs. and SS energy: 3.145 (S_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: 186
Temperature: 1.150000
Total energy: -277.432219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.432219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.159003 (E_RNA)
where:
Base-Base interactions energy: -190.827
where: short stacking energy: -80.911
Base-Backbone interact. energy: 0.004
local terms energy: -88.336496
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -22.475
flat angles C4'-P-C4' energy: -19.959
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -21.642
Dist. restrs. and SS energy: 1.727 (S_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: 186
Temperature: 1.200000
Total energy: -294.724990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.724990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.499207 (E_RNA)
where:
Base-Base interactions energy: -197.267
where: short stacking energy: -81.956
Base-Backbone interact. energy: -0.635
local terms energy: -97.597545
where:
bonds (distance) C4'-P energy: -23.133
bonds (distance) P-C4' energy: -22.657
flat angles C4'-P-C4' energy: -20.253
flat angles P-C4'-P energy: -14.565
tors. eta vs tors. theta energy: -16.989
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: 8, replica: 6
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -249.337565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.337565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.879504 (E_RNA)
where:
Base-Base interactions energy: -169.558
where: short stacking energy: -81.254
Base-Backbone interact. energy: -0.361
local terms energy: -84.960435
where:
bonds (distance) C4'-P energy: -18.803
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -23.017
flat angles P-C4'-P energy: -5.692
tors. eta vs tors. theta energy: -17.770
Dist. restrs. and SS energy: 5.542 (S_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: -250.919437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.919437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.407459 (E_RNA)
where:
Base-Base interactions energy: -178.542
where: short stacking energy: -77.427
Base-Backbone interact. energy: -1.360
local terms energy: -71.505096
where:
bonds (distance) C4'-P energy: -10.551
bonds (distance) P-C4' energy: -20.260
flat angles C4'-P-C4' energy: -20.587
flat angles P-C4'-P energy: -5.268
tors. eta vs tors. theta energy: -14.840
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: 10, replica: 1
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -212.282313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.282313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.153853 (E_RNA)
where:
Base-Base interactions energy: -147.463
where: short stacking energy: -56.830
Base-Backbone interact. energy: -0.587
local terms energy: -71.104544
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -24.235
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: -11.662
Dist. restrs. and SS energy: 6.872 (S_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: 187
Temperature: 0.900000
Total energy: -360.485451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.485451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.541425 (E_RNA)
where:
Base-Base interactions energy: -248.046
where: short stacking energy: -90.478
Base-Backbone interact. energy: 0.458
local terms energy: -112.953541
where:
bonds (distance) C4'-P energy: -21.642
bonds (distance) P-C4' energy: -24.620
flat angles C4'-P-C4' energy: -22.600
flat angles P-C4'-P energy: -16.535
tors. eta vs tors. theta energy: -27.557
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: 4
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -360.711452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.711452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.482379 (E_RNA)
where:
Base-Base interactions energy: -246.369
where: short stacking energy: -95.302
Base-Backbone interact. energy: -1.646
local terms energy: -113.467067
where:
bonds (distance) C4'-P energy: -24.777
bonds (distance) P-C4' energy: -23.345
flat angles C4'-P-C4' energy: -24.969
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -29.095
Dist. restrs. and SS energy: 0.771 (S_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: 187
Temperature: 1.000000
Total energy: -347.170477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.170477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.124061 (E_RNA)
where:
Base-Base interactions energy: -239.412
where: short stacking energy: -87.927
Base-Backbone interact. energy: -0.485
local terms energy: -109.227631
where:
bonds (distance) C4'-P energy: -19.093
bonds (distance) P-C4' energy: -26.622
flat angles C4'-P-C4' energy: -21.395
flat angles P-C4'-P energy: -15.791
tors. eta vs tors. theta energy: -26.327
Dist. restrs. and SS energy: 1.954 (S_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: 187
Temperature: 1.050000
Total energy: -340.150266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.150266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.385793 (E_RNA)
where:
Base-Base interactions energy: -226.602
where: short stacking energy: -89.109
Base-Backbone interact. energy: -0.754
local terms energy: -113.030094
where:
bonds (distance) C4'-P energy: -23.827
bonds (distance) P-C4' energy: -22.089
flat angles C4'-P-C4' energy: -23.260
flat angles P-C4'-P energy: -20.412
tors. eta vs tors. theta energy: -23.441
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: 10
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -318.994580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.994580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.673234 (E_RNA)
where:
Base-Base interactions energy: -221.863
where: short stacking energy: -91.475
Base-Backbone interact. energy: -1.234
local terms energy: -97.576116
where:
bonds (distance) C4'-P energy: -17.161
bonds (distance) P-C4' energy: -24.512
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -16.461
tors. eta vs tors. theta energy: -23.443
Dist. restrs. and SS energy: 1.679 (S_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: 187
Temperature: 1.150000
Total energy: -304.384275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.384275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.057581 (E_RNA)
where:
Base-Base interactions energy: -208.910
where: short stacking energy: -80.572
Base-Backbone interact. energy: -0.156
local terms energy: -95.991772
where:
bonds (distance) C4'-P energy: -20.462
bonds (distance) P-C4' energy: -25.842
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -20.633
Dist. restrs. and SS energy: 0.673 (S_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: 187
Temperature: 1.200000
Total energy: -283.824545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.824545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.614424 (E_RNA)
where:
Base-Base interactions energy: -194.244
where: short stacking energy: -78.085
Base-Backbone interact. energy: -0.050
local terms energy: -90.320170
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -21.574
flat angles C4'-P-C4' energy: -21.092
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -20.319
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: 8, replica: 5
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -258.109566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.109566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.266595 (E_RNA)
where:
Base-Base interactions energy: -173.127
where: short stacking energy: -65.373
Base-Backbone interact. energy: -0.614
local terms energy: -84.525240
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -24.379
flat angles C4'-P-C4' energy: -19.132
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: -11.910
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: 9, replica: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -248.504230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.504230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.424359 (E_RNA)
where:
Base-Base interactions energy: -172.079
where: short stacking energy: -63.018
Base-Backbone interact. energy: 0.463
local terms energy: -77.808979
where:
bonds (distance) C4'-P energy: -18.960
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -22.858
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -9.165
Dist. restrs. and SS energy: 0.920 (S_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: 187
Temperature: 1.350000
Total energy: -225.994744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.994744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.601299 (E_RNA)
where:
Base-Base interactions energy: -152.666
where: short stacking energy: -53.724
Base-Backbone interact. energy: -0.693
local terms energy: -74.242587
where:
bonds (distance) C4'-P energy: -18.984
bonds (distance) P-C4' energy: -22.897
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -6.690
Dist. restrs. and SS energy: 1.607 (S_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: -382.750345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.750345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.398449 (E_RNA)
where:
Base-Base interactions energy: -260.895
where: short stacking energy: -94.870
Base-Backbone interact. energy: -1.252
local terms energy: -121.251004
where:
bonds (distance) C4'-P energy: -23.964
bonds (distance) P-C4' energy: -21.923
flat angles C4'-P-C4' energy: -24.500
flat angles P-C4'-P energy: -20.039
tors. eta vs tors. theta energy: -30.825
Dist. restrs. and SS energy: 0.648 (S_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: -356.113788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.113788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.462016 (E_RNA)
where:
Base-Base interactions energy: -244.629
where: short stacking energy: -91.442
Base-Backbone interact. energy: -1.023
local terms energy: -110.809260
where:
bonds (distance) C4'-P energy: -22.058
bonds (distance) P-C4' energy: -25.095
flat angles C4'-P-C4' energy: -25.744
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -24.403
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: 3, replica: 9
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -343.363540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.363540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.532553 (E_RNA)
where:
Base-Base interactions energy: -240.323
where: short stacking energy: -93.749
Base-Backbone interact. energy: -0.536
local terms energy: -103.673457
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -23.040
flat angles C4'-P-C4' energy: -22.094
flat angles P-C4'-P energy: -14.056
tors. eta vs tors. theta energy: -29.117
Dist. restrs. and SS energy: 1.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -320.305955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.305955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.152877 (E_RNA)
where:
Base-Base interactions energy: -221.278
where: short stacking energy: -82.974
Base-Backbone interact. energy: -0.371
local terms energy: -100.504242
where:
bonds (distance) C4'-P energy: -22.376
bonds (distance) P-C4' energy: -20.244
flat angles C4'-P-C4' energy: -18.532
flat angles P-C4'-P energy: -16.729
tors. eta vs tors. theta energy: -22.623
Dist. restrs. and SS energy: 1.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -329.787081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.787081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.497116 (E_RNA)
where:
Base-Base interactions energy: -224.490
where: short stacking energy: -94.385
Base-Backbone interact. energy: -1.751
local terms energy: -106.255571
where:
bonds (distance) C4'-P energy: -25.763
bonds (distance) P-C4' energy: -25.061
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -26.140
Dist. restrs. and SS energy: 2.710 (S_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: 188
Temperature: 1.150000
Total energy: -305.002681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.002681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.728942 (E_RNA)
where:
Base-Base interactions energy: -201.963
where: short stacking energy: -79.324
Base-Backbone interact. energy: -1.468
local terms energy: -102.297909
where:
bonds (distance) C4'-P energy: -23.407
bonds (distance) P-C4' energy: -19.251
flat angles C4'-P-C4' energy: -20.859
flat angles P-C4'-P energy: -17.648
tors. eta vs tors. theta energy: -21.133
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: 5
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -265.124656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.124656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.289193 (E_RNA)
where:
Base-Base interactions energy: -173.495
where: short stacking energy: -78.396
Base-Backbone interact. energy: -0.996
local terms energy: -90.798822
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -22.218
flat angles C4'-P-C4' energy: -25.287
flat angles P-C4'-P energy: -14.163
tors. eta vs tors. theta energy: -11.306
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: 8, replica: 3
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -260.910172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.910172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.372843 (E_RNA)
where:
Base-Base interactions energy: -176.072
where: short stacking energy: -67.015
Base-Backbone interact. energy: -0.231
local terms energy: -88.069518
where:
bonds (distance) C4'-P energy: -17.608
bonds (distance) P-C4' energy: -17.127
flat angles C4'-P-C4' energy: -22.182
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: -16.961
Dist. restrs. and SS energy: 3.463 (S_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: 188
Temperature: 1.300000
Total energy: -262.677122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.677122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.227993 (E_RNA)
where:
Base-Base interactions energy: -171.330
where: short stacking energy: -63.384
Base-Backbone interact. energy: -0.166
local terms energy: -94.732027
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -23.643
flat angles C4'-P-C4' energy: -22.815
flat angles P-C4'-P energy: -14.706
tors. eta vs tors. theta energy: -15.344
Dist. restrs. and SS energy: 3.551 (S_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: 188
Temperature: 1.350000
Total energy: -250.870318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.870318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.102231 (E_RNA)
where:
Base-Base interactions energy: -165.439
where: short stacking energy: -63.840
Base-Backbone interact. energy: -0.672
local terms energy: -86.991701
where:
bonds (distance) C4'-P energy: -17.796
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -19.298
flat angles P-C4'-P energy: -14.195
tors. eta vs tors. theta energy: -16.876
Dist. restrs. and SS energy: 2.232 (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: 4
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -372.939270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.939270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.355847 (E_RNA)
where:
Base-Base interactions energy: -256.373
where: short stacking energy: -109.131
Base-Backbone interact. energy: -3.217
local terms energy: -114.765262
where:
bonds (distance) C4'-P energy: -19.551
bonds (distance) P-C4' energy: -23.705
flat angles C4'-P-C4' energy: -23.704
flat angles P-C4'-P energy: -16.775
tors. eta vs tors. theta energy: -31.030
Dist. restrs. and SS energy: 1.417 (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: 2
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -365.146839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.146839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.412982 (E_RNA)
where:
Base-Base interactions energy: -260.078
where: short stacking energy: -97.543
Base-Backbone interact. energy: -0.531
local terms energy: -104.804693
where:
bonds (distance) C4'-P energy: -22.277
bonds (distance) P-C4' energy: -21.194
flat angles C4'-P-C4' energy: -25.451
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -23.018
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: 9
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -351.382789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.382789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.342913 (E_RNA)
where:
Base-Base interactions energy: -241.649
where: short stacking energy: -94.961
Base-Backbone interact. energy: 0.426
local terms energy: -111.120061
where:
bonds (distance) C4'-P energy: -22.637
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -23.792
flat angles P-C4'-P energy: -16.994
tors. eta vs tors. theta energy: -28.681
Dist. restrs. and SS energy: 0.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -347.520993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.520993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.459575 (E_RNA)
where:
Base-Base interactions energy: -241.265
where: short stacking energy: -99.790
Base-Backbone interact. energy: -0.713
local terms energy: -107.481668
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -22.409
flat angles C4'-P-C4' energy: -21.681
flat angles P-C4'-P energy: -15.951
tors. eta vs tors. theta energy: -32.164
Dist. restrs. and SS energy: 1.939 (S_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: 189
Temperature: 1.100000
Total energy: -327.477449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.477449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.583202 (E_RNA)
where:
Base-Base interactions energy: -222.738
where: short stacking energy: -97.465
Base-Backbone interact. energy: 2.749
local terms energy: -107.594859
where:
bonds (distance) C4'-P energy: -22.707
bonds (distance) P-C4' energy: -18.592
flat angles C4'-P-C4' energy: -20.804
flat angles P-C4'-P energy: -15.805
tors. eta vs tors. theta energy: -29.687
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: 7
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -297.152550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.152550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.467290 (E_RNA)
where:
Base-Base interactions energy: -199.062
where: short stacking energy: -84.132
Base-Backbone interact. energy: -1.352
local terms energy: -98.053610
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -23.274
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: -22.188
Dist. restrs. and SS energy: 1.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -229.846890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.846890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.245606 (E_RNA)
where:
Base-Base interactions energy: -151.044
where: short stacking energy: -68.583
Base-Backbone interact. energy: -0.795
local terms energy: -85.407418
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -20.664
flat angles C4'-P-C4' energy: -22.182
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -15.198
Dist. restrs. and SS energy: 7.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -296.896724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.896724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.160598 (E_RNA)
where:
Base-Base interactions energy: -200.984
where: short stacking energy: -71.806
Base-Backbone interact. energy: 0.106
local terms energy: -97.282917
where:
bonds (distance) C4'-P energy: -22.024
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -20.896
flat angles P-C4'-P energy: -14.175
tors. eta vs tors. theta energy: -21.145
Dist. restrs. and SS energy: 1.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -262.447910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.447910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.853758 (E_RNA)
where:
Base-Base interactions energy: -176.747
where: short stacking energy: -64.196
Base-Backbone interact. energy: -0.659
local terms energy: -85.447683
where:
bonds (distance) C4'-P energy: -16.451
bonds (distance) P-C4' energy: -23.039
flat angles C4'-P-C4' energy: -21.855
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -15.367
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: 10, replica: 1
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -214.462244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.462244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.220666 (E_RNA)
where:
Base-Base interactions energy: -141.563
where: short stacking energy: -63.187
Base-Backbone interact. energy: -0.558
local terms energy: -73.099615
where:
bonds (distance) C4'-P energy: -22.069
bonds (distance) P-C4' energy: -20.005
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -4.696
tors. eta vs tors. theta energy: -10.974
Dist. restrs. and SS energy: 0.758 (S_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: -370.733815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.733815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.244672 (E_RNA)
where:
Base-Base interactions energy: -251.120
where: short stacking energy: -95.611
Base-Backbone interact. energy: -0.887
local terms energy: -119.237459
where:
bonds (distance) C4'-P energy: -23.602
bonds (distance) P-C4' energy: -26.967
flat angles C4'-P-C4' energy: -21.216
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -33.481
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: 2, replica: 2
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -364.339139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.339139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.659013 (E_RNA)
where:
Base-Base interactions energy: -262.397
where: short stacking energy: -96.639
Base-Backbone interact. energy: -1.308
local terms energy: -101.953777
where:
bonds (distance) C4'-P energy: -17.481
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -20.666
flat angles P-C4'-P energy: -13.903
tors. eta vs tors. theta energy: -29.064
Dist. restrs. and SS energy: 1.320 (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: 9
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -355.800071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.800071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.441954 (E_RNA)
where:
Base-Base interactions energy: -249.459
where: short stacking energy: -103.287
Base-Backbone interact. energy: -0.387
local terms energy: -106.595920
where:
bonds (distance) C4'-P energy: -19.361
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -24.475
flat angles P-C4'-P energy: -14.840
tors. eta vs tors. theta energy: -31.548
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: 4, replica: 10
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -334.345513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.345513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.336987 (E_RNA)
where:
Base-Base interactions energy: -234.531
where: short stacking energy: -82.042
Base-Backbone interact. energy: -1.034
local terms energy: -99.772046
where:
bonds (distance) C4'-P energy: -21.405
bonds (distance) P-C4' energy: -18.754
flat angles C4'-P-C4' energy: -21.131
flat angles P-C4'-P energy: -16.170
tors. eta vs tors. theta energy: -22.312
Dist. restrs. and SS energy: 0.991 (S_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: 190
Temperature: 1.100000
Total energy: -311.652254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.652254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.770677 (E_RNA)
where:
Base-Base interactions energy: -203.170
where: short stacking energy: -94.484
Base-Backbone interact. energy: -0.118
local terms energy: -110.481845
where:
bonds (distance) C4'-P energy: -19.456
bonds (distance) P-C4' energy: -27.331
flat angles C4'-P-C4' energy: -21.576
flat angles P-C4'-P energy: -17.016
tors. eta vs tors. theta energy: -25.103
Dist. restrs. and SS energy: 2.118 (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: 8
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -309.864470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.864470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.456892 (E_RNA)
where:
Base-Base interactions energy: -209.293
where: short stacking energy: -70.717
Base-Backbone interact. energy: -0.454
local terms energy: -100.710335
where:
bonds (distance) C4'-P energy: -18.667
bonds (distance) P-C4' energy: -20.800
flat angles C4'-P-C4' energy: -23.673
flat angles P-C4'-P energy: -15.396
tors. eta vs tors. theta energy: -22.174
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: 6
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -286.487628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.487628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.719098 (E_RNA)
where:
Base-Base interactions energy: -186.576
where: short stacking energy: -75.583
Base-Backbone interact. energy: -0.104
local terms energy: -102.038947
where:
bonds (distance) C4'-P energy: -19.565
bonds (distance) P-C4' energy: -24.935
flat angles C4'-P-C4' energy: -21.267
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -23.212
Dist. restrs. and SS energy: 2.231 (S_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: 190
Temperature: 1.250000
Total energy: -242.834531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.834531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.569246 (E_RNA)
where:
Base-Base interactions energy: -157.833
where: short stacking energy: -73.490
Base-Backbone interact. energy: -1.294
local terms energy: -84.442672
where:
bonds (distance) C4'-P energy: -19.015
bonds (distance) P-C4' energy: -18.515
flat angles C4'-P-C4' energy: -17.010
flat angles P-C4'-P energy: -14.506
tors. eta vs tors. theta energy: -15.397
Dist. restrs. and SS energy: 0.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -251.861300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.861300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.197363 (E_RNA)
where:
Base-Base interactions energy: -175.409
where: short stacking energy: -61.445
Base-Backbone interact. energy: 0.749
local terms energy: -78.537491
where:
bonds (distance) C4'-P energy: -22.417
bonds (distance) P-C4' energy: -19.770
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -6.566
tors. eta vs tors. theta energy: -12.859
Dist. restrs. and SS energy: 1.336 (S_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: 190
Temperature: 1.350000
Total energy: -248.402377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.402377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.063262 (E_RNA)
where:
Base-Base interactions energy: -155.981
where: short stacking energy: -69.710
Base-Backbone interact. energy: -0.475
local terms energy: -96.607432
where:
bonds (distance) C4'-P energy: -20.389
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -23.353
flat angles P-C4'-P energy: -17.745
tors. eta vs tors. theta energy: -17.477
Dist. restrs. and SS energy: 4.661 (S_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: -369.812460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.812460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.844081 (E_RNA)
where:
Base-Base interactions energy: -254.829
where: short stacking energy: -101.069
Base-Backbone interact. energy: -1.486
local terms energy: -114.529767
where:
bonds (distance) C4'-P energy: -22.926
bonds (distance) P-C4' energy: -19.797
flat angles C4'-P-C4' energy: -23.164
flat angles P-C4'-P energy: -17.986
tors. eta vs tors. theta energy: -30.656
Dist. restrs. and SS energy: 1.032 (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: 9
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -361.418171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.418171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.819404 (E_RNA)
where:
Base-Base interactions energy: -249.604
where: short stacking energy: -94.654
Base-Backbone interact. energy: -0.427
local terms energy: -111.788034
where:
bonds (distance) C4'-P energy: -21.174
bonds (distance) P-C4' energy: -22.997
flat angles C4'-P-C4' energy: -25.533
flat angles P-C4'-P energy: -15.894
tors. eta vs tors. theta energy: -26.190
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: 3, replica: 2
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -347.378990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.378990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.813922 (E_RNA)
where:
Base-Base interactions energy: -246.250
where: short stacking energy: -96.304
Base-Backbone interact. energy: -0.586
local terms energy: -101.978010
where:
bonds (distance) C4'-P energy: -21.505
bonds (distance) P-C4' energy: -21.455
flat angles C4'-P-C4' energy: -21.856
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -25.528
Dist. restrs. and SS energy: 1.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -340.718815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.718815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.010694 (E_RNA)
where:
Base-Base interactions energy: -242.832
where: short stacking energy: -95.606
Base-Backbone interact. energy: 0.085
local terms energy: -98.263385
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -21.337
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -28.293
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: 5, replica: 7
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -328.390946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.390946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.643607 (E_RNA)
where:
Base-Base interactions energy: -221.674
where: short stacking energy: -90.893
Base-Backbone interact. energy: -0.906
local terms energy: -107.063343
where:
bonds (distance) C4'-P energy: -20.218
bonds (distance) P-C4' energy: -22.711
flat angles C4'-P-C4' energy: -22.629
flat angles P-C4'-P energy: -15.988
tors. eta vs tors. theta energy: -25.518
Dist. restrs. and SS energy: 1.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -300.314951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.314951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.902194 (E_RNA)
where:
Base-Base interactions energy: -208.607
where: short stacking energy: -82.322
Base-Backbone interact. energy: 0.864
local terms energy: -93.159123
where:
bonds (distance) C4'-P energy: -21.905
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -21.802
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -17.736
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: 7, replica: 8
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -312.616946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.616946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.414224 (E_RNA)
where:
Base-Base interactions energy: -209.407
where: short stacking energy: -82.088
Base-Backbone interact. energy: -0.505
local terms energy: -103.502359
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -24.355
flat angles C4'-P-C4' energy: -25.161
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -25.716
Dist. restrs. and SS energy: 0.797 (S_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: 191
Temperature: 1.250000
Total energy: -262.560367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.560367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.206357 (E_RNA)
where:
Base-Base interactions energy: -181.976
where: short stacking energy: -68.187
Base-Backbone interact. energy: -0.634
local terms energy: -83.596858
where:
bonds (distance) C4'-P energy: -16.948
bonds (distance) P-C4' energy: -15.919
flat angles C4'-P-C4' energy: -21.612
flat angles P-C4'-P energy: -16.931
tors. eta vs tors. theta energy: -12.187
Dist. restrs. and SS energy: 3.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -265.204174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.204174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.700939 (E_RNA)
where:
Base-Base interactions energy: -179.431
where: short stacking energy: -78.921
Base-Backbone interact. energy: -0.734
local terms energy: -88.535355
where:
bonds (distance) C4'-P energy: -19.903
bonds (distance) P-C4' energy: -21.514
flat angles C4'-P-C4' energy: -19.661
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -19.218
Dist. restrs. and SS energy: 3.497 (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: 1
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -230.161699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.161699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.991097 (E_RNA)
where:
Base-Base interactions energy: -156.605
where: short stacking energy: -58.218
Base-Backbone interact. energy: 1.785
local terms energy: -78.171090
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -22.183
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -13.201
Dist. restrs. and SS energy: 2.829 (S_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: 192
Temperature: 0.900000
Total energy: -365.155724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.155724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.171388 (E_RNA)
where:
Base-Base interactions energy: -254.181
where: short stacking energy: -103.161
Base-Backbone interact. energy: -0.269
local terms energy: -111.721272
where:
bonds (distance) C4'-P energy: -20.599
bonds (distance) P-C4' energy: -24.158
flat angles C4'-P-C4' energy: -22.403
flat angles P-C4'-P energy: -17.360
tors. eta vs tors. theta energy: -27.201
Dist. restrs. and SS energy: 1.016 (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: 4
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -351.375667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.375667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.929360 (E_RNA)
where:
Base-Base interactions energy: -248.239
where: short stacking energy: -94.658
Base-Backbone interact. energy: -0.315
local terms energy: -103.374892
where:
bonds (distance) C4'-P energy: -17.818
bonds (distance) P-C4' energy: -23.861
flat angles C4'-P-C4' energy: -22.074
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: -25.248
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: 10
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -356.851780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.851780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.550477 (E_RNA)
where:
Base-Base interactions energy: -251.971
where: short stacking energy: -103.668
Base-Backbone interact. energy: -0.967
local terms energy: -105.612359
where:
bonds (distance) C4'-P energy: -21.461
bonds (distance) P-C4' energy: -19.509
flat angles C4'-P-C4' energy: -22.155
flat angles P-C4'-P energy: -14.809
tors. eta vs tors. theta energy: -27.678
Dist. restrs. and SS energy: 1.699 (S_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: 192
Temperature: 1.050000
Total energy: -346.326912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.326912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.384749 (E_RNA)
where:
Base-Base interactions energy: -253.011
where: short stacking energy: -99.741
Base-Backbone interact. energy: -1.074
local terms energy: -93.300666
where:
bonds (distance) C4'-P energy: -18.331
bonds (distance) P-C4' energy: -12.196
flat angles C4'-P-C4' energy: -24.912
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -25.047
Dist. restrs. and SS energy: 1.058 (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: 7
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -318.672184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.672184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.210224 (E_RNA)
where:
Base-Base interactions energy: -216.377
where: short stacking energy: -95.217
Base-Backbone interact. energy: -0.772
local terms energy: -103.061510
where:
bonds (distance) C4'-P energy: -18.694
bonds (distance) P-C4' energy: -22.060
flat angles C4'-P-C4' energy: -23.183
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -24.768
Dist. restrs. and SS energy: 1.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -314.826468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.826468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.111807 (E_RNA)
where:
Base-Base interactions energy: -214.544
where: short stacking energy: -87.370
Base-Backbone interact. energy: -0.210
local terms energy: -104.357540
where:
bonds (distance) C4'-P energy: -18.708
bonds (distance) P-C4' energy: -20.745
flat angles C4'-P-C4' energy: -20.976
flat angles P-C4'-P energy: -15.516
tors. eta vs tors. theta energy: -28.412
Dist. restrs. and SS energy: 4.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -301.837448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.837448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.298059 (E_RNA)
where:
Base-Base interactions energy: -214.684
where: short stacking energy: -88.192
Base-Backbone interact. energy: -1.208
local terms energy: -89.406108
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -19.436
flat angles C4'-P-C4' energy: -20.433
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -20.707
Dist. restrs. and SS energy: 3.461 (S_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: 192
Temperature: 1.250000
Total energy: -242.030114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.030114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.594877 (E_RNA)
where:
Base-Base interactions energy: -162.768
where: short stacking energy: -59.571
Base-Backbone interact. energy: -0.156
local terms energy: -80.670153
where:
bonds (distance) C4'-P energy: -20.115
bonds (distance) P-C4' energy: -20.879
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -13.599
tors. eta vs tors. theta energy: -8.512
Dist. restrs. and SS energy: 1.565 (S_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: 192
Temperature: 1.300000
Total energy: -251.255485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.255485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.960691 (E_RNA)
where:
Base-Base interactions energy: -171.748
where: short stacking energy: -75.692
Base-Backbone interact. energy: -0.457
local terms energy: -80.755571
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -18.478
flat angles C4'-P-C4' energy: -19.003
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -14.996
Dist. restrs. and SS energy: 1.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -217.965459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.965459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.222878 (E_RNA)
where:
Base-Base interactions energy: -141.643
where: short stacking energy: -64.132
Base-Backbone interact. energy: -0.320
local terms energy: -79.259809
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -19.531
flat angles P-C4'-P energy: -6.330
tors. eta vs tors. theta energy: -17.903
Dist. restrs. and SS energy: 3.257 (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: 9
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -361.378008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.378008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.596396 (E_RNA)
where:
Base-Base interactions energy: -257.116
where: short stacking energy: -104.677
Base-Backbone interact. energy: -0.550
local terms energy: -104.930608
where:
bonds (distance) C4'-P energy: -19.814
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -23.456
flat angles P-C4'-P energy: -15.415
tors. eta vs tors. theta energy: -29.434
Dist. restrs. and SS energy: 1.218 (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: 10
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -362.176173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.176173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.701123 (E_RNA)
where:
Base-Base interactions energy: -257.689
where: short stacking energy: -95.171
Base-Backbone interact. energy: -0.343
local terms energy: -104.668988
where:
bonds (distance) C4'-P energy: -20.338
bonds (distance) P-C4' energy: -21.676
flat angles C4'-P-C4' energy: -24.421
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -28.059
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: 193
Temperature: 1.000000
Total energy: -352.091248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.091248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.506414 (E_RNA)
where:
Base-Base interactions energy: -245.492
where: short stacking energy: -81.955
Base-Backbone interact. energy: -0.978
local terms energy: -106.036099
where:
bonds (distance) C4'-P energy: -19.378
bonds (distance) P-C4' energy: -20.744
flat angles C4'-P-C4' energy: -22.060
flat angles P-C4'-P energy: -14.422
tors. eta vs tors. theta energy: -29.432
Dist. restrs. and SS energy: 0.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -310.099506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.099506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.858387 (E_RNA)
where:
Base-Base interactions energy: -213.194
where: short stacking energy: -79.324
Base-Backbone interact. energy: -0.861
local terms energy: -97.803443
where:
bonds (distance) C4'-P energy: -19.166
bonds (distance) P-C4' energy: -21.902
flat angles C4'-P-C4' energy: -20.725
flat angles P-C4'-P energy: -16.368
tors. eta vs tors. theta energy: -19.643
Dist. restrs. and SS energy: 1.759 (S_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: 193
Temperature: 1.100000
Total energy: -334.813599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.813599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.849279 (E_RNA)
where:
Base-Base interactions energy: -236.809
where: short stacking energy: -93.070
Base-Backbone interact. energy: 1.875
local terms energy: -100.914863
where:
bonds (distance) C4'-P energy: -19.880
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -22.394
flat angles P-C4'-P energy: -17.508
tors. eta vs tors. theta energy: -23.941
Dist. restrs. and SS energy: 1.036 (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: 193
Temperature: 1.150000
Total energy: -338.413617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.413617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.924215 (E_RNA)
where:
Base-Base interactions energy: -243.091
where: short stacking energy: -92.278
Base-Backbone interact. energy: -1.063
local terms energy: -95.769776
where:
bonds (distance) C4'-P energy: -19.459
bonds (distance) P-C4' energy: -21.323
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -25.570
Dist. restrs. and SS energy: 1.511 (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: 6
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -251.859684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.859684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.352150 (E_RNA)
where:
Base-Base interactions energy: -166.605
where: short stacking energy: -61.426
Base-Backbone interact. energy: -0.546
local terms energy: -86.201024
where:
bonds (distance) C4'-P energy: -18.536
bonds (distance) P-C4' energy: -19.617
flat angles C4'-P-C4' energy: -18.051
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -20.774
Dist. restrs. and SS energy: 1.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -246.771197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.771197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.593321 (E_RNA)
where:
Base-Base interactions energy: -161.581
where: short stacking energy: -73.412
Base-Backbone interact. energy: -0.444
local terms energy: -88.568691
where:
bonds (distance) C4'-P energy: -20.488
bonds (distance) P-C4' energy: -18.506
flat angles C4'-P-C4' energy: -20.348
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -16.685
Dist. restrs. and SS energy: 3.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -252.934193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.934193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.650467 (E_RNA)
where:
Base-Base interactions energy: -174.071
where: short stacking energy: -70.242
Base-Backbone interact. energy: -0.325
local terms energy: -82.254710
where:
bonds (distance) C4'-P energy: -17.667
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -24.983
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -14.334
Dist. restrs. and SS energy: 3.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -270.045088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.045088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.388202 (E_RNA)
where:
Base-Base interactions energy: -182.518
where: short stacking energy: -66.995
Base-Backbone interact. energy: -0.692
local terms energy: -87.177907
where:
bonds (distance) C4'-P energy: -19.748
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -22.992
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -15.989
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: 10
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -371.404001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.404001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.841432 (E_RNA)
where:
Base-Base interactions energy: -266.096
where: short stacking energy: -100.660
Base-Backbone interact. energy: -2.129
local terms energy: -105.616445
where:
bonds (distance) C4'-P energy: -19.238
bonds (distance) P-C4' energy: -24.356
flat angles C4'-P-C4' energy: -21.989
flat angles P-C4'-P energy: -15.501
tors. eta vs tors. theta energy: -24.533
Dist. restrs. and SS energy: 2.437 (S_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: 194
Temperature: 0.950000
Total energy: -348.260786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.260786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.064072 (E_RNA)
where:
Base-Base interactions energy: -245.484
where: short stacking energy: -84.567
Base-Backbone interact. energy: -1.640
local terms energy: -101.939804
where:
bonds (distance) C4'-P energy: -21.396
bonds (distance) P-C4' energy: -24.400
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -16.364
tors. eta vs tors. theta energy: -22.584
Dist. restrs. and SS energy: 0.803 (S_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: 194
Temperature: 1.000000
Total energy: -362.871233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.871233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.216363 (E_RNA)
where:
Base-Base interactions energy: -248.395
where: short stacking energy: -97.496
Base-Backbone interact. energy: -2.000
local terms energy: -113.821727
where:
bonds (distance) C4'-P energy: -21.639
bonds (distance) P-C4' energy: -23.286
flat angles C4'-P-C4' energy: -22.845
flat angles P-C4'-P energy: -14.461
tors. eta vs tors. theta energy: -31.590
Dist. restrs. and SS energy: 1.345 (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: 7
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -319.671297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.671297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.524647 (E_RNA)
where:
Base-Base interactions energy: -224.593
where: short stacking energy: -92.094
Base-Backbone interact. energy: -0.373
local terms energy: -95.558450
where:
bonds (distance) C4'-P energy: -18.713
bonds (distance) P-C4' energy: -23.055
flat angles C4'-P-C4' energy: -21.131
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -20.081
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: 5, replica: 8
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -331.661970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.661970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.976565 (E_RNA)
where:
Base-Base interactions energy: -231.615
where: short stacking energy: -89.517
Base-Backbone interact. energy: -0.772
local terms energy: -100.589515
where:
bonds (distance) C4'-P energy: -21.316
bonds (distance) P-C4' energy: -22.500
flat angles C4'-P-C4' energy: -23.265
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -22.713
Dist. restrs. and SS energy: 1.315 (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: 2
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -315.795629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.795629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.174349 (E_RNA)
where:
Base-Base interactions energy: -226.734
where: short stacking energy: -82.683
Base-Backbone interact. energy: -1.195
local terms energy: -89.245551
where:
bonds (distance) C4'-P energy: -18.881
bonds (distance) P-C4' energy: -20.283
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -21.569
Dist. restrs. and SS energy: 1.379 (S_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: 194
Temperature: 1.200000
Total energy: -254.476467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.476467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.218823 (E_RNA)
where:
Base-Base interactions energy: -167.842
where: short stacking energy: -68.481
Base-Backbone interact. energy: -0.644
local terms energy: -87.733189
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -26.014
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -17.804
Dist. restrs. and SS energy: 1.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -252.697749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.697749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.643410 (E_RNA)
where:
Base-Base interactions energy: -179.468
where: short stacking energy: -71.811
Base-Backbone interact. energy: -0.193
local terms energy: -75.982039
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -20.532
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -11.820
Dist. restrs. and SS energy: 2.946 (S_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: 194
Temperature: 1.300000
Total energy: -243.278397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.278397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.013576 (E_RNA)
where:
Base-Base interactions energy: -162.667
where: short stacking energy: -60.849
Base-Backbone interact. energy: -0.824
local terms energy: -81.522790
where:
bonds (distance) C4'-P energy: -18.492
bonds (distance) P-C4' energy: -20.498
flat angles C4'-P-C4' energy: -22.800
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -9.388
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: 10, replica: 3
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -241.087272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.087272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.612788 (E_RNA)
where:
Base-Base interactions energy: -171.157
where: short stacking energy: -58.178
Base-Backbone interact. energy: -1.672
local terms energy: -74.784080
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -20.998
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: -11.814
Dist. restrs. and SS energy: 6.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -356.156428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.156428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.238349 (E_RNA)
where:
Base-Base interactions energy: -246.184
where: short stacking energy: -96.549
Base-Backbone interact. energy: -0.465
local terms energy: -110.588696
where:
bonds (distance) C4'-P energy: -22.782
bonds (distance) P-C4' energy: -23.105
flat angles C4'-P-C4' energy: -21.240
flat angles P-C4'-P energy: -18.975
tors. eta vs tors. theta energy: -24.486
Dist. restrs. and SS energy: 1.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -364.154893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.154893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.416564 (E_RNA)
where:
Base-Base interactions energy: -250.880
where: short stacking energy: -103.861
Base-Backbone interact. energy: 2.235
local terms energy: -116.771487
where:
bonds (distance) C4'-P energy: -20.913
bonds (distance) P-C4' energy: -24.309
flat angles C4'-P-C4' energy: -26.737
flat angles P-C4'-P energy: -16.201
tors. eta vs tors. theta energy: -28.611
Dist. restrs. and SS energy: 1.262 (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: 9
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -351.534996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.534996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.747062 (E_RNA)
where:
Base-Base interactions energy: -241.262
where: short stacking energy: -98.875
Base-Backbone interact. energy: -0.802
local terms energy: -109.682978
where:
bonds (distance) C4'-P energy: -21.946
bonds (distance) P-C4' energy: -22.559
flat angles C4'-P-C4' energy: -20.794
flat angles P-C4'-P energy: -15.814
tors. eta vs tors. theta energy: -28.571
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: 4, replica: 8
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -344.280675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.280675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.498284 (E_RNA)
where:
Base-Base interactions energy: -244.681
where: short stacking energy: -92.893
Base-Backbone interact. energy: -0.550
local terms energy: -100.267456
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -21.407
flat angles C4'-P-C4' energy: -20.826
flat angles P-C4'-P energy: -14.412
tors. eta vs tors. theta energy: -29.652
Dist. restrs. and SS energy: 1.218 (S_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: 195
Temperature: 1.100000
Total energy: -332.769198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.769198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.812765 (E_RNA)
where:
Base-Base interactions energy: -237.540
where: short stacking energy: -95.301
Base-Backbone interact. energy: -1.047
local terms energy: -95.226328
where:
bonds (distance) C4'-P energy: -17.727
bonds (distance) P-C4' energy: -19.555
flat angles C4'-P-C4' energy: -23.984
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -23.702
Dist. restrs. and SS energy: 1.044 (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: 2
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -308.531589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.531589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.696415 (E_RNA)
where:
Base-Base interactions energy: -212.395
where: short stacking energy: -72.499
Base-Backbone interact. energy: -1.776
local terms energy: -95.526184
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -20.863
flat angles C4'-P-C4' energy: -20.714
flat angles P-C4'-P energy: -15.902
tors. eta vs tors. theta energy: -21.559
Dist. restrs. and SS energy: 1.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -267.654249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.654249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.635220 (E_RNA)
where:
Base-Base interactions energy: -178.805
where: short stacking energy: -67.891
Base-Backbone interact. energy: -0.187
local terms energy: -92.643427
where:
bonds (distance) C4'-P energy: -20.134
bonds (distance) P-C4' energy: -23.181
flat angles C4'-P-C4' energy: -19.560
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -16.508
Dist. restrs. and SS energy: 3.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -271.202208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.202208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.435006 (E_RNA)
where:
Base-Base interactions energy: -181.736
where: short stacking energy: -73.273
Base-Backbone interact. energy: -1.657
local terms energy: -88.041733
where:
bonds (distance) C4'-P energy: -11.500
bonds (distance) P-C4' energy: -23.856
flat angles C4'-P-C4' energy: -20.075
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -21.362
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: 9, replica: 5
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -239.610273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.610273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.416327 (E_RNA)
where:
Base-Base interactions energy: -155.426
where: short stacking energy: -63.915
Base-Backbone interact. energy: -0.271
local terms energy: -85.719676
where:
bonds (distance) C4'-P energy: -17.731
bonds (distance) P-C4' energy: -20.621
flat angles C4'-P-C4' energy: -23.264
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -12.333
Dist. restrs. and SS energy: 1.806 (S_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: 195
Temperature: 1.350000
Total energy: -211.632219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.632219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.516316 (E_RNA)
where:
Base-Base interactions energy: -132.478
where: short stacking energy: -55.907
Base-Backbone interact. energy: -2.045
local terms energy: -77.992760
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -21.101
flat angles C4'-P-C4' energy: -22.784
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -7.325
Dist. restrs. and SS energy: 0.884 (S_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: 196
Temperature: 0.900000
Total energy: -374.536061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.536061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.946328 (E_RNA)
where:
Base-Base interactions energy: -260.160
where: short stacking energy: -93.389
Base-Backbone interact. energy: -0.836
local terms energy: -113.950373
where:
bonds (distance) C4'-P energy: -21.169
bonds (distance) P-C4' energy: -21.041
flat angles C4'-P-C4' energy: -25.594
flat angles P-C4'-P energy: -15.418
tors. eta vs tors. theta energy: -30.728
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: 2, replica: 10
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -355.667479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.667479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.694360 (E_RNA)
where:
Base-Base interactions energy: -250.493
where: short stacking energy: -100.494
Base-Backbone interact. energy: -0.948
local terms energy: -105.253315
where:
bonds (distance) C4'-P energy: -19.958
bonds (distance) P-C4' energy: -23.118
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -20.242
tors. eta vs tors. theta energy: -25.450
Dist. restrs. and SS energy: 1.027 (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: 8
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -348.813498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.813498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.949963 (E_RNA)
where:
Base-Base interactions energy: -242.631
where: short stacking energy: -90.455
Base-Backbone interact. energy: -0.718
local terms energy: -106.600440
where:
bonds (distance) C4'-P energy: -22.305
bonds (distance) P-C4' energy: -20.395
flat angles C4'-P-C4' energy: -21.487
flat angles P-C4'-P energy: -15.200
tors. eta vs tors. theta energy: -27.214
Dist. restrs. and SS energy: 1.136 (S_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: -348.836681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.836681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.278285 (E_RNA)
where:
Base-Base interactions energy: -248.336
where: short stacking energy: -95.785
Base-Backbone interact. energy: -1.289
local terms energy: -102.653055
where:
bonds (distance) C4'-P energy: -19.620
bonds (distance) P-C4' energy: -22.790
flat angles C4'-P-C4' energy: -23.089
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -26.107
Dist. restrs. and SS energy: 3.442 (S_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: 196
Temperature: 1.100000
Total energy: -317.897060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.897060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.038602 (E_RNA)
where:
Base-Base interactions energy: -221.570
where: short stacking energy: -83.569
Base-Backbone interact. energy: -0.217
local terms energy: -96.251371
where:
bonds (distance) C4'-P energy: -19.220
bonds (distance) P-C4' energy: -18.155
flat angles C4'-P-C4' energy: -23.026
flat angles P-C4'-P energy: -13.964
tors. eta vs tors. theta energy: -21.886
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: 196
Temperature: 1.150000
Total energy: -299.912113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.912113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.152108 (E_RNA)
where:
Base-Base interactions energy: -208.353
where: short stacking energy: -88.406
Base-Backbone interact. energy: -2.369
local terms energy: -93.429849
where:
bonds (distance) C4'-P energy: -19.325
bonds (distance) P-C4' energy: -17.776
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -26.990
Dist. restrs. and SS energy: 4.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -282.139951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.139951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.284938 (E_RNA)
where:
Base-Base interactions energy: -198.183
where: short stacking energy: -74.384
Base-Backbone interact. energy: -0.272
local terms energy: -83.830737
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -19.380
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -17.943
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: 1
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -268.008224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.008224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.902083 (E_RNA)
where:
Base-Base interactions energy: -177.644
where: short stacking energy: -78.714
Base-Backbone interact. energy: -1.271
local terms energy: -92.987402
where:
bonds (distance) C4'-P energy: -24.097
bonds (distance) P-C4' energy: -16.627
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -16.386
tors. eta vs tors. theta energy: -21.254
Dist. restrs. and SS energy: 3.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -235.823002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.823002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.058057 (E_RNA)
where:
Base-Base interactions energy: -155.956
where: short stacking energy: -55.694
Base-Backbone interact. energy: -1.121
local terms energy: -82.980875
where:
bonds (distance) C4'-P energy: -21.358
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -17.976
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -13.359
Dist. restrs. and SS energy: 4.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -241.285759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.285759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.621805 (E_RNA)
where:
Base-Base interactions energy: -178.935
where: short stacking energy: -68.371
Base-Backbone interact. energy: -0.680
local terms energy: -64.007413
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -10.877
flat angles P-C4'-P energy: -14.240
tors. eta vs tors. theta energy: -8.364
Dist. restrs. and SS energy: 2.336 (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: 4
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -371.164355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.164355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.278593 (E_RNA)
where:
Base-Base interactions energy: -262.772
where: short stacking energy: -93.519
Base-Backbone interact. energy: -1.158
local terms energy: -108.348693
where:
bonds (distance) C4'-P energy: -23.998
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -19.128
flat angles P-C4'-P energy: -19.824
tors. eta vs tors. theta energy: -27.045
Dist. restrs. and SS energy: 1.114 (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: 8
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -357.575408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.575408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.303195 (E_RNA)
where:
Base-Base interactions energy: -245.672
where: short stacking energy: -90.664
Base-Backbone interact. energy: 0.269
local terms energy: -112.899826
where:
bonds (distance) C4'-P energy: -21.733
bonds (distance) P-C4' energy: -22.844
flat angles C4'-P-C4' energy: -24.606
flat angles P-C4'-P energy: -15.397
tors. eta vs tors. theta energy: -28.320
Dist. restrs. and SS energy: 0.728 (S_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: 197
Temperature: 1.000000
Total energy: -350.211540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.211540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.561063 (E_RNA)
where:
Base-Base interactions energy: -247.396
where: short stacking energy: -95.828
Base-Backbone interact. energy: -0.251
local terms energy: -103.913647
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -20.987
flat angles C4'-P-C4' energy: -18.479
flat angles P-C4'-P energy: -18.429
tors. eta vs tors. theta energy: -28.713
Dist. restrs. and SS energy: 1.350 (S_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: -346.161888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.161888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.076947 (E_RNA)
where:
Base-Base interactions energy: -232.092
where: short stacking energy: -96.259
Base-Backbone interact. energy: -1.001
local terms energy: -114.984734
where:
bonds (distance) C4'-P energy: -22.363
bonds (distance) P-C4' energy: -24.723
flat angles C4'-P-C4' energy: -25.530
flat angles P-C4'-P energy: -14.440
tors. eta vs tors. theta energy: -27.930
Dist. restrs. and SS energy: 1.915 (S_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: 197
Temperature: 1.100000
Total energy: -327.415924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.415924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.027888 (E_RNA)
where:
Base-Base interactions energy: -236.433
where: short stacking energy: -88.534
Base-Backbone interact. energy: 1.799
local terms energy: -93.393950
where:
bonds (distance) C4'-P energy: -20.763
bonds (distance) P-C4' energy: -19.478
flat angles C4'-P-C4' energy: -23.528
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -17.999
Dist. restrs. and SS energy: 0.612 (S_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: 197
Temperature: 1.150000
Total energy: -300.911944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.911944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.574441 (E_RNA)
where:
Base-Base interactions energy: -203.289
where: short stacking energy: -82.220
Base-Backbone interact. energy: 1.741
local terms energy: -104.026843
where:
bonds (distance) C4'-P energy: -22.040
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -25.833
flat angles P-C4'-P energy: -13.671
tors. eta vs tors. theta energy: -23.763
Dist. restrs. and SS energy: 4.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -301.621751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.621751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.643764 (E_RNA)
where:
Base-Base interactions energy: -209.432
where: short stacking energy: -82.078
Base-Backbone interact. energy: 0.111
local terms energy: -92.322518
where:
bonds (distance) C4'-P energy: -18.685
bonds (distance) P-C4' energy: -22.557
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -23.795
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: 1
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -266.607591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.607591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.165112 (E_RNA)
where:
Base-Base interactions energy: -179.781
where: short stacking energy: -69.418
Base-Backbone interact. energy: -0.402
local terms energy: -87.982389
where:
bonds (distance) C4'-P energy: -23.884
bonds (distance) P-C4' energy: -22.863
flat angles C4'-P-C4' energy: -17.702
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -12.939
Dist. restrs. and SS energy: 1.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -245.256921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.256921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.215002 (E_RNA)
where:
Base-Base interactions energy: -166.813
where: short stacking energy: -68.967
Base-Backbone interact. energy: -0.367
local terms energy: -80.035554
where:
bonds (distance) C4'-P energy: -22.479
bonds (distance) P-C4' energy: -6.754
flat angles C4'-P-C4' energy: -19.557
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: -17.466
Dist. restrs. and SS energy: 1.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -241.665416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.665416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.207281 (E_RNA)
where:
Base-Base interactions energy: -161.477
where: short stacking energy: -61.885
Base-Backbone interact. energy: -0.090
local terms energy: -80.640812
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -23.048
flat angles C4'-P-C4' energy: -21.037
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -9.793
Dist. restrs. and SS energy: 0.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -365.581683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.581683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.704960 (E_RNA)
where:
Base-Base interactions energy: -254.152
where: short stacking energy: -100.193
Base-Backbone interact. energy: -0.837
local terms energy: -111.715735
where:
bonds (distance) C4'-P energy: -22.843
bonds (distance) P-C4' energy: -25.159
flat angles C4'-P-C4' energy: -21.685
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -30.047
Dist. restrs. and SS energy: 1.123 (S_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: 198
Temperature: 0.950000
Total energy: -358.119062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.119062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.541651 (E_RNA)
where:
Base-Base interactions energy: -258.980
where: short stacking energy: -105.751
Base-Backbone interact. energy: -0.560
local terms energy: -100.001396
where:
bonds (distance) C4'-P energy: -21.638
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -19.716
flat angles P-C4'-P energy: -17.230
tors. eta vs tors. theta energy: -25.782
Dist. restrs. and SS energy: 1.423 (S_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: 198
Temperature: 1.000000
Total energy: -361.159965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.159965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.475278 (E_RNA)
where:
Base-Base interactions energy: -251.629
where: short stacking energy: -102.697
Base-Backbone interact. energy: -1.054
local terms energy: -109.792538
where:
bonds (distance) C4'-P energy: -21.951
bonds (distance) P-C4' energy: -23.607
flat angles C4'-P-C4' energy: -21.230
flat angles P-C4'-P energy: -16.250
tors. eta vs tors. theta energy: -26.755
Dist. restrs. and SS energy: 1.315 (S_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: 198
Temperature: 1.050000
Total energy: -350.277606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.277606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.399615 (E_RNA)
where:
Base-Base interactions energy: -246.611
where: short stacking energy: -93.995
Base-Backbone interact. energy: 0.606
local terms energy: -105.395293
where:
bonds (distance) C4'-P energy: -19.862
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -22.195
flat angles P-C4'-P energy: -14.366
tors. eta vs tors. theta energy: -31.293
Dist. restrs. and SS energy: 1.122 (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: 7
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -305.372426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.372426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.922448 (E_RNA)
where:
Base-Base interactions energy: -215.727
where: short stacking energy: -83.909
Base-Backbone interact. energy: -0.310
local terms energy: -91.885319
where:
bonds (distance) C4'-P energy: -17.826
bonds (distance) P-C4' energy: -22.725
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -16.494
tors. eta vs tors. theta energy: -16.614
Dist. restrs. and SS energy: 2.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -309.568548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.568548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.958092 (E_RNA)
where:
Base-Base interactions energy: -220.189
where: short stacking energy: -83.797
Base-Backbone interact. energy: -1.029
local terms energy: -89.739509
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -20.035
flat angles P-C4'-P energy: -13.081
tors. eta vs tors. theta energy: -20.371
Dist. restrs. and SS energy: 1.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -271.107570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.107570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.568576 (E_RNA)
where:
Base-Base interactions energy: -184.565
where: short stacking energy: -78.787
Base-Backbone interact. energy: -0.672
local terms energy: -90.331849
where:
bonds (distance) C4'-P energy: -21.197
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -20.335
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -19.425
Dist. restrs. and SS energy: 4.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -283.706718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.706718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.897786 (E_RNA)
where:
Base-Base interactions energy: -204.688
where: short stacking energy: -73.552
Base-Backbone interact. energy: 0.356
local terms energy: -79.565510
where:
bonds (distance) C4'-P energy: -20.590
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -19.855
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -11.445
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: 3
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -235.653543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.653543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.703735 (E_RNA)
where:
Base-Base interactions energy: -151.456
where: short stacking energy: -54.515
Base-Backbone interact. energy: 0.762
local terms energy: -89.009616
where:
bonds (distance) C4'-P energy: -17.002
bonds (distance) P-C4' energy: -23.151
flat angles C4'-P-C4' energy: -23.533
flat angles P-C4'-P energy: -13.269
tors. eta vs tors. theta energy: -12.054
Dist. restrs. and SS energy: 4.050 (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: 5
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -242.900723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.900723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.947764 (E_RNA)
where:
Base-Base interactions energy: -159.040
where: short stacking energy: -52.939
Base-Backbone interact. energy: 0.372
local terms energy: -84.279653
where:
bonds (distance) C4'-P energy: -22.633
bonds (distance) P-C4' energy: -18.335
flat angles C4'-P-C4' energy: -22.919
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: -6.068
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: 8
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -360.425046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.425046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.865219 (E_RNA)
where:
Base-Base interactions energy: -255.973
where: short stacking energy: -104.201
Base-Backbone interact. energy: 1.141
local terms energy: -107.033006
where:
bonds (distance) C4'-P energy: -22.732
bonds (distance) P-C4' energy: -20.191
flat angles C4'-P-C4' energy: -24.382
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -27.309
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: 2, replica: 10
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -353.286972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.286972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.847224 (E_RNA)
where:
Base-Base interactions energy: -246.792
where: short stacking energy: -93.136
Base-Backbone interact. energy: -0.605
local terms energy: -107.450798
where:
bonds (distance) C4'-P energy: -24.591
bonds (distance) P-C4' energy: -23.859
flat angles C4'-P-C4' energy: -19.013
flat angles P-C4'-P energy: -16.212
tors. eta vs tors. theta energy: -23.775
Dist. restrs. and SS energy: 1.560 (S_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: 199
Temperature: 1.000000
Total energy: -346.117110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.117110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.310628 (E_RNA)
where:
Base-Base interactions energy: -244.413
where: short stacking energy: -97.866
Base-Backbone interact. energy: 0.280
local terms energy: -103.177802
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -23.810
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -19.252
tors. eta vs tors. theta energy: -26.932
Dist. restrs. and SS energy: 1.194 (S_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: 199
Temperature: 1.050000
Total energy: -360.284056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.284056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.840715 (E_RNA)
where:
Base-Base interactions energy: -247.298
where: short stacking energy: -94.793
Base-Backbone interact. energy: -0.944
local terms energy: -113.598450
where:
bonds (distance) C4'-P energy: -18.681
bonds (distance) P-C4' energy: -23.547
flat angles C4'-P-C4' energy: -24.922
flat angles P-C4'-P energy: -18.140
tors. eta vs tors. theta energy: -28.307
Dist. restrs. and SS energy: 1.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -294.184065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.184065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.263113 (E_RNA)
where:
Base-Base interactions energy: -202.351
where: short stacking energy: -78.690
Base-Backbone interact. energy: -1.833
local terms energy: -91.079542
where:
bonds (distance) C4'-P energy: -17.208
bonds (distance) P-C4' energy: -21.388
flat angles C4'-P-C4' energy: -16.645
flat angles P-C4'-P energy: -13.881
tors. eta vs tors. theta energy: -21.958
Dist. restrs. and SS energy: 1.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -260.739338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.739338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.379666 (E_RNA)
where:
Base-Base interactions energy: -168.849
where: short stacking energy: -74.866
Base-Backbone interact. energy: 0.850
local terms energy: -96.381083
where:
bonds (distance) C4'-P energy: -19.064
bonds (distance) P-C4' energy: -24.747
flat angles C4'-P-C4' energy: -22.195
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -19.044
Dist. restrs. and SS energy: 3.640 (S_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: 199
Temperature: 1.200000
Total energy: -321.062207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.062207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.686187 (E_RNA)
where:
Base-Base interactions energy: -226.894
where: short stacking energy: -103.880
Base-Backbone interact. energy: -1.203
local terms energy: -93.589363
where:
bonds (distance) C4'-P energy: -21.482
bonds (distance) P-C4' energy: -18.488
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -25.248
Dist. restrs. and SS energy: 0.624 (S_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: 199
Temperature: 1.250000
Total energy: -238.313732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.313732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.970072 (E_RNA)
where:
Base-Base interactions energy: -165.385
where: short stacking energy: -69.574
Base-Backbone interact. energy: -0.416
local terms energy: -73.168302
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -19.117
flat angles C4'-P-C4' energy: -10.729
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -16.839
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: 9, replica: 6
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -257.571019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.571019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.805087 (E_RNA)
where:
Base-Base interactions energy: -165.352
where: short stacking energy: -69.515
Base-Backbone interact. energy: -0.478
local terms energy: -92.975716
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -23.302
flat angles C4'-P-C4' energy: -24.036
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -18.015
Dist. restrs. and SS energy: 1.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -229.904094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.904094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.184186 (E_RNA)
where:
Base-Base interactions energy: -154.673
where: short stacking energy: -60.937
Base-Backbone interact. energy: 0.115
local terms energy: -76.626227
where:
bonds (distance) C4'-P energy: -20.324
bonds (distance) P-C4' energy: -19.544
flat angles C4'-P-C4' energy: -18.533
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -8.249
Dist. restrs. and SS energy: 1.280 (S_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: 200
Temperature: 0.900000
Total energy: -349.826848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.826848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.554161 (E_RNA)
where:
Base-Base interactions energy: -246.396
where: short stacking energy: -98.118
Base-Backbone interact. energy: -0.607
local terms energy: -103.551337
where:
bonds (distance) C4'-P energy: -18.306
bonds (distance) P-C4' energy: -24.418
flat angles C4'-P-C4' energy: -20.053
flat angles P-C4'-P energy: -14.955
tors. eta vs tors. theta energy: -25.819
Dist. restrs. and SS energy: 0.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -361.796081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.796081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.619594 (E_RNA)
where:
Base-Base interactions energy: -249.930
where: short stacking energy: -97.554
Base-Backbone interact. energy: -0.598
local terms energy: -112.091647
where:
bonds (distance) C4'-P energy: -21.280
bonds (distance) P-C4' energy: -21.834
flat angles C4'-P-C4' energy: -24.256
flat angles P-C4'-P energy: -15.887
tors. eta vs tors. theta energy: -28.834
Dist. restrs. and SS energy: 0.824 (S_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: 200
Temperature: 1.000000
Total energy: -363.175725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.175725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.632098 (E_RNA)
where:
Base-Base interactions energy: -246.317
where: short stacking energy: -95.947
Base-Backbone interact. energy: -1.777
local terms energy: -115.537386
where:
bonds (distance) C4'-P energy: -22.546
bonds (distance) P-C4' energy: -24.285
flat angles C4'-P-C4' energy: -22.000
flat angles P-C4'-P energy: -15.884
tors. eta vs tors. theta energy: -30.823
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: 4, replica: 9
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -331.211303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.211303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.994852 (E_RNA)
where:
Base-Base interactions energy: -232.815
where: short stacking energy: -89.940
Base-Backbone interact. energy: -1.558
local terms energy: -97.621965
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -24.214
flat angles C4'-P-C4' energy: -20.298
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -25.689
Dist. restrs. and SS energy: 0.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -249.421881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.421881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.298100 (E_RNA)
where:
Base-Base interactions energy: -164.470
where: short stacking energy: -65.786
Base-Backbone interact. energy: -1.027
local terms energy: -86.801235
where:
bonds (distance) C4'-P energy: -18.807
bonds (distance) P-C4' energy: -19.074
flat angles C4'-P-C4' energy: -17.631
flat angles P-C4'-P energy: -18.378
tors. eta vs tors. theta energy: -12.910
Dist. restrs. and SS energy: 2.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -285.081260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.081260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.855816 (E_RNA)
where:
Base-Base interactions energy: -202.622
where: short stacking energy: -80.014
Base-Backbone interact. energy: 0.286
local terms energy: -87.519051
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -23.530
flat angles C4'-P-C4' energy: -24.478
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -15.472
Dist. restrs. and SS energy: 4.775 (S_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: 200
Temperature: 1.200000
Total energy: -322.964327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.964327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.779429 (E_RNA)
where:
Base-Base interactions energy: -228.510
where: short stacking energy: -93.443
Base-Backbone interact. energy: -0.642
local terms energy: -94.627118
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -17.493
flat angles C4'-P-C4' energy: -19.576
flat angles P-C4'-P energy: -14.918
tors. eta vs tors. theta energy: -27.761
Dist. restrs. and SS energy: 0.815 (S_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: -244.569037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.569037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.438050 (E_RNA)
where:
Base-Base interactions energy: -168.196
where: short stacking energy: -69.090
Base-Backbone interact. energy: -1.770
local terms energy: -79.471736
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -18.481
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -20.257
Dist. restrs. and SS energy: 4.869 (S_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: 200
Temperature: 1.300000
Total energy: -265.401784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.401784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.980209 (E_RNA)
where:
Base-Base interactions energy: -196.130
where: short stacking energy: -74.117
Base-Backbone interact. energy: -0.695
local terms energy: -70.154936
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -23.445
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -6.221
Dist. restrs. and SS energy: 1.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -226.499227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.499227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.291851 (E_RNA)
where:
Base-Base interactions energy: -140.254
where: short stacking energy: -50.618
Base-Backbone interact. energy: 0.012
local terms energy: -88.049440
where:
bonds (distance) C4'-P energy: -22.484
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -21.662
flat angles P-C4'-P energy: -16.379
tors. eta vs tors. theta energy: -11.342
Dist. restrs. and SS energy: 1.793 (S_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: 201
Temperature: 0.900000
Total energy: -357.289823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.289823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.140813 (E_RNA)
where:
Base-Base interactions energy: -254.947
where: short stacking energy: -105.580
Base-Backbone interact. energy: 0.121
local terms energy: -103.315264
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -24.035
flat angles C4'-P-C4' energy: -22.992
flat angles P-C4'-P energy: -17.516
tors. eta vs tors. theta energy: -26.912
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: 2, replica: 4
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -364.838621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.838621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.527500 (E_RNA)
where:
Base-Base interactions energy: -255.296
where: short stacking energy: -108.385
Base-Backbone interact. energy: -0.082
local terms energy: -110.149863
where:
bonds (distance) C4'-P energy: -19.217
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -25.502
flat angles P-C4'-P energy: -19.398
tors. eta vs tors. theta energy: -29.719
Dist. restrs. and SS energy: 0.689 (S_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: 201
Temperature: 1.000000
Total energy: -353.699771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.699771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.033649 (E_RNA)
where:
Base-Base interactions energy: -248.576
where: short stacking energy: -98.127
Base-Backbone interact. energy: -0.159
local terms energy: -106.298745
where:
bonds (distance) C4'-P energy: -22.435
bonds (distance) P-C4' energy: -21.490
flat angles C4'-P-C4' energy: -22.525
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -26.142
Dist. restrs. and SS energy: 1.334 (S_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: -329.167106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.167106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.248200 (E_RNA)
where:
Base-Base interactions energy: -239.270
where: short stacking energy: -87.015
Base-Backbone interact. energy: -1.161
local terms energy: -90.816793
where:
bonds (distance) C4'-P energy: -19.660
bonds (distance) P-C4' energy: -12.509
flat angles C4'-P-C4' energy: -22.677
flat angles P-C4'-P energy: -13.392
tors. eta vs tors. theta energy: -22.578
Dist. restrs. and SS energy: 2.081 (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: 1
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -302.557865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.557865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.833437 (E_RNA)
where:
Base-Base interactions energy: -203.749
where: short stacking energy: -91.935
Base-Backbone interact. energy: -1.040
local terms energy: -104.044662
where:
bonds (distance) C4'-P energy: -22.467
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -21.377
flat angles P-C4'-P energy: -16.414
tors. eta vs tors. theta energy: -23.642
Dist. restrs. and SS energy: 6.276 (S_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: 201
Temperature: 1.150000
Total energy: -328.714217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.714217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.487728 (E_RNA)
where:
Base-Base interactions energy: -233.070
where: short stacking energy: -87.096
Base-Backbone interact. energy: 2.172
local terms energy: -98.589858
where:
bonds (distance) C4'-P energy: -20.194
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -19.573
flat angles P-C4'-P energy: -14.450
tors. eta vs tors. theta energy: -26.131
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: 7, replica: 7
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -277.332175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.332175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.032884 (E_RNA)
where:
Base-Base interactions energy: -192.982
where: short stacking energy: -81.934
Base-Backbone interact. energy: -0.818
local terms energy: -85.233176
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -16.669
flat angles C4'-P-C4' energy: -20.599
flat angles P-C4'-P energy: -16.037
tors. eta vs tors. theta energy: -19.559
Dist. restrs. and SS energy: 1.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -276.724733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.724733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.022193 (E_RNA)
where:
Base-Base interactions energy: -203.074
where: short stacking energy: -85.520
Base-Backbone interact. energy: 0.891
local terms energy: -75.839305
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -19.017
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -3.624
tors. eta vs tors. theta energy: -23.738
Dist. restrs. and SS energy: 1.297 (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: 3
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -241.535464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.535464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.568370 (E_RNA)
where:
Base-Base interactions energy: -158.327
where: short stacking energy: -68.784
Base-Backbone interact. energy: -0.306
local terms energy: -86.936049
where:
bonds (distance) C4'-P energy: -12.531
bonds (distance) P-C4' energy: -24.655
flat angles C4'-P-C4' energy: -18.735
flat angles P-C4'-P energy: -19.024
tors. eta vs tors. theta energy: -11.990
Dist. restrs. and SS energy: 4.033 (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: 5
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -205.933060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.933060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.100188 (E_RNA)
where:
Base-Base interactions energy: -132.453
where: short stacking energy: -46.913
Base-Backbone interact. energy: -0.790
local terms energy: -79.857318
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -21.691
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -11.807
Dist. restrs. and SS energy: 7.167 (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: 4
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -370.946603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.946603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.445982 (E_RNA)
where:
Base-Base interactions energy: -264.268
where: short stacking energy: -110.031
Base-Backbone interact. energy: 0.784
local terms energy: -107.962104
where:
bonds (distance) C4'-P energy: -22.685
bonds (distance) P-C4' energy: -20.747
flat angles C4'-P-C4' energy: -22.101
flat angles P-C4'-P energy: -13.783
tors. eta vs tors. theta energy: -28.645
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: 2, replica: 10
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -343.961846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.961846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.702812 (E_RNA)
where:
Base-Base interactions energy: -243.717
where: short stacking energy: -91.233
Base-Backbone interact. energy: -1.062
local terms energy: -99.924115
where:
bonds (distance) C4'-P energy: -14.246
bonds (distance) P-C4' energy: -24.311
flat angles C4'-P-C4' energy: -20.251
flat angles P-C4'-P energy: -16.398
tors. eta vs tors. theta energy: -24.719
Dist. restrs. and SS energy: 0.741 (S_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: 202
Temperature: 1.000000
Total energy: -352.186839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.186839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.364758 (E_RNA)
where:
Base-Base interactions energy: -251.452
where: short stacking energy: -87.421
Base-Backbone interact. energy: -0.958
local terms energy: -100.955237
where:
bonds (distance) C4'-P energy: -17.332
bonds (distance) P-C4' energy: -22.814
flat angles C4'-P-C4' energy: -19.881
flat angles P-C4'-P energy: -17.809
tors. eta vs tors. theta energy: -23.121
Dist. restrs. and SS energy: 1.178 (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: 9
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -345.975845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.975845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.400995 (E_RNA)
where:
Base-Base interactions energy: -244.777
where: short stacking energy: -95.056
Base-Backbone interact. energy: -1.519
local terms energy: -101.105483
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -23.941
flat angles C4'-P-C4' energy: -26.433
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -24.006
Dist. restrs. and SS energy: 1.425 (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: 2
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -323.208012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.208012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.438395 (E_RNA)
where:
Base-Base interactions energy: -227.701
where: short stacking energy: -79.964
Base-Backbone interact. energy: -1.125
local terms energy: -94.611837
where:
bonds (distance) C4'-P energy: -17.015
bonds (distance) P-C4' energy: -24.336
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -14.728
tors. eta vs tors. theta energy: -20.091
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: 6, replica: 1
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -292.514953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.514953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.990578 (E_RNA)
where:
Base-Base interactions energy: -188.056
where: short stacking energy: -79.169
Base-Backbone interact. energy: -0.962
local terms energy: -104.972056
where:
bonds (distance) C4'-P energy: -22.388
bonds (distance) P-C4' energy: -27.061
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -15.460
tors. eta vs tors. theta energy: -18.374
Dist. restrs. and SS energy: 1.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -302.366734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.366734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.978655 (E_RNA)
where:
Base-Base interactions energy: -201.889
where: short stacking energy: -90.198
Base-Backbone interact. energy: -1.864
local terms energy: -99.226400
where:
bonds (distance) C4'-P energy: -24.341
bonds (distance) P-C4' energy: -14.334
flat angles C4'-P-C4' energy: -19.199
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -27.351
Dist. restrs. and SS energy: 0.612 (S_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: 202
Temperature: 1.250000
Total energy: -273.008290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.008290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.758217 (E_RNA)
where:
Base-Base interactions energy: -187.984
where: short stacking energy: -77.321
Base-Backbone interact. energy: 0.920
local terms energy: -87.694185
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -18.239
tors. eta vs tors. theta energy: -21.261
Dist. restrs. and SS energy: 1.750 (S_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: 202
Temperature: 1.300000
Total energy: -201.593431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.593431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.257352 (E_RNA)
where:
Base-Base interactions energy: -129.040
where: short stacking energy: -50.085
Base-Backbone interact. energy: -2.392
local terms energy: -75.825793
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -22.926
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -16.222
tors. eta vs tors. theta energy: -7.442
Dist. restrs. and SS energy: 5.664 (S_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: -247.525907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.525907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.895464 (E_RNA)
where:
Base-Base interactions energy: -158.425
where: short stacking energy: -74.690
Base-Backbone interact. energy: -0.687
local terms energy: -94.783280
where:
bonds (distance) C4'-P energy: -20.119
bonds (distance) P-C4' energy: -19.590
flat angles C4'-P-C4' energy: -24.616
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -16.931
Dist. restrs. and SS energy: 6.370 (S_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: 203
Temperature: 0.900000
Total energy: -364.895521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.895521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.307212 (E_RNA)
where:
Base-Base interactions energy: -248.009
where: short stacking energy: -96.108
Base-Backbone interact. energy: -0.327
local terms energy: -117.970916
where:
bonds (distance) C4'-P energy: -23.303
bonds (distance) P-C4' energy: -24.914
flat angles C4'-P-C4' energy: -22.276
flat angles P-C4'-P energy: -18.143
tors. eta vs tors. theta energy: -29.335
Dist. restrs. and SS energy: 1.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -362.121051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.121051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.745030 (E_RNA)
where:
Base-Base interactions energy: -246.222
where: short stacking energy: -96.987
Base-Backbone interact. energy: -0.575
local terms energy: -115.948127
where:
bonds (distance) C4'-P energy: -22.093
bonds (distance) P-C4' energy: -26.001
flat angles C4'-P-C4' energy: -22.554
flat angles P-C4'-P energy: -15.426
tors. eta vs tors. theta energy: -29.874
Dist. restrs. and SS energy: 0.624 (S_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: -353.998846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.998846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.912946 (E_RNA)
where:
Base-Base interactions energy: -249.196
where: short stacking energy: -95.693
Base-Backbone interact. energy: -0.761
local terms energy: -104.955959
where:
bonds (distance) C4'-P energy: -17.465
bonds (distance) P-C4' energy: -25.297
flat angles C4'-P-C4' energy: -24.215
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -28.728
Dist. restrs. and SS energy: 0.914 (S_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: 203
Temperature: 1.050000
Total energy: -337.886885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.886885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.970975 (E_RNA)
where:
Base-Base interactions energy: -236.846
where: short stacking energy: -94.424
Base-Backbone interact. energy: 0.371
local terms energy: -103.496239
where:
bonds (distance) C4'-P energy: -19.709
bonds (distance) P-C4' energy: -23.452
flat angles C4'-P-C4' energy: -26.232
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -25.288
Dist. restrs. and SS energy: 2.084 (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: 2
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -313.472298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.472298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.046728 (E_RNA)
where:
Base-Base interactions energy: -216.354
where: short stacking energy: -86.543
Base-Backbone interact. energy: -1.615
local terms energy: -96.077701
where:
bonds (distance) C4'-P energy: -22.491
bonds (distance) P-C4' energy: -22.031
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -15.365
tors. eta vs tors. theta energy: -20.738
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: 6
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -304.828648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.828648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.725691 (E_RNA)
where:
Base-Base interactions energy: -211.537
where: short stacking energy: -78.712
Base-Backbone interact. energy: -0.986
local terms energy: -93.202776
where:
bonds (distance) C4'-P energy: -18.412
bonds (distance) P-C4' energy: -21.031
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -13.645
tors. eta vs tors. theta energy: -22.527
Dist. restrs. and SS energy: 0.897 (S_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: 203
Temperature: 1.200000
Total energy: -255.461613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.461613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.830536 (E_RNA)
where:
Base-Base interactions energy: -167.833
where: short stacking energy: -62.415
Base-Backbone interact. energy: -0.303
local terms energy: -89.694711
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -21.898
flat angles C4'-P-C4' energy: -25.266
flat angles P-C4'-P energy: -14.746
tors. eta vs tors. theta energy: -11.884
Dist. restrs. and SS energy: 2.369 (S_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: 203
Temperature: 1.250000
Total energy: -276.735994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.735994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.966734 (E_RNA)
where:
Base-Base interactions energy: -195.095
where: short stacking energy: -84.938
Base-Backbone interact. energy: -0.460
local terms energy: -83.411418
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -21.735
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -15.744
tors. eta vs tors. theta energy: -18.536
Dist. restrs. and SS energy: 2.231 (S_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: 203
Temperature: 1.300000
Total energy: -229.946865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.946865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.041286 (E_RNA)
where:
Base-Base interactions energy: -153.213
where: short stacking energy: -53.648
Base-Backbone interact. energy: -0.670
local terms energy: -76.158054
where:
bonds (distance) C4'-P energy: -20.981
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -11.411
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: 10, replica: 3
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -222.152974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.152974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.474873 (E_RNA)
where:
Base-Base interactions energy: -143.749
where: short stacking energy: -53.909
Base-Backbone interact. energy: -0.237
local terms energy: -81.488176
where:
bonds (distance) C4'-P energy: -22.569
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -20.395
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -6.967
Dist. restrs. and SS energy: 3.322 (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: 4
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -371.541811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.541811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.803810 (E_RNA)
where:
Base-Base interactions energy: -266.193
where: short stacking energy: -109.373
Base-Backbone interact. energy: -0.410
local terms energy: -106.201335
where:
bonds (distance) C4'-P energy: -20.608
bonds (distance) P-C4' energy: -23.171
flat angles C4'-P-C4' energy: -22.293
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -27.275
Dist. restrs. and SS energy: 1.262 (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: 8
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -360.749923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.749923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.900043 (E_RNA)
where:
Base-Base interactions energy: -246.692
where: short stacking energy: -99.620
Base-Backbone interact. energy: -0.391
local terms energy: -113.816849
where:
bonds (distance) C4'-P energy: -23.213
bonds (distance) P-C4' energy: -20.653
flat angles C4'-P-C4' energy: -27.020
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -29.918
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: 3, replica: 10
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -349.580503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.580503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.115895 (E_RNA)
where:
Base-Base interactions energy: -247.429
where: short stacking energy: -93.847
Base-Backbone interact. energy: -0.056
local terms energy: -103.630765
where:
bonds (distance) C4'-P energy: -20.928
bonds (distance) P-C4' energy: -22.189
flat angles C4'-P-C4' energy: -19.579
flat angles P-C4'-P energy: -14.521
tors. eta vs tors. theta energy: -26.414
Dist. restrs. and SS energy: 1.535 (S_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: 204
Temperature: 1.050000
Total energy: -340.018154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.018154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.035327 (E_RNA)
where:
Base-Base interactions energy: -229.617
where: short stacking energy: -85.131
Base-Backbone interact. energy: -0.685
local terms energy: -110.732686
where:
bonds (distance) C4'-P energy: -24.301
bonds (distance) P-C4' energy: -21.962
flat angles C4'-P-C4' energy: -21.625
flat angles P-C4'-P energy: -14.280
tors. eta vs tors. theta energy: -28.565
Dist. restrs. and SS energy: 1.017 (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: 6
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -315.333193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.333193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.832976 (E_RNA)
where:
Base-Base interactions energy: -214.669
where: short stacking energy: -85.231
Base-Backbone interact. energy: -0.653
local terms energy: -101.510911
where:
bonds (distance) C4'-P energy: -22.943
bonds (distance) P-C4' energy: -25.878
flat angles C4'-P-C4' energy: -25.520
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -18.811
Dist. restrs. and SS energy: 1.500 (S_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: -297.412753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.412753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.763557 (E_RNA)
where:
Base-Base interactions energy: -212.496
where: short stacking energy: -76.018
Base-Backbone interact. energy: 2.407
local terms energy: -87.674252
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -20.864
flat angles C4'-P-C4' energy: -22.477
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -16.334
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: 7, replica: 7
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -252.995601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.995601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.937155 (E_RNA)
where:
Base-Base interactions energy: -164.074
where: short stacking energy: -65.106
Base-Backbone interact. energy: -0.350
local terms energy: -92.513080
where:
bonds (distance) C4'-P energy: -21.366
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -25.053
flat angles P-C4'-P energy: -16.102
tors. eta vs tors. theta energy: -11.757
Dist. restrs. and SS energy: 3.942 (S_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: -244.860954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.860954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.853151 (E_RNA)
where:
Base-Base interactions energy: -163.655
where: short stacking energy: -65.311
Base-Backbone interact. energy: -0.256
local terms energy: -81.941477
where:
bonds (distance) C4'-P energy: -21.281
bonds (distance) P-C4' energy: -23.410
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -13.234
tors. eta vs tors. theta energy: -11.501
Dist. restrs. and SS energy: 0.992 (S_DIST_RNA)
chem. 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: -225.739015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.739015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.845454 (E_RNA)
where:
Base-Base interactions energy: -149.223
where: short stacking energy: -55.314
Base-Backbone interact. energy: 0.254
local terms energy: -83.876086
where:
bonds (distance) C4'-P energy: -22.230
bonds (distance) P-C4' energy: -25.501
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -7.504
Dist. restrs. and SS energy: 7.106 (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: 204
Temperature: 1.350000
Total energy: -211.057889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.057889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.870542 (E_RNA)
where:
Base-Base interactions energy: -139.400
where: short stacking energy: -57.392
Base-Backbone interact. energy: -0.265
local terms energy: -80.205033
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -18.288
flat angles P-C4'-P energy: -13.414
tors. eta vs tors. theta energy: -15.826
Dist. restrs. and SS energy: 8.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -371.094271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.094271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.185278 (E_RNA)
where:
Base-Base interactions energy: -264.248
where: short stacking energy: -93.921
Base-Backbone interact. energy: 0.403
local terms energy: -108.341058
where:
bonds (distance) C4'-P energy: -22.095
bonds (distance) P-C4' energy: -18.885
flat angles C4'-P-C4' energy: -22.455
flat angles P-C4'-P energy: -14.250
tors. eta vs tors. theta energy: -30.657
Dist. restrs. and SS energy: 1.091 (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: 10
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -369.184099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.184099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.172496 (E_RNA)
where:
Base-Base interactions energy: -250.925
where: short stacking energy: -98.984
Base-Backbone interact. energy: 0.024
local terms energy: -120.270851
where:
bonds (distance) C4'-P energy: -23.679
bonds (distance) P-C4' energy: -25.558
flat angles C4'-P-C4' energy: -25.934
flat angles P-C4'-P energy: -16.437
tors. eta vs tors. theta energy: -28.663
Dist. restrs. and SS energy: 1.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -348.431751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.431751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.242299 (E_RNA)
where:
Base-Base interactions energy: -246.388
where: short stacking energy: -89.913
Base-Backbone interact. energy: -0.558
local terms energy: -102.296610
where:
bonds (distance) C4'-P energy: -20.588
bonds (distance) P-C4' energy: -18.060
flat angles C4'-P-C4' energy: -22.901
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -28.920
Dist. restrs. and SS energy: 0.811 (S_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: 205
Temperature: 1.050000
Total energy: -354.059424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.059424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.214353 (E_RNA)
where:
Base-Base interactions energy: -247.992
where: short stacking energy: -97.305
Base-Backbone interact. energy: -0.273
local terms energy: -105.949113
where:
bonds (distance) C4'-P energy: -19.492
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -25.837
flat angles P-C4'-P energy: -16.549
tors. eta vs tors. theta energy: -26.027
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: 5, replica: 6
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -299.901396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.901396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.085752 (E_RNA)
where:
Base-Base interactions energy: -207.477
where: short stacking energy: -85.035
Base-Backbone interact. energy: 1.608
local terms energy: -95.216592
where:
bonds (distance) C4'-P energy: -19.772
bonds (distance) P-C4' energy: -23.608
flat angles C4'-P-C4' energy: -20.762
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -19.673
Dist. restrs. and SS energy: 1.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -287.782293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.782293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.028245 (E_RNA)
where:
Base-Base interactions energy: -204.608
where: short stacking energy: -83.204
Base-Backbone interact. energy: -0.615
local terms energy: -82.805739
where:
bonds (distance) C4'-P energy: -16.592
bonds (distance) P-C4' energy: -20.096
flat angles C4'-P-C4' energy: -18.268
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -19.442
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: 7, replica: 7
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -266.029347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.029347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.125455 (E_RNA)
where:
Base-Base interactions energy: -171.159
where: short stacking energy: -72.824
Base-Backbone interact. energy: 0.031
local terms energy: -95.998208
where:
bonds (distance) C4'-P energy: -23.054
bonds (distance) P-C4' energy: -25.203
flat angles C4'-P-C4' energy: -21.262
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -16.356
Dist. restrs. and SS energy: 1.096 (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: 1
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -272.612013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.612013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.485977 (E_RNA)
where:
Base-Base interactions energy: -188.962
where: short stacking energy: -78.509
Base-Backbone interact. energy: -0.694
local terms energy: -83.830581
where:
bonds (distance) C4'-P energy: -22.521
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -16.545
Dist. restrs. and SS energy: 0.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -228.852299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.852299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.511472 (E_RNA)
where:
Base-Base interactions energy: -160.917
where: short stacking energy: -54.723
Base-Backbone interact. energy: -0.858
local terms energy: -69.735799
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -17.676
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -11.980
Dist. restrs. and SS energy: 2.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -212.344389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.344389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.233783 (E_RNA)
where:
Base-Base interactions energy: -137.768
where: short stacking energy: -55.328
Base-Backbone interact. energy: -0.449
local terms energy: -76.017248
where:
bonds (distance) C4'-P energy: -19.134
bonds (distance) P-C4' energy: -21.567
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -8.400
Dist. restrs. and SS energy: 1.889 (S_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: 206
Temperature: 0.900000
Total energy: -369.839533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.839533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.613966 (E_RNA)
where:
Base-Base interactions energy: -254.177
where: short stacking energy: -102.731
Base-Backbone interact. energy: -1.520
local terms energy: -114.916614
where:
bonds (distance) C4'-P energy: -22.637
bonds (distance) P-C4' energy: -24.426
flat angles C4'-P-C4' energy: -24.004
flat angles P-C4'-P energy: -14.677
tors. eta vs tors. theta energy: -29.173
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: 10
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -360.312008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.312008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.531870 (E_RNA)
where:
Base-Base interactions energy: -253.362
where: short stacking energy: -98.269
Base-Backbone interact. energy: 0.475
local terms energy: -107.644803
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -23.465
flat angles C4'-P-C4' energy: -20.411
flat angles P-C4'-P energy: -18.693
tors. eta vs tors. theta energy: -27.178
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: 3, replica: 9
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -335.538360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.538360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.745188 (E_RNA)
where:
Base-Base interactions energy: -228.293
where: short stacking energy: -91.190
Base-Backbone interact. energy: -0.360
local terms energy: -107.092429
where:
bonds (distance) C4'-P energy: -22.562
bonds (distance) P-C4' energy: -23.399
flat angles C4'-P-C4' energy: -21.296
flat angles P-C4'-P energy: -16.436
tors. eta vs tors. theta energy: -23.399
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: 4, replica: 8
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -347.052233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.052233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.839838 (E_RNA)
where:
Base-Base interactions energy: -250.181
where: short stacking energy: -94.767
Base-Backbone interact. energy: -0.097
local terms energy: -98.562029
where:
bonds (distance) C4'-P energy: -18.470
bonds (distance) P-C4' energy: -20.508
flat angles C4'-P-C4' energy: -22.080
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -25.478
Dist. restrs. and SS energy: 1.788 (S_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: 206
Temperature: 1.100000
Total energy: -296.261225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.261225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.034583 (E_RNA)
where:
Base-Base interactions energy: -201.340
where: short stacking energy: -77.785
Base-Backbone interact. energy: -0.563
local terms energy: -96.131532
where:
bonds (distance) C4'-P energy: -19.366
bonds (distance) P-C4' energy: -23.039
flat angles C4'-P-C4' energy: -24.406
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -18.550
Dist. restrs. and SS energy: 1.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -290.893770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.893770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.900870 (E_RNA)
where:
Base-Base interactions energy: -206.070
where: short stacking energy: -76.272
Base-Backbone interact. energy: -0.379
local terms energy: -84.452338
where:
bonds (distance) C4'-P energy: -18.830
bonds (distance) P-C4' energy: -18.810
flat angles C4'-P-C4' energy: -21.855
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -14.040
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: 1
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -270.451618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.451618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.893984 (E_RNA)
where:
Base-Base interactions energy: -177.874
where: short stacking energy: -75.108
Base-Backbone interact. energy: -0.098
local terms energy: -93.922048
where:
bonds (distance) C4'-P energy: -21.787
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -21.831
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -20.997
Dist. restrs. and SS energy: 1.442 (S_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: 206
Temperature: 1.250000
Total energy: -246.805469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.805469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.408447 (E_RNA)
where:
Base-Base interactions energy: -185.165
where: short stacking energy: -79.422
Base-Backbone interact. energy: 2.693
local terms energy: -66.936036
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -15.476
Dist. restrs. and SS energy: 2.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -237.125540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.125540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.961889 (E_RNA)
where:
Base-Base interactions energy: -167.160
where: short stacking energy: -68.973
Base-Backbone interact. energy: 0.326
local terms energy: -72.127542
where:
bonds (distance) C4'-P energy: -20.301
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -10.786
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -13.498
Dist. restrs. and SS energy: 1.836 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -190.785975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.785975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.701933 (E_RNA)
where:
Base-Base interactions energy: -112.627
where: short stacking energy: -47.184
Base-Backbone interact. energy: 0.056
local terms energy: -81.131124
where:
bonds (distance) C4'-P energy: -19.441
bonds (distance) P-C4' energy: -23.388
flat angles C4'-P-C4' energy: -19.131
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -5.749
Dist. restrs. and SS energy: 2.916 (S_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: 207
Temperature: 0.900000
Total energy: -365.337935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.337935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.320736 (E_RNA)
where:
Base-Base interactions energy: -258.744
where: short stacking energy: -97.529
Base-Backbone interact. energy: -1.097
local terms energy: -106.479788
where:
bonds (distance) C4'-P energy: -19.871
bonds (distance) P-C4' energy: -23.127
flat angles C4'-P-C4' energy: -23.625
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -26.992
Dist. restrs. and SS energy: 0.983 (S_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: 207
Temperature: 0.950000
Total energy: -356.510161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.510161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.065884 (E_RNA)
where:
Base-Base interactions energy: -239.108
where: short stacking energy: -101.837
Base-Backbone interact. energy: -0.257
local terms energy: -117.700244
where:
bonds (distance) C4'-P energy: -24.796
bonds (distance) P-C4' energy: -24.030
flat angles C4'-P-C4' energy: -24.726
flat angles P-C4'-P energy: -14.547
tors. eta vs tors. theta energy: -29.602
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: 3, replica: 10
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -339.264344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.264344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.513518 (E_RNA)
where:
Base-Base interactions energy: -227.532
where: short stacking energy: -95.670
Base-Backbone interact. energy: 0.360
local terms energy: -113.341803
where:
bonds (distance) C4'-P energy: -22.512
bonds (distance) P-C4' energy: -20.706
flat angles C4'-P-C4' energy: -26.054
flat angles P-C4'-P energy: -16.035
tors. eta vs tors. theta energy: -28.036
Dist. restrs. and SS energy: 1.249 (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: 2
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -302.852595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.852595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.150226 (E_RNA)
where:
Base-Base interactions energy: -216.618
where: short stacking energy: -79.490
Base-Backbone interact. energy: -1.038
local terms energy: -86.493960
where:
bonds (distance) C4'-P energy: -21.693
bonds (distance) P-C4' energy: -20.303
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -17.255
tors. eta vs tors. theta energy: -12.810
Dist. restrs. and SS energy: 1.298 (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: 8
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -345.140704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.140704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.723379 (E_RNA)
where:
Base-Base interactions energy: -231.767
where: short stacking energy: -89.974
Base-Backbone interact. energy: -0.276
local terms energy: -113.680742
where:
bonds (distance) C4'-P energy: -22.869
bonds (distance) P-C4' energy: -19.618
flat angles C4'-P-C4' energy: -24.464
flat angles P-C4'-P energy: -18.322
tors. eta vs tors. theta energy: -28.408
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: 1
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -310.548598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.548598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.478271 (E_RNA)
where:
Base-Base interactions energy: -214.104
where: short stacking energy: -89.346
Base-Backbone interact. energy: -1.054
local terms energy: -97.320935
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -23.811
flat angles C4'-P-C4' energy: -21.114
flat angles P-C4'-P energy: -17.521
tors. eta vs tors. theta energy: -20.205
Dist. restrs. and SS energy: 1.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -284.930769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.930769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.088494 (E_RNA)
where:
Base-Base interactions energy: -190.761
where: short stacking energy: -71.159
Base-Backbone interact. energy: -0.209
local terms energy: -94.117734
where:
bonds (distance) C4'-P energy: -23.877
bonds (distance) P-C4' energy: -18.247
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -16.808
tors. eta vs tors. theta energy: -18.517
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: 8, replica: 3
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -254.274635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.274635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.428194 (E_RNA)
where:
Base-Base interactions energy: -168.834
where: short stacking energy: -80.936
Base-Backbone interact. energy: -0.246
local terms energy: -89.348937
where:
bonds (distance) C4'-P energy: -19.325
bonds (distance) P-C4' energy: -22.485
flat angles C4'-P-C4' energy: -20.155
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -15.619
Dist. restrs. and SS energy: 4.154 (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: 7
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -229.960383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.960383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.627843 (E_RNA)
where:
Base-Base interactions energy: -154.031
where: short stacking energy: -69.049
Base-Backbone interact. energy: -0.476
local terms energy: -80.120911
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -14.483
tors. eta vs tors. theta energy: -17.638
Dist. restrs. and SS energy: 4.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -200.774792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.774792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.041662 (E_RNA)
where:
Base-Base interactions energy: -131.102
where: short stacking energy: -57.312
Base-Backbone interact. energy: 1.838
local terms energy: -78.777963
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -21.980
flat angles C4'-P-C4' energy: -18.428
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -9.228
Dist. restrs. and SS energy: 7.267 (S_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: 208
Temperature: 0.900000
Total energy: -370.362970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.362970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.789689 (E_RNA)
where:
Base-Base interactions energy: -261.679
where: short stacking energy: -102.172
Base-Backbone interact. energy: -0.759
local terms energy: -109.352147
where:
bonds (distance) C4'-P energy: -21.492
bonds (distance) P-C4' energy: -19.402
flat angles C4'-P-C4' energy: -26.256
flat angles P-C4'-P energy: -14.077
tors. eta vs tors. theta energy: -28.125
Dist. restrs. and SS energy: 1.427 (S_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: 208
Temperature: 0.950000
Total energy: -358.175420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.175420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.288000 (E_RNA)
where:
Base-Base interactions energy: -252.984
where: short stacking energy: -102.532
Base-Backbone interact. energy: -0.227
local terms energy: -106.076732
where:
bonds (distance) C4'-P energy: -22.745
bonds (distance) P-C4' energy: -20.820
flat angles C4'-P-C4' energy: -22.667
flat angles P-C4'-P energy: -13.589
tors. eta vs tors. theta energy: -26.256
Dist. restrs. and SS energy: 1.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -341.760297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.760297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.888697 (E_RNA)
where:
Base-Base interactions energy: -228.176
where: short stacking energy: -80.050
Base-Backbone interact. energy: -0.661
local terms energy: -113.052093
where:
bonds (distance) C4'-P energy: -23.809
bonds (distance) P-C4' energy: -23.885
flat angles C4'-P-C4' energy: -24.602
flat angles P-C4'-P energy: -15.365
tors. eta vs tors. theta energy: -25.390
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: 4, replica: 2
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -305.131079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.131079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.504175 (E_RNA)
where:
Base-Base interactions energy: -203.532
where: short stacking energy: -78.652
Base-Backbone interact. energy: -0.221
local terms energy: -103.750933
where:
bonds (distance) C4'-P energy: -24.350
bonds (distance) P-C4' energy: -18.511
flat angles C4'-P-C4' energy: -23.626
flat angles P-C4'-P energy: -14.819
tors. eta vs tors. theta energy: -22.445
Dist. restrs. and SS energy: 2.373 (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: 8
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -331.510381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.510381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.172815 (E_RNA)
where:
Base-Base interactions energy: -230.687
where: short stacking energy: -86.508
Base-Backbone interact. energy: -0.562
local terms energy: -100.923583
where:
bonds (distance) C4'-P energy: -19.897
bonds (distance) P-C4' energy: -20.513
flat angles C4'-P-C4' energy: -24.603
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -27.122
Dist. restrs. and SS energy: 0.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -282.494885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.494885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.888268 (E_RNA)
where:
Base-Base interactions energy: -192.923
where: short stacking energy: -82.590
Base-Backbone interact. energy: -0.823
local terms energy: -92.141574
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -21.744
flat angles P-C4'-P energy: -14.079
tors. eta vs tors. theta energy: -23.522
Dist. restrs. and SS energy: 3.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -283.212977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.212977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.590844 (E_RNA)
where:
Base-Base interactions energy: -191.783
where: short stacking energy: -69.482
Base-Backbone interact. energy: -1.062
local terms energy: -90.745943
where:
bonds (distance) C4'-P energy: -22.390
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -19.195
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -20.301
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: 8, replica: 3
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -265.503083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.503083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.790800 (E_RNA)
where:
Base-Base interactions energy: -180.642
where: short stacking energy: -79.841
Base-Backbone interact. energy: -0.401
local terms energy: -88.747110
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -19.579
flat angles C4'-P-C4' energy: -17.293
flat angles P-C4'-P energy: -15.997
tors. eta vs tors. theta energy: -22.002
Dist. restrs. and SS energy: 4.288 (S_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: 208
Temperature: 1.300000
Total energy: -242.709629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.709629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.148887 (E_RNA)
where:
Base-Base interactions energy: -158.911
where: short stacking energy: -72.996
Base-Backbone interact. energy: -0.349
local terms energy: -87.889272
where:
bonds (distance) C4'-P energy: -18.081
bonds (distance) P-C4' energy: -22.856
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -21.994
Dist. restrs. and SS energy: 4.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -205.467849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.467849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.368883 (E_RNA)
where:
Base-Base interactions energy: -129.269
where: short stacking energy: -48.096
Base-Backbone interact. energy: -0.506
local terms energy: -76.593614
where:
bonds (distance) C4'-P energy: -24.151
bonds (distance) P-C4' energy: -16.344
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -9.048
Dist. restrs. and SS energy: 0.901 (S_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: 209
Temperature: 0.900000
Total energy: -367.156611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.156611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.350642 (E_RNA)
where:
Base-Base interactions energy: -262.216
where: short stacking energy: -110.200
Base-Backbone interact. energy: -0.114
local terms energy: -106.020791
where:
bonds (distance) C4'-P energy: -19.457
bonds (distance) P-C4' energy: -20.899
flat angles C4'-P-C4' energy: -21.770
flat angles P-C4'-P energy: -16.186
tors. eta vs tors. theta energy: -27.709
Dist. restrs. and SS energy: 1.194 (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: 9
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -366.419534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.419534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.055883 (E_RNA)
where:
Base-Base interactions energy: -253.223
where: short stacking energy: -91.907
Base-Backbone interact. energy: -1.678
local terms energy: -112.155561
where:
bonds (distance) C4'-P energy: -23.593
bonds (distance) P-C4' energy: -24.841
flat angles C4'-P-C4' energy: -20.068
flat angles P-C4'-P energy: -16.426
tors. eta vs tors. theta energy: -27.227
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: 10
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -359.853475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.853475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.761420 (E_RNA)
where:
Base-Base interactions energy: -241.888
where: short stacking energy: -92.920
Base-Backbone interact. energy: -1.478
local terms energy: -117.395091
where:
bonds (distance) C4'-P energy: -19.667
bonds (distance) P-C4' energy: -23.640
flat angles C4'-P-C4' energy: -23.571
flat angles P-C4'-P energy: -21.667
tors. eta vs tors. theta energy: -28.850
Dist. restrs. and SS energy: 0.908 (S_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: 209
Temperature: 1.050000
Total energy: -350.211043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.211043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.897139 (E_RNA)
where:
Base-Base interactions energy: -239.961
where: short stacking energy: -86.843
Base-Backbone interact. energy: -0.548
local terms energy: -110.387896
where:
bonds (distance) C4'-P energy: -18.323
bonds (distance) P-C4' energy: -23.270
flat angles C4'-P-C4' energy: -23.858
flat angles P-C4'-P energy: -14.436
tors. eta vs tors. theta energy: -30.501
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: 5, replica: 2
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -300.300937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.300937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.502614 (E_RNA)
where:
Base-Base interactions energy: -201.748
where: short stacking energy: -76.194
Base-Backbone interact. energy: -0.567
local terms energy: -98.187016
where:
bonds (distance) C4'-P energy: -21.924
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -22.610
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -22.424
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: 6
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -298.416047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.416047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.429896 (E_RNA)
where:
Base-Base interactions energy: -196.046
where: short stacking energy: -75.977
Base-Backbone interact. energy: 0.187
local terms energy: -102.571046
where:
bonds (distance) C4'-P energy: -21.786
bonds (distance) P-C4' energy: -20.584
flat angles C4'-P-C4' energy: -22.346
flat angles P-C4'-P energy: -18.308
tors. eta vs tors. theta energy: -19.547
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: 1
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -288.210206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.210206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.903262 (E_RNA)
where:
Base-Base interactions energy: -195.035
where: short stacking energy: -79.823
Base-Backbone interact. energy: -0.223
local terms energy: -93.644928
where:
bonds (distance) C4'-P energy: -18.082
bonds (distance) P-C4' energy: -19.501
flat angles C4'-P-C4' energy: -22.975
flat angles P-C4'-P energy: -14.867
tors. eta vs tors. theta energy: -18.221
Dist. restrs. and SS energy: 0.693 (S_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: 209
Temperature: 1.250000
Total energy: -251.560745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.560745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.291598 (E_RNA)
where:
Base-Base interactions energy: -172.261
where: short stacking energy: -74.041
Base-Backbone interact. energy: -0.099
local terms energy: -82.931529
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -23.695
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -19.945
Dist. restrs. and SS energy: 3.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -259.240148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.240148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.068692 (E_RNA)
where:
Base-Base interactions energy: -176.030
where: short stacking energy: -73.621
Base-Backbone interact. energy: -0.141
local terms energy: -88.897489
where:
bonds (distance) C4'-P energy: -19.118
bonds (distance) P-C4' energy: -20.024
flat angles C4'-P-C4' energy: -19.572
flat angles P-C4'-P energy: -14.880
tors. eta vs tors. theta energy: -15.303
Dist. restrs. and SS energy: 5.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -216.248002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.248002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.190669 (E_RNA)
where:
Base-Base interactions energy: -134.945
where: short stacking energy: -65.103
Base-Backbone interact. energy: -1.081
local terms energy: -83.164956
where:
bonds (distance) C4'-P energy: -20.691
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -21.053
flat angles P-C4'-P energy: -14.220
tors. eta vs tors. theta energy: -11.070
Dist. restrs. and SS energy: 2.943 (S_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: 210
Temperature: 0.900000
Total energy: -372.212396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.212396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.951097 (E_RNA)
where:
Base-Base interactions energy: -257.870
where: short stacking energy: -100.192
Base-Backbone interact. energy: -0.795
local terms energy: -115.286475
where:
bonds (distance) C4'-P energy: -25.691
bonds (distance) P-C4' energy: -23.264
flat angles C4'-P-C4' energy: -23.169
flat angles P-C4'-P energy: -16.143
tors. eta vs tors. theta energy: -27.019
Dist. restrs. and SS energy: 1.739 (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: 4
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -360.586042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.586042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.091495 (E_RNA)
where:
Base-Base interactions energy: -263.440
where: short stacking energy: -94.414
Base-Backbone interact. energy: -0.597
local terms energy: -97.054967
where:
bonds (distance) C4'-P energy: -18.078
bonds (distance) P-C4' energy: -17.705
flat angles C4'-P-C4' energy: -21.645
flat angles P-C4'-P energy: -14.213
tors. eta vs tors. theta energy: -25.414
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: 3, replica: 8
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -355.857720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.857720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.311129 (E_RNA)
where:
Base-Base interactions energy: -250.848
where: short stacking energy: -92.921
Base-Backbone interact. energy: -0.583
local terms energy: -104.879863
where:
bonds (distance) C4'-P energy: -20.126
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -26.801
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -32.405
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: 4, replica: 10
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -356.209265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.209265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.134756 (E_RNA)
where:
Base-Base interactions energy: -249.600
where: short stacking energy: -96.102
Base-Backbone interact. energy: 0.294
local terms energy: -108.828357
where:
bonds (distance) C4'-P energy: -22.781
bonds (distance) P-C4' energy: -18.229
flat angles C4'-P-C4' energy: -24.054
flat angles P-C4'-P energy: -16.997
tors. eta vs tors. theta energy: -26.768
Dist. restrs. and SS energy: 1.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -327.432193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.432193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.448445 (E_RNA)
where:
Base-Base interactions energy: -224.202
where: short stacking energy: -81.973
Base-Backbone interact. energy: -0.253
local terms energy: -102.993181
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -22.405
flat angles C4'-P-C4' energy: -20.634
flat angles P-C4'-P energy: -14.156
tors. eta vs tors. theta energy: -28.718
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: 2
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -303.006721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.006721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.328241 (E_RNA)
where:
Base-Base interactions energy: -202.840
where: short stacking energy: -81.469
Base-Backbone interact. energy: -0.536
local terms energy: -100.952562
where:
bonds (distance) C4'-P energy: -19.949
bonds (distance) P-C4' energy: -25.737
flat angles C4'-P-C4' energy: -23.619
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -18.440
Dist. restrs. and SS energy: 1.322 (S_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: 210
Temperature: 1.200000
Total energy: -267.037878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.037878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.256422 (E_RNA)
where:
Base-Base interactions energy: -185.151
where: short stacking energy: -68.753
Base-Backbone interact. energy: 0.765
local terms energy: -87.869799
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -21.562
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -17.972
tors. eta vs tors. theta energy: -18.623
Dist. restrs. and SS energy: 5.219 (S_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: 210
Temperature: 1.250000
Total energy: -258.733022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.733022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.088850 (E_RNA)
where:
Base-Base interactions energy: -170.028
where: short stacking energy: -81.205
Base-Backbone interact. energy: -0.310
local terms energy: -89.750316
where:
bonds (distance) C4'-P energy: -18.261
bonds (distance) P-C4' energy: -18.951
flat angles C4'-P-C4' energy: -17.715
flat angles P-C4'-P energy: -14.450
tors. eta vs tors. theta energy: -20.373
Dist. restrs. and SS energy: 1.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -261.761804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.761804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.974861 (E_RNA)
where:
Base-Base interactions energy: -183.955
where: short stacking energy: -76.081
Base-Backbone interact. energy: -0.484
local terms energy: -79.535439
where:
bonds (distance) C4'-P energy: -9.394
bonds (distance) P-C4' energy: -16.944
flat angles C4'-P-C4' energy: -26.786
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -17.443
Dist. restrs. and SS energy: 2.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -222.886056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.886056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.916430 (E_RNA)
where:
Base-Base interactions energy: -150.683
where: short stacking energy: -55.400
Base-Backbone interact. energy: -0.569
local terms energy: -73.664815
where:
bonds (distance) C4'-P energy: -17.614
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -13.553
Dist. restrs. and SS energy: 2.030 (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: 9
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -362.534587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.534587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.496832 (E_RNA)
where:
Base-Base interactions energy: -250.277
where: short stacking energy: -103.756
Base-Backbone interact. energy: 0.328
local terms energy: -114.547240
where:
bonds (distance) C4'-P energy: -25.779
bonds (distance) P-C4' energy: -25.257
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -15.468
tors. eta vs tors. theta energy: -30.782
Dist. restrs. and SS energy: 1.962 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -363.140024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.140024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.910490 (E_RNA)
where:
Base-Base interactions energy: -250.574
where: short stacking energy: -97.738
Base-Backbone interact. energy: -1.009
local terms energy: -112.327550
where:
bonds (distance) C4'-P energy: -19.284
bonds (distance) P-C4' energy: -22.337
flat angles C4'-P-C4' energy: -24.376
flat angles P-C4'-P energy: -20.084
tors. eta vs tors. theta energy: -26.247
Dist. restrs. and SS energy: 0.770 (S_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: 211
Temperature: 1.000000
Total energy: -357.867622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.867622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.664362 (E_RNA)
where:
Base-Base interactions energy: -252.207
where: short stacking energy: -95.397
Base-Backbone interact. energy: -0.251
local terms energy: -106.205722
where:
bonds (distance) C4'-P energy: -19.061
bonds (distance) P-C4' energy: -22.576
flat angles C4'-P-C4' energy: -19.877
flat angles P-C4'-P energy: -19.508
tors. eta vs tors. theta energy: -25.184
Dist. restrs. and SS energy: 0.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -353.441303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.441303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.594713 (E_RNA)
where:
Base-Base interactions energy: -243.194
where: short stacking energy: -94.515
Base-Backbone interact. energy: -0.168
local terms energy: -111.232642
where:
bonds (distance) C4'-P energy: -20.242
bonds (distance) P-C4' energy: -23.711
flat angles C4'-P-C4' energy: -24.781
flat angles P-C4'-P energy: -17.377
tors. eta vs tors. theta energy: -25.122
Dist. restrs. and SS energy: 1.153 (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: 6
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -320.938360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.938360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.011303 (E_RNA)
where:
Base-Base interactions energy: -229.000
where: short stacking energy: -85.400
Base-Backbone interact. energy: -1.043
local terms energy: -90.968347
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -22.811
flat angles C4'-P-C4' energy: -19.094
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -22.996
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: 7
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -288.064578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.064578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.129612 (E_RNA)
where:
Base-Base interactions energy: -193.868
where: short stacking energy: -79.047
Base-Backbone interact. energy: -0.205
local terms energy: -96.056580
where:
bonds (distance) C4'-P energy: -21.896
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -26.382
Dist. restrs. and SS energy: 2.065 (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: 211
Temperature: 1.200000
Total energy: -258.741487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.741487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.851896 (E_RNA)
where:
Base-Base interactions energy: -181.119
where: short stacking energy: -65.066
Base-Backbone interact. energy: 0.066
local terms energy: -78.799053
where:
bonds (distance) C4'-P energy: -20.749
bonds (distance) P-C4' energy: -20.193
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -15.346
Dist. restrs. and SS energy: 1.110 (S_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: 211
Temperature: 1.250000
Total energy: -264.282150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.282150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.623879 (E_RNA)
where:
Base-Base interactions energy: -180.396
where: short stacking energy: -69.573
Base-Backbone interact. energy: -0.718
local terms energy: -83.510170
where:
bonds (distance) C4'-P energy: -16.460
bonds (distance) P-C4' energy: -21.669
flat angles C4'-P-C4' energy: -21.584
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -12.005
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: 9, replica: 1
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -221.968507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.968507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.408333 (E_RNA)
where:
Base-Base interactions energy: -150.331
where: short stacking energy: -55.516
Base-Backbone interact. energy: -1.660
local terms energy: -70.417053
where:
bonds (distance) C4'-P energy: -21.895
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -19.695
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -6.091
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: 10, replica: 5
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -202.336616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.336616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.421995 (E_RNA)
where:
Base-Base interactions energy: -125.681
where: short stacking energy: -48.411
Base-Backbone interact. energy: -0.557
local terms energy: -77.183833
where:
bonds (distance) C4'-P energy: -21.154
bonds (distance) P-C4' energy: -19.803
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -19.746
tors. eta vs tors. theta energy: -2.486
Dist. restrs. and SS energy: 1.085 (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: 8
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -360.426831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.426831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.351076 (E_RNA)
where:
Base-Base interactions energy: -250.655
where: short stacking energy: -99.860
Base-Backbone interact. energy: -0.572
local terms energy: -110.123520
where:
bonds (distance) C4'-P energy: -23.339
bonds (distance) P-C4' energy: -24.486
flat angles C4'-P-C4' energy: -22.728
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -28.874
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: 2, replica: 9
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -363.485509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.485509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.556197 (E_RNA)
where:
Base-Base interactions energy: -250.916
where: short stacking energy: -98.995
Base-Backbone interact. energy: -0.510
local terms energy: -113.130863
where:
bonds (distance) C4'-P energy: -21.205
bonds (distance) P-C4' energy: -23.577
flat angles C4'-P-C4' energy: -25.959
flat angles P-C4'-P energy: -15.844
tors. eta vs tors. theta energy: -26.546
Dist. restrs. and SS energy: 1.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -355.701713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.701713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.938079 (E_RNA)
where:
Base-Base interactions energy: -244.859
where: short stacking energy: -98.662
Base-Backbone interact. energy: -0.920
local terms energy: -111.159489
where:
bonds (distance) C4'-P energy: -22.689
bonds (distance) P-C4' energy: -21.673
flat angles C4'-P-C4' energy: -24.546
flat angles P-C4'-P energy: -14.228
tors. eta vs tors. theta energy: -28.024
Dist. restrs. and SS energy: 1.236 (S_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: 212
Temperature: 1.050000
Total energy: -346.857069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.857069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.239390 (E_RNA)
where:
Base-Base interactions energy: -238.655
where: short stacking energy: -100.063
Base-Backbone interact. energy: -1.492
local terms energy: -108.093162
where:
bonds (distance) C4'-P energy: -18.430
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -23.378
flat angles P-C4'-P energy: -18.085
tors. eta vs tors. theta energy: -27.408
Dist. restrs. and SS energy: 1.382 (S_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: 212
Temperature: 1.100000
Total energy: -300.713762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.713762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.930194 (E_RNA)
where:
Base-Base interactions energy: -209.217
where: short stacking energy: -85.546
Base-Backbone interact. energy: 0.130
local terms energy: -93.842875
where:
bonds (distance) C4'-P energy: -18.707
bonds (distance) P-C4' energy: -22.578
flat angles C4'-P-C4' energy: -19.982
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: -17.096
Dist. restrs. and SS energy: 2.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -297.880147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.880147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.033235 (E_RNA)
where:
Base-Base interactions energy: -216.778
where: short stacking energy: -79.097
Base-Backbone interact. energy: -1.088
local terms energy: -80.167479
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -17.847
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -19.854
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: 7, replica: 2
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -258.905451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.905451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.104227 (E_RNA)
where:
Base-Base interactions energy: -166.314
where: short stacking energy: -65.550
Base-Backbone interact. energy: -0.845
local terms energy: -91.945285
where:
bonds (distance) C4'-P energy: -20.481
bonds (distance) P-C4' energy: -21.994
flat angles C4'-P-C4' energy: -22.842
flat angles P-C4'-P energy: -15.810
tors. eta vs tors. theta energy: -10.819
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: 8, replica: 3
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -245.697962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.697962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.580078 (E_RNA)
where:
Base-Base interactions energy: -158.191
where: short stacking energy: -56.072
Base-Backbone interact. energy: -0.429
local terms energy: -87.960164
where:
bonds (distance) C4'-P energy: -19.810
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -15.465
tors. eta vs tors. theta energy: -15.634
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: 9, replica: 1
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -236.109822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.109822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.795076 (E_RNA)
where:
Base-Base interactions energy: -165.971
where: short stacking energy: -59.231
Base-Backbone interact. energy: 0.954
local terms energy: -71.777582
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -7.239
Dist. restrs. and SS energy: 0.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -210.185204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.185204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.935152 (E_RNA)
where:
Base-Base interactions energy: -134.656
where: short stacking energy: -62.148
Base-Backbone interact. energy: -0.341
local terms energy: -76.937609
where:
bonds (distance) C4'-P energy: -19.982
bonds (distance) P-C4' energy: -20.110
flat angles C4'-P-C4' energy: -19.352
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -8.832
Dist. restrs. and SS energy: 1.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -364.166032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.166032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.471211 (E_RNA)
where:
Base-Base interactions energy: -255.077
where: short stacking energy: -95.866
Base-Backbone interact. energy: -1.194
local terms energy: -109.200234
where:
bonds (distance) C4'-P energy: -20.410
bonds (distance) P-C4' energy: -25.265
flat angles C4'-P-C4' energy: -23.976
flat angles P-C4'-P energy: -14.415
tors. eta vs tors. theta energy: -25.134
Dist. restrs. and SS energy: 1.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -360.822036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.822036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.703232 (E_RNA)
where:
Base-Base interactions energy: -244.566
where: short stacking energy: -105.256
Base-Backbone interact. energy: -0.100
local terms energy: -117.037365
where:
bonds (distance) C4'-P energy: -18.809
bonds (distance) P-C4' energy: -27.520
flat angles C4'-P-C4' energy: -23.898
flat angles P-C4'-P energy: -18.546
tors. eta vs tors. theta energy: -28.264
Dist. restrs. and SS energy: 0.881 (S_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: 213
Temperature: 1.000000
Total energy: -351.808038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.808038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.889293 (E_RNA)
where:
Base-Base interactions energy: -235.335
where: short stacking energy: -97.305
Base-Backbone interact. energy: -0.708
local terms energy: -117.845660
where:
bonds (distance) C4'-P energy: -20.392
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -25.870
flat angles P-C4'-P energy: -21.323
tors. eta vs tors. theta energy: -32.093
Dist. restrs. and SS energy: 2.081 (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: 4
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -340.513150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.513150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.012339 (E_RNA)
where:
Base-Base interactions energy: -240.323
where: short stacking energy: -88.711
Base-Backbone interact. energy: -0.862
local terms energy: -99.827428
where:
bonds (distance) C4'-P energy: -18.485
bonds (distance) P-C4' energy: -20.069
flat angles C4'-P-C4' energy: -19.401
flat angles P-C4'-P energy: -13.144
tors. eta vs tors. theta energy: -28.729
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: 5, replica: 7
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -313.144392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.144392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.758832 (E_RNA)
where:
Base-Base interactions energy: -216.014
where: short stacking energy: -79.588
Base-Backbone interact. energy: -0.323
local terms energy: -98.421926
where:
bonds (distance) C4'-P energy: -24.627
bonds (distance) P-C4' energy: -23.855
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -19.701
Dist. restrs. and SS energy: 1.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -319.010691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.010691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.513542 (E_RNA)
where:
Base-Base interactions energy: -218.067
where: short stacking energy: -82.030
Base-Backbone interact. energy: -1.571
local terms energy: -99.875193
where:
bonds (distance) C4'-P energy: -22.410
bonds (distance) P-C4' energy: -24.291
flat angles C4'-P-C4' energy: -18.324
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -25.176
Dist. restrs. and SS energy: 0.503 (S_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: 213
Temperature: 1.200000
Total energy: -251.135830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.135830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.207494 (E_RNA)
where:
Base-Base interactions energy: -159.558
where: short stacking energy: -74.457
Base-Backbone interact. energy: -0.475
local terms energy: -96.174889
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -24.930
flat angles C4'-P-C4' energy: -20.299
flat angles P-C4'-P energy: -14.236
tors. eta vs tors. theta energy: -19.134
Dist. restrs. and SS energy: 5.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -257.644484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.644484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.070987 (E_RNA)
where:
Base-Base interactions energy: -166.363
where: short stacking energy: -74.504
Base-Backbone interact. energy: -0.771
local terms energy: -93.936864
where:
bonds (distance) C4'-P energy: -17.325
bonds (distance) P-C4' energy: -23.293
flat angles C4'-P-C4' energy: -18.165
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -21.633
Dist. restrs. and SS energy: 3.427 (S_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: 213
Temperature: 1.300000
Total energy: -242.679805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.679805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.651351 (E_RNA)
where:
Base-Base interactions energy: -170.155
where: short stacking energy: -68.335
Base-Backbone interact. energy: -1.288
local terms energy: -73.208147
where:
bonds (distance) C4'-P energy: -21.005
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -21.118
flat angles P-C4'-P energy: -4.260
tors. eta vs tors. theta energy: -14.042
Dist. restrs. and SS energy: 1.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -220.384323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.384323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.857352 (E_RNA)
where:
Base-Base interactions energy: -140.751
where: short stacking energy: -53.409
Base-Backbone interact. energy: 0.820
local terms energy: -83.926610
where:
bonds (distance) C4'-P energy: -17.988
bonds (distance) P-C4' energy: -24.082
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -16.981
tors. eta vs tors. theta energy: -8.144
Dist. restrs. and SS energy: 3.473 (S_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: 214
Temperature: 0.900000
Total energy: -365.631017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.631017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.978593 (E_RNA)
where:
Base-Base interactions energy: -249.362
where: short stacking energy: -100.594
Base-Backbone interact. energy: 0.369
local terms energy: -116.986054
where:
bonds (distance) C4'-P energy: -23.229
bonds (distance) P-C4' energy: -27.203
flat angles C4'-P-C4' energy: -22.146
flat angles P-C4'-P energy: -17.069
tors. eta vs tors. theta energy: -27.338
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: 2, replica: 8
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -351.930873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.930873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.292063 (E_RNA)
where:
Base-Base interactions energy: -254.226
where: short stacking energy: -97.037
Base-Backbone interact. energy: 1.307
local terms energy: -100.372264
where:
bonds (distance) C4'-P energy: -18.014
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -20.374
flat angles P-C4'-P energy: -16.051
tors. eta vs tors. theta energy: -28.453
Dist. restrs. and SS energy: 1.361 (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: 214
Temperature: 1.000000
Total energy: -355.686359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.686359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.176817 (E_RNA)
where:
Base-Base interactions energy: -255.383
where: short stacking energy: -94.929
Base-Backbone interact. energy: -0.475
local terms energy: -101.319154
where:
bonds (distance) C4'-P energy: -23.965
bonds (distance) P-C4' energy: -22.094
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -13.982
tors. eta vs tors. theta energy: -27.816
Dist. restrs. and SS energy: 1.490 (S_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: 214
Temperature: 1.050000
Total energy: -353.346257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.346257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.229072 (E_RNA)
where:
Base-Base interactions energy: -253.969
where: short stacking energy: -94.184
Base-Backbone interact. energy: -3.004
local terms energy: -97.256627
where:
bonds (distance) C4'-P energy: -18.762
bonds (distance) P-C4' energy: -19.333
flat angles C4'-P-C4' energy: -21.143
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -27.884
Dist. restrs. and SS energy: 0.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -337.486200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.486200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.538881 (E_RNA)
where:
Base-Base interactions energy: -232.959
where: short stacking energy: -91.774
Base-Backbone interact. energy: -0.381
local terms energy: -105.198175
where:
bonds (distance) C4'-P energy: -17.679
bonds (distance) P-C4' energy: -25.021
flat angles C4'-P-C4' energy: -24.530
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -26.439
Dist. restrs. and SS energy: 1.053 (S_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: 214
Temperature: 1.150000
Total energy: -298.960092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.960092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.532179 (E_RNA)
where:
Base-Base interactions energy: -196.607
where: short stacking energy: -80.830
Base-Backbone interact. energy: -0.084
local terms energy: -102.841367
where:
bonds (distance) C4'-P energy: -18.985
bonds (distance) P-C4' energy: -25.917
flat angles C4'-P-C4' energy: -19.691
flat angles P-C4'-P energy: -16.993
tors. eta vs tors. theta energy: -21.255
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: 7, replica: 3
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -253.768152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.768152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.357870 (E_RNA)
where:
Base-Base interactions energy: -186.983
where: short stacking energy: -79.387
Base-Backbone interact. energy: -0.256
local terms energy: -68.118848
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -22.576
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -0.702
tors. eta vs tors. theta energy: -14.455
Dist. restrs. and SS energy: 1.590 (S_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: 214
Temperature: 1.250000
Total energy: -246.769366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.769366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.667870 (E_RNA)
where:
Base-Base interactions energy: -156.837
where: short stacking energy: -55.715
Base-Backbone interact. energy: -0.725
local terms energy: -93.105937
where:
bonds (distance) C4'-P energy: -18.187
bonds (distance) P-C4' energy: -24.314
flat angles C4'-P-C4' energy: -23.127
flat angles P-C4'-P energy: -14.822
tors. eta vs tors. theta energy: -12.656
Dist. restrs. and SS energy: 3.899 (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: 5
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -244.270933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.270933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.229888 (E_RNA)
where:
Base-Base interactions energy: -164.177
where: short stacking energy: -70.252
Base-Backbone interact. energy: -1.306
local terms energy: -84.746526
where:
bonds (distance) C4'-P energy: -18.368
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -20.850
flat angles P-C4'-P energy: -13.759
tors. eta vs tors. theta energy: -15.306
Dist. restrs. and SS energy: 5.959 (S_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: 214
Temperature: 1.350000
Total energy: -236.371578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.371578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.211977 (E_RNA)
where:
Base-Base interactions energy: -158.573
where: short stacking energy: -59.120
Base-Backbone interact. energy: -0.043
local terms energy: -80.595809
where:
bonds (distance) C4'-P energy: -17.548
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -15.134
Dist. restrs. and SS energy: 2.840 (S_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: 215
Temperature: 0.900000
Total energy: -361.514144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.514144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.986619 (E_RNA)
where:
Base-Base interactions energy: -239.435
where: short stacking energy: -91.021
Base-Backbone interact. energy: -0.364
local terms energy: -122.187247
where:
bonds (distance) C4'-P energy: -25.776
bonds (distance) P-C4' energy: -22.216
flat angles C4'-P-C4' energy: -26.395
flat angles P-C4'-P energy: -15.964
tors. eta vs tors. theta energy: -31.837
Dist. restrs. and SS energy: 0.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -359.615468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.615468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.156456 (E_RNA)
where:
Base-Base interactions energy: -243.744
where: short stacking energy: -99.389
Base-Backbone interact. energy: -0.817
local terms energy: -116.595407
where:
bonds (distance) C4'-P energy: -24.842
bonds (distance) P-C4' energy: -21.155
flat angles C4'-P-C4' energy: -24.300
flat angles P-C4'-P energy: -18.026
tors. eta vs tors. theta energy: -28.271
Dist. restrs. and SS energy: 1.541 (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: 4
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -359.603770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.603770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.360127 (E_RNA)
where:
Base-Base interactions energy: -258.477
where: short stacking energy: -94.506
Base-Backbone interact. energy: -0.667
local terms energy: -102.215479
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -23.872
flat angles C4'-P-C4' energy: -23.638
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -25.429
Dist. restrs. and SS energy: 1.756 (S_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: 215
Temperature: 1.050000
Total energy: -341.804376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.804376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.022935 (E_RNA)
where:
Base-Base interactions energy: -251.600
where: short stacking energy: -97.154
Base-Backbone interact. energy: -0.975
local terms energy: -90.447343
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -20.341
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -24.670
Dist. restrs. and SS energy: 1.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -334.088984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.088984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.834094 (E_RNA)
where:
Base-Base interactions energy: -226.095
where: short stacking energy: -94.784
Base-Backbone interact. energy: 0.217
local terms energy: -108.956281
where:
bonds (distance) C4'-P energy: -20.582
bonds (distance) P-C4' energy: -24.880
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -18.167
tors. eta vs tors. theta energy: -26.679
Dist. restrs. and SS energy: 0.745 (S_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: -282.430291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.430291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.856796 (E_RNA)
where:
Base-Base interactions energy: -193.177
where: short stacking energy: -78.948
Base-Backbone interact. energy: 1.437
local terms energy: -92.117661
where:
bonds (distance) C4'-P energy: -17.953
bonds (distance) P-C4' energy: -20.315
flat angles C4'-P-C4' energy: -22.491
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -15.539
Dist. restrs. and SS energy: 1.427 (S_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: 215
Temperature: 1.200000
Total energy: -243.358844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.358844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.267669 (E_RNA)
where:
Base-Base interactions energy: -173.665
where: short stacking energy: -57.966
Base-Backbone interact. energy: -1.735
local terms energy: -69.868158
where:
bonds (distance) C4'-P energy: -16.956
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -19.094
flat angles P-C4'-P energy: -14.900
tors. eta vs tors. theta energy: -7.358
Dist. restrs. and SS energy: 1.909 (S_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: 215
Temperature: 1.250000
Total energy: -251.686295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.686295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.569456 (E_RNA)
where:
Base-Base interactions energy: -169.863
where: short stacking energy: -68.439
Base-Backbone interact. energy: 1.519
local terms energy: -86.224606
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -21.784
flat angles C4'-P-C4' energy: -23.257
flat angles P-C4'-P energy: -15.763
tors. eta vs tors. theta energy: -11.231
Dist. restrs. and SS energy: 2.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -211.779935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.779935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.260299 (E_RNA)
where:
Base-Base interactions energy: -143.468
where: short stacking energy: -56.332
Base-Backbone interact. energy: -1.005
local terms energy: -70.787289
where:
bonds (distance) C4'-P energy: -18.692
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -6.454
Dist. restrs. and SS energy: 3.480 (S_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: 215
Temperature: 1.350000
Total energy: -227.163925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.163925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.683930 (E_RNA)
where:
Base-Base interactions energy: -146.108
where: short stacking energy: -56.279
Base-Backbone interact. energy: -0.208
local terms energy: -82.367828
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -22.628
flat angles C4'-P-C4' energy: -19.559
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -9.770
Dist. restrs. and SS energy: 1.520 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -360.765327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.765327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.174520 (E_RNA)
where:
Base-Base interactions energy: -245.851
where: short stacking energy: -100.919
Base-Backbone interact. energy: -0.919
local terms energy: -115.404905
where:
bonds (distance) C4'-P energy: -22.194
bonds (distance) P-C4' energy: -21.455
flat angles C4'-P-C4' energy: -26.189
flat angles P-C4'-P energy: -13.888
tors. eta vs tors. theta energy: -31.680
Dist. restrs. and SS energy: 1.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -362.123468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.123468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.171734 (E_RNA)
where:
Base-Base interactions energy: -255.905
where: short stacking energy: -95.807
Base-Backbone interact. energy: -0.406
local terms energy: -106.860270
where:
bonds (distance) C4'-P energy: -21.519
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -21.608
flat angles P-C4'-P energy: -16.010
tors. eta vs tors. theta energy: -29.513
Dist. restrs. and SS energy: 1.048 (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: 9
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -355.997078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.997078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.292261 (E_RNA)
where:
Base-Base interactions energy: -241.189
where: short stacking energy: -98.947
Base-Backbone interact. energy: -1.158
local terms energy: -114.944928
where:
bonds (distance) C4'-P energy: -22.868
bonds (distance) P-C4' energy: -24.648
flat angles C4'-P-C4' energy: -23.603
flat angles P-C4'-P energy: -17.580
tors. eta vs tors. theta energy: -26.245
Dist. restrs. and SS energy: 1.295 (S_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: 216
Temperature: 1.050000
Total energy: -345.820232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.820232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.156229 (E_RNA)
where:
Base-Base interactions energy: -245.070
where: short stacking energy: -95.247
Base-Backbone interact. energy: -0.635
local terms energy: -101.451569
where:
bonds (distance) C4'-P energy: -18.196
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -22.236
flat angles P-C4'-P energy: -17.277
tors. eta vs tors. theta energy: -27.210
Dist. restrs. and SS energy: 1.336 (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: 6
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -328.594903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.594903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.284825 (E_RNA)
where:
Base-Base interactions energy: -229.233
where: short stacking energy: -85.636
Base-Backbone interact. energy: -0.608
local terms energy: -100.444183
where:
bonds (distance) C4'-P energy: -19.597
bonds (distance) P-C4' energy: -20.743
flat angles C4'-P-C4' energy: -20.465
flat angles P-C4'-P energy: -15.552
tors. eta vs tors. theta energy: -24.088
Dist. restrs. and SS energy: 1.690 (S_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: -282.745510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.745510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.580354 (E_RNA)
where:
Base-Base interactions energy: -197.309
where: short stacking energy: -84.731
Base-Backbone interact. energy: 2.149
local terms energy: -92.420047
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -19.112
flat angles C4'-P-C4' energy: -23.533
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -20.534
Dist. restrs. and SS energy: 4.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -240.588492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.588492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.988197 (E_RNA)
where:
Base-Base interactions energy: -168.460
where: short stacking energy: -71.032
Base-Backbone interact. energy: -0.362
local terms energy: -75.166324
where:
bonds (distance) C4'-P energy: -14.341
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -21.567
flat angles P-C4'-P energy: -15.427
tors. eta vs tors. theta energy: -12.826
Dist. restrs. and SS energy: 3.400 (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: 3
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -249.455271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.455271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.538352 (E_RNA)
where:
Base-Base interactions energy: -165.650
where: short stacking energy: -68.152
Base-Backbone interact. energy: -0.779
local terms energy: -83.109318
where:
bonds (distance) C4'-P energy: -20.894
bonds (distance) P-C4' energy: -23.514
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -9.181
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: 2
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -237.434636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.434636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.997418 (E_RNA)
where:
Base-Base interactions energy: -156.428
where: short stacking energy: -69.124
Base-Backbone interact. energy: -1.296
local terms energy: -87.273374
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -22.696
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -21.657
Dist. restrs. and SS energy: 7.563 (S_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: 216
Temperature: 1.350000
Total energy: -213.804945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.804945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.564349 (E_RNA)
where:
Base-Base interactions energy: -151.341
where: short stacking energy: -48.828
Base-Backbone interact. energy: 4.813
local terms energy: -71.036850
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -20.084
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -13.776
tors. eta vs tors. theta energy: -6.092
Dist. restrs. and SS energy: 3.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -359.376123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.376123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.288219 (E_RNA)
where:
Base-Base interactions energy: -252.397
where: short stacking energy: -93.457
Base-Backbone interact. energy: -2.091
local terms energy: -105.800455
where:
bonds (distance) C4'-P energy: -19.886
bonds (distance) P-C4' energy: -22.311
flat angles C4'-P-C4' energy: -23.686
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -26.217
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: 2, replica: 9
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -358.401441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.401441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.730883 (E_RNA)
where:
Base-Base interactions energy: -254.116
where: short stacking energy: -95.744
Base-Backbone interact. energy: -0.884
local terms energy: -104.731625
where:
bonds (distance) C4'-P energy: -20.736
bonds (distance) P-C4' energy: -24.719
flat angles C4'-P-C4' energy: -20.547
flat angles P-C4'-P energy: -14.989
tors. eta vs tors. theta energy: -23.739
Dist. restrs. and SS energy: 1.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -363.299378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.299378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.621940 (E_RNA)
where:
Base-Base interactions energy: -252.643
where: short stacking energy: -98.004
Base-Backbone interact. energy: -0.500
local terms energy: -111.479316
where:
bonds (distance) C4'-P energy: -20.491
bonds (distance) P-C4' energy: -21.038
flat angles C4'-P-C4' energy: -23.070
flat angles P-C4'-P energy: -16.856
tors. eta vs tors. theta energy: -30.026
Dist. restrs. and SS energy: 1.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -351.119880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.119880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.372261 (E_RNA)
where:
Base-Base interactions energy: -249.526
where: short stacking energy: -101.238
Base-Backbone interact. energy: 0.856
local terms energy: -103.701534
where:
bonds (distance) C4'-P energy: -21.120
bonds (distance) P-C4' energy: -19.557
flat angles C4'-P-C4' energy: -20.340
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -30.845
Dist. restrs. and SS energy: 1.252 (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: 6
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -310.536834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.536834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.979889 (E_RNA)
where:
Base-Base interactions energy: -220.358
where: short stacking energy: -88.019
Base-Backbone interact. energy: -1.759
local terms energy: -89.863396
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -18.229
flat angles C4'-P-C4' energy: -23.552
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -21.168
Dist. restrs. and SS energy: 1.443 (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: 5
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -266.942539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.942539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.071605 (E_RNA)
where:
Base-Base interactions energy: -190.383
where: short stacking energy: -69.260
Base-Backbone interact. energy: 0.772
local terms energy: -78.460735
where:
bonds (distance) C4'-P energy: -15.330
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -15.030
tors. eta vs tors. theta energy: -15.848
Dist. restrs. and SS energy: 1.129 (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: 7
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -286.478171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.478171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.190217 (E_RNA)
where:
Base-Base interactions energy: -194.883
where: short stacking energy: -76.931
Base-Backbone interact. energy: 3.327
local terms energy: -96.633989
where:
bonds (distance) C4'-P energy: -20.369
bonds (distance) P-C4' energy: -21.537
flat angles C4'-P-C4' energy: -20.920
flat angles P-C4'-P energy: -13.943
tors. eta vs tors. theta energy: -19.865
Dist. restrs. and SS energy: 1.712 (S_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: 217
Temperature: 1.250000
Total energy: -245.458492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.458492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.783201 (E_RNA)
where:
Base-Base interactions energy: -163.272
where: short stacking energy: -67.015
Base-Backbone interact. energy: -0.724
local terms energy: -83.787325
where:
bonds (distance) C4'-P energy: -18.917
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -21.134
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -18.080
Dist. restrs. and SS energy: 2.325 (S_DIST_RNA)
chem. 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: -224.867127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.867127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.828813 (E_RNA)
where:
Base-Base interactions energy: -155.325
where: short stacking energy: -67.971
Base-Backbone interact. energy: -0.192
local terms energy: -74.312321
where:
bonds (distance) C4'-P energy: -20.586
bonds (distance) P-C4' energy: -18.187
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -6.580
tors. eta vs tors. theta energy: -14.418
Dist. restrs. and SS energy: 4.962 (S_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: 217
Temperature: 1.350000
Total energy: -212.922139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.922139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.449828 (E_RNA)
where:
Base-Base interactions energy: -148.036
where: short stacking energy: -68.733
Base-Backbone interact. energy: -0.258
local terms energy: -65.155932
where:
bonds (distance) C4'-P energy: -18.280
bonds (distance) P-C4' energy: -4.473
flat angles C4'-P-C4' energy: -22.851
flat angles P-C4'-P energy: -2.525
tors. eta vs tors. theta energy: -17.026
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: 1, replica: 9
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -355.150637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.150637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.245919 (E_RNA)
where:
Base-Base interactions energy: -242.170
where: short stacking energy: -97.125
Base-Backbone interact. energy: -0.578
local terms energy: -114.497551
where:
bonds (distance) C4'-P energy: -23.887
bonds (distance) P-C4' energy: -23.312
flat angles C4'-P-C4' energy: -24.792
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: -28.731
Dist. restrs. and SS energy: 2.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -357.319743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.319743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.999600 (E_RNA)
where:
Base-Base interactions energy: -247.822
where: short stacking energy: -98.970
Base-Backbone interact. energy: -1.552
local terms energy: -108.625738
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -24.876
flat angles C4'-P-C4' energy: -22.235
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -30.567
Dist. restrs. and SS energy: 0.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -342.857004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.857004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.442056 (E_RNA)
where:
Base-Base interactions energy: -239.506
where: short stacking energy: -84.403
Base-Backbone interact. energy: -1.376
local terms energy: -102.560059
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -25.142
flat angles C4'-P-C4' energy: -20.504
flat angles P-C4'-P energy: -15.596
tors. eta vs tors. theta energy: -23.802
Dist. restrs. and SS energy: 0.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -352.387269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.387269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.204975 (E_RNA)
where:
Base-Base interactions energy: -240.232
where: short stacking energy: -94.017
Base-Backbone interact. energy: -0.661
local terms energy: -113.312167
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -25.318
flat angles C4'-P-C4' energy: -23.673
flat angles P-C4'-P energy: -16.640
tors. eta vs tors. theta energy: -28.580
Dist. restrs. and SS energy: 1.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -327.308697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.308697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.961733 (E_RNA)
where:
Base-Base interactions energy: -227.675
where: short stacking energy: -92.221
Base-Backbone interact. energy: -1.189
local terms energy: -99.097508
where:
bonds (distance) C4'-P energy: -20.701
bonds (distance) P-C4' energy: -20.324
flat angles C4'-P-C4' energy: -19.871
flat angles P-C4'-P energy: -16.630
tors. eta vs tors. theta energy: -21.572
Dist. restrs. and SS energy: 0.653 (S_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: 218
Temperature: 1.150000
Total energy: -256.727459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.727459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.158537 (E_RNA)
where:
Base-Base interactions energy: -181.099
where: short stacking energy: -72.598
Base-Backbone interact. energy: 0.184
local terms energy: -78.244250
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -13.394
Dist. restrs. and SS energy: 2.431 (S_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: 218
Temperature: 1.200000
Total energy: -305.537387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.537387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.666128 (E_RNA)
where:
Base-Base interactions energy: -213.262
where: short stacking energy: -87.441
Base-Backbone interact. energy: -0.183
local terms energy: -93.221117
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -22.996
flat angles C4'-P-C4' energy: -19.717
flat angles P-C4'-P energy: -14.223
tors. eta vs tors. theta energy: -19.115
Dist. restrs. and SS energy: 1.129 (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: 2
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -270.173527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.173527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.571326 (E_RNA)
where:
Base-Base interactions energy: -177.892
where: short stacking energy: -83.271
Base-Backbone interact. energy: -0.573
local terms energy: -93.106532
where:
bonds (distance) C4'-P energy: -19.333
bonds (distance) P-C4' energy: -19.281
flat angles C4'-P-C4' energy: -20.167
flat angles P-C4'-P energy: -15.022
tors. eta vs tors. theta energy: -19.303
Dist. restrs. and SS energy: 1.398 (S_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: 218
Temperature: 1.300000
Total energy: -231.255853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.255853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.285090 (E_RNA)
where:
Base-Base interactions energy: -148.840
where: short stacking energy: -64.823
Base-Backbone interact. energy: 0.124
local terms energy: -83.568857
where:
bonds (distance) C4'-P energy: -19.031
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -19.070
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -15.504
Dist. restrs. and SS energy: 1.029 (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: 3
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -217.245943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.245943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.334260 (E_RNA)
where:
Base-Base interactions energy: -138.597
where: short stacking energy: -52.816
Base-Backbone interact. energy: -0.186
local terms energy: -80.551544
where:
bonds (distance) C4'-P energy: -19.095
bonds (distance) P-C4' energy: -21.358
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -15.915
tors. eta vs tors. theta energy: -7.713
Dist. restrs. and SS energy: 2.088 (S_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: 219
Temperature: 0.900000
Total energy: -361.782889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.782889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.069799 (E_RNA)
where:
Base-Base interactions energy: -262.178
where: short stacking energy: -105.823
Base-Backbone interact. energy: -0.044
local terms energy: -99.847901
where:
bonds (distance) C4'-P energy: -21.835
bonds (distance) P-C4' energy: -17.916
flat angles C4'-P-C4' energy: -18.871
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -28.175
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: 219
Temperature: 0.950000
Total energy: -361.914023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.914023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.708296 (E_RNA)
where:
Base-Base interactions energy: -254.903
where: short stacking energy: -102.975
Base-Backbone interact. energy: 1.541
local terms energy: -110.346343
where:
bonds (distance) C4'-P energy: -22.454
bonds (distance) P-C4' energy: -21.198
flat angles C4'-P-C4' energy: -24.823
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -28.500
Dist. restrs. and SS energy: 1.794 (S_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: 219
Temperature: 1.000000
Total energy: -363.103569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.103569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.375563 (E_RNA)
where:
Base-Base interactions energy: -249.543
where: short stacking energy: -103.501
Base-Backbone interact. energy: -0.405
local terms energy: -114.427210
where:
bonds (distance) C4'-P energy: -19.025
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -23.447
flat angles P-C4'-P energy: -16.512
tors. eta vs tors. theta energy: -33.343
Dist. restrs. and SS energy: 1.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -336.406201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.406201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.104873 (E_RNA)
where:
Base-Base interactions energy: -234.818
where: short stacking energy: -92.201
Base-Backbone interact. energy: -0.785
local terms energy: -101.501843
where:
bonds (distance) C4'-P energy: -22.552
bonds (distance) P-C4' energy: -18.205
flat angles C4'-P-C4' energy: -19.443
flat angles P-C4'-P energy: -19.468
tors. eta vs tors. theta energy: -21.833
Dist. restrs. and SS energy: 0.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -345.063315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.063315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.138301 (E_RNA)
where:
Base-Base interactions energy: -236.473
where: short stacking energy: -91.618
Base-Backbone interact. energy: 2.044
local terms energy: -111.708915
where:
bonds (distance) C4'-P energy: -25.999
bonds (distance) P-C4' energy: -25.373
flat angles C4'-P-C4' energy: -19.493
flat angles P-C4'-P energy: -17.040
tors. eta vs tors. theta energy: -23.804
Dist. restrs. and SS energy: 1.075 (S_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: 219
Temperature: 1.150000
Total energy: -280.934304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.934304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.389667 (E_RNA)
where:
Base-Base interactions energy: -187.869
where: short stacking energy: -80.869
Base-Backbone interact. energy: -0.579
local terms energy: -97.942139
where:
bonds (distance) C4'-P energy: -20.112
bonds (distance) P-C4' energy: -22.650
flat angles C4'-P-C4' energy: -21.208
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -26.281
Dist. restrs. and SS energy: 5.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -266.168090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.168090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.028795 (E_RNA)
where:
Base-Base interactions energy: -181.122
where: short stacking energy: -58.719
Base-Backbone interact. energy: -0.551
local terms energy: -87.355609
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -22.176
flat angles C4'-P-C4' energy: -18.817
flat angles P-C4'-P energy: -13.556
tors. eta vs tors. theta energy: -16.711
Dist. restrs. and SS energy: 2.861 (S_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: 219
Temperature: 1.250000
Total energy: -252.964181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.964181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.265365 (E_RNA)
where:
Base-Base interactions energy: -164.172
where: short stacking energy: -67.377
Base-Backbone interact. energy: -0.222
local terms energy: -91.871378
where:
bonds (distance) C4'-P energy: -17.880
bonds (distance) P-C4' energy: -18.072
flat angles C4'-P-C4' energy: -19.335
flat angles P-C4'-P energy: -17.999
tors. eta vs tors. theta energy: -18.585
Dist. restrs. and SS energy: 3.301 (S_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: 219
Temperature: 1.300000
Total energy: -224.492132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.492132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.701099 (E_RNA)
where:
Base-Base interactions energy: -148.914
where: short stacking energy: -54.993
Base-Backbone interact. energy: 3.343
local terms energy: -79.129924
where:
bonds (distance) C4'-P energy: -18.658
bonds (distance) P-C4' energy: -21.485
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -11.914
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: 3
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -217.792487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.792487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.306242 (E_RNA)
where:
Base-Base interactions energy: -146.737
where: short stacking energy: -57.817
Base-Backbone interact. energy: -0.344
local terms energy: -72.224589
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -8.056
Dist. restrs. and SS energy: 1.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -367.722835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.722835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.412597 (E_RNA)
where:
Base-Base interactions energy: -259.647
where: short stacking energy: -96.344
Base-Backbone interact. energy: -0.537
local terms energy: -108.228660
where:
bonds (distance) C4'-P energy: -19.545
bonds (distance) P-C4' energy: -25.039
flat angles C4'-P-C4' energy: -21.661
flat angles P-C4'-P energy: -14.961
tors. eta vs tors. theta energy: -27.023
Dist. restrs. and SS energy: 0.690 (S_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: 220
Temperature: 0.950000
Total energy: -367.810771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.810771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.989366 (E_RNA)
where:
Base-Base interactions energy: -262.879
where: short stacking energy: -104.379
Base-Backbone interact. energy: -0.861
local terms energy: -105.249665
where:
bonds (distance) C4'-P energy: -17.672
bonds (distance) P-C4' energy: -19.634
flat angles C4'-P-C4' energy: -18.936
flat angles P-C4'-P energy: -19.386
tors. eta vs tors. theta energy: -29.622
Dist. restrs. and SS energy: 1.179 (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: 220
Temperature: 1.000000
Total energy: -343.884928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.884928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.416060 (E_RNA)
where:
Base-Base interactions energy: -247.060
where: short stacking energy: -93.612
Base-Backbone interact. energy: -0.535
local terms energy: -97.820999
where:
bonds (distance) C4'-P energy: -17.481
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -22.581
flat angles P-C4'-P energy: -18.267
tors. eta vs tors. theta energy: -22.400
Dist. restrs. and SS energy: 1.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -315.068338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.068338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.765706 (E_RNA)
where:
Base-Base interactions energy: -224.489
where: short stacking energy: -83.666
Base-Backbone interact. energy: 0.467
local terms energy: -93.743089
where:
bonds (distance) C4'-P energy: -23.124
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -20.421
flat angles P-C4'-P energy: -16.663
tors. eta vs tors. theta energy: -20.926
Dist. restrs. and SS energy: 2.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -343.434888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.434888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.143426 (E_RNA)
where:
Base-Base interactions energy: -237.185
where: short stacking energy: -94.701
Base-Backbone interact. energy: 0.633
local terms energy: -107.591385
where:
bonds (distance) C4'-P energy: -17.747
bonds (distance) P-C4' energy: -23.824
flat angles C4'-P-C4' energy: -22.341
flat angles P-C4'-P energy: -14.260
tors. eta vs tors. theta energy: -29.419
Dist. restrs. and SS energy: 0.709 (S_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: 220
Temperature: 1.150000
Total energy: -290.962479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.962479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.241715 (E_RNA)
where:
Base-Base interactions energy: -195.345
where: short stacking energy: -74.881
Base-Backbone interact. energy: -1.291
local terms energy: -95.605648
where:
bonds (distance) C4'-P energy: -20.738
bonds (distance) P-C4' energy: -24.666
flat angles C4'-P-C4' energy: -19.525
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -23.604
Dist. restrs. and SS energy: 1.279 (S_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: 220
Temperature: 1.200000
Total energy: -253.810401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.810401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.502938 (E_RNA)
where:
Base-Base interactions energy: -169.498
where: short stacking energy: -64.365
Base-Backbone interact. energy: -0.559
local terms energy: -87.446701
where:
bonds (distance) C4'-P energy: -18.626
bonds (distance) P-C4' energy: -23.630
flat angles C4'-P-C4' energy: -21.811
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -12.378
Dist. restrs. and SS energy: 3.693 (S_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: 220
Temperature: 1.250000
Total energy: -242.165552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.165552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.111442 (E_RNA)
where:
Base-Base interactions energy: -165.078
where: short stacking energy: -70.142
Base-Backbone interact. energy: -0.373
local terms energy: -77.660621
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -17.572
Dist. restrs. and SS energy: 0.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -253.643528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.643528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.752949 (E_RNA)
where:
Base-Base interactions energy: -167.656
where: short stacking energy: -68.116
Base-Backbone interact. energy: -0.139
local terms energy: -85.958094
where:
bonds (distance) C4'-P energy: -21.445
bonds (distance) P-C4' energy: -24.652
flat angles C4'-P-C4' energy: -18.873
flat angles P-C4'-P energy: -3.462
tors. eta vs tors. theta energy: -17.527
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: 1
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -213.579211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.579211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.738505 (E_RNA)
where:
Base-Base interactions energy: -133.143
where: short stacking energy: -52.804
Base-Backbone interact. energy: 1.377
local terms energy: -85.972465
where:
bonds (distance) C4'-P energy: -20.594
bonds (distance) P-C4' energy: -26.131
flat angles C4'-P-C4' energy: -19.829
flat angles P-C4'-P energy: -3.586
tors. eta vs tors. theta energy: -15.831
Dist. restrs. and SS energy: 4.159 (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: 4
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -369.039839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.039839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.056019 (E_RNA)
where:
Base-Base interactions energy: -263.853
where: short stacking energy: -101.576
Base-Backbone interact. energy: -0.833
local terms energy: -105.370599
where:
bonds (distance) C4'-P energy: -20.209
bonds (distance) P-C4' energy: -18.524
flat angles C4'-P-C4' energy: -22.988
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -30.593
Dist. restrs. and SS energy: 1.016 (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: 8
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -351.406113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.406113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.625728 (E_RNA)
where:
Base-Base interactions energy: -234.736
where: short stacking energy: -92.695
Base-Backbone interact. energy: 0.114
local terms energy: -117.003103
where:
bonds (distance) C4'-P energy: -22.971
bonds (distance) P-C4' energy: -20.980
flat angles C4'-P-C4' energy: -24.724
flat angles P-C4'-P energy: -21.527
tors. eta vs tors. theta energy: -26.801
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: 3, replica: 9
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -357.059691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.059691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.142421 (E_RNA)
where:
Base-Base interactions energy: -244.216
where: short stacking energy: -90.839
Base-Backbone interact. energy: -1.256
local terms energy: -113.670149
where:
bonds (distance) C4'-P energy: -21.018
bonds (distance) P-C4' energy: -25.501
flat angles C4'-P-C4' energy: -25.040
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -30.426
Dist. restrs. and SS energy: 2.083 (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: 10
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -347.148790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.148790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.415925 (E_RNA)
where:
Base-Base interactions energy: -238.574
where: short stacking energy: -93.428
Base-Backbone interact. energy: -0.463
local terms energy: -109.378647
where:
bonds (distance) C4'-P energy: -16.623
bonds (distance) P-C4' energy: -24.444
flat angles C4'-P-C4' energy: -23.851
flat angles P-C4'-P energy: -15.104
tors. eta vs tors. theta energy: -29.357
Dist. restrs. and SS energy: 1.267 (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: 6
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -319.830194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.830194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.842849 (E_RNA)
where:
Base-Base interactions energy: -223.803
where: short stacking energy: -92.504
Base-Backbone interact. energy: 5.890
local terms energy: -103.930162
where:
bonds (distance) C4'-P energy: -23.265
bonds (distance) P-C4' energy: -21.620
flat angles C4'-P-C4' energy: -25.462
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -21.092
Dist. restrs. and SS energy: 2.013 (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: 7
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -308.832539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.832539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.146553 (E_RNA)
where:
Base-Base interactions energy: -205.654
where: short stacking energy: -84.868
Base-Backbone interact. energy: 0.029
local terms energy: -103.522241
where:
bonds (distance) C4'-P energy: -19.576
bonds (distance) P-C4' energy: -20.756
flat angles C4'-P-C4' energy: -21.061
flat angles P-C4'-P energy: -15.270
tors. eta vs tors. theta energy: -26.859
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: 7, replica: 2
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -273.485470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.485470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.466783 (E_RNA)
where:
Base-Base interactions energy: -193.273
where: short stacking energy: -75.949
Base-Backbone interact. energy: -0.476
local terms energy: -81.717918
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -21.682
flat angles C4'-P-C4' energy: -20.989
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -15.966
Dist. restrs. and SS energy: 1.981 (S_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: 221
Temperature: 1.250000
Total energy: -239.651820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.651820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.953399 (E_RNA)
where:
Base-Base interactions energy: -154.875
where: short stacking energy: -70.838
Base-Backbone interact. energy: -0.629
local terms energy: -84.449827
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -21.299
flat angles C4'-P-C4' energy: -21.412
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -13.397
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: 9, replica: 3
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -230.510081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.510081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.654250 (E_RNA)
where:
Base-Base interactions energy: -149.593
where: short stacking energy: -61.213
Base-Backbone interact. energy: -1.288
local terms energy: -79.772815
where:
bonds (distance) C4'-P energy: -16.613
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -23.447
flat angles P-C4'-P energy: -13.489
tors. eta vs tors. theta energy: -13.663
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: 10, replica: 1
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -189.870791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.870791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.901912 (E_RNA)
where:
Base-Base interactions energy: -117.011
where: short stacking energy: -52.133
Base-Backbone interact. energy: -0.456
local terms energy: -76.435096
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -23.267
flat angles C4'-P-C4' energy: -22.467
flat angles P-C4'-P energy: -4.026
tors. eta vs tors. theta energy: -9.380
Dist. restrs. and SS energy: 4.031 (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: 8
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -360.873516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.873516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.569296 (E_RNA)
where:
Base-Base interactions energy: -243.086
where: short stacking energy: -100.811
Base-Backbone interact. energy: -0.310
local terms energy: -118.173416
where:
bonds (distance) C4'-P energy: -18.245
bonds (distance) P-C4' energy: -25.443
flat angles C4'-P-C4' energy: -25.120
flat angles P-C4'-P energy: -20.647
tors. eta vs tors. theta energy: -28.717
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: 2, replica: 4
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -362.328501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.328501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.604830 (E_RNA)
where:
Base-Base interactions energy: -249.875
where: short stacking energy: -103.512
Base-Backbone interact. energy: -0.790
local terms energy: -113.939878
where:
bonds (distance) C4'-P energy: -23.151
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -24.835
flat angles P-C4'-P energy: -18.156
tors. eta vs tors. theta energy: -28.876
Dist. restrs. and SS energy: 2.276 (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: 9
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -352.361792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.361792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.279388 (E_RNA)
where:
Base-Base interactions energy: -244.303
where: short stacking energy: -96.718
Base-Backbone interact. energy: -0.756
local terms energy: -108.220335
where:
bonds (distance) C4'-P energy: -18.582
bonds (distance) P-C4' energy: -24.043
flat angles C4'-P-C4' energy: -19.621
flat angles P-C4'-P energy: -16.979
tors. eta vs tors. theta energy: -28.996
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: 4, replica: 10
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -348.238972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.238972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.483768 (E_RNA)
where:
Base-Base interactions energy: -247.082
where: short stacking energy: -81.570
Base-Backbone interact. energy: -0.765
local terms energy: -101.636676
where:
bonds (distance) C4'-P energy: -23.025
bonds (distance) P-C4' energy: -20.100
flat angles C4'-P-C4' energy: -21.776
flat angles P-C4'-P energy: -14.046
tors. eta vs tors. theta energy: -22.689
Dist. restrs. and SS energy: 1.245 (S_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: 222
Temperature: 1.100000
Total energy: -307.108334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.108334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.672441 (E_RNA)
where:
Base-Base interactions energy: -208.927
where: short stacking energy: -76.303
Base-Backbone interact. energy: -0.500
local terms energy: -100.244475
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -23.926
flat angles C4'-P-C4' energy: -19.420
flat angles P-C4'-P energy: -15.329
tors. eta vs tors. theta energy: -22.413
Dist. restrs. and SS energy: 2.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -325.786338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.786338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.697406 (E_RNA)
where:
Base-Base interactions energy: -216.788
where: short stacking energy: -79.382
Base-Backbone interact. energy: -0.735
local terms energy: -109.174426
where:
bonds (distance) C4'-P energy: -21.113
bonds (distance) P-C4' energy: -26.812
flat angles C4'-P-C4' energy: -25.474
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -21.318
Dist. restrs. and SS energy: 0.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -265.793862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.793862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.194903 (E_RNA)
where:
Base-Base interactions energy: -171.285
where: short stacking energy: -79.020
Base-Backbone interact. energy: 2.648
local terms energy: -97.558684
where:
bonds (distance) C4'-P energy: -19.230
bonds (distance) P-C4' energy: -19.204
flat angles C4'-P-C4' energy: -26.842
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -21.264
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: 8, replica: 2
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -267.272747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.272747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.282793 (E_RNA)
where:
Base-Base interactions energy: -180.208
where: short stacking energy: -77.203
Base-Backbone interact. energy: -0.351
local terms energy: -87.723691
where:
bonds (distance) C4'-P energy: -20.989
bonds (distance) P-C4' energy: -21.992
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -16.674
Dist. restrs. and SS energy: 1.010 (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: 222
Temperature: 1.300000
Total energy: -210.234612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.234612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.553378 (E_RNA)
where:
Base-Base interactions energy: -134.605
where: short stacking energy: -57.497
Base-Backbone interact. energy: 1.099
local terms energy: -80.046494
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -20.217
flat angles C4'-P-C4' energy: -19.749
flat angles P-C4'-P energy: -14.823
tors. eta vs tors. theta energy: -11.642
Dist. restrs. and SS energy: 3.319 (S_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: 222
Temperature: 1.350000
Total energy: -246.003738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.003738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.969467 (E_RNA)
where:
Base-Base interactions energy: -176.784
where: short stacking energy: -73.632
Base-Backbone interact. energy: -1.117
local terms energy: -69.068731
where:
bonds (distance) C4'-P energy: -22.029
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -6.170
tors. eta vs tors. theta energy: -15.565
Dist. restrs. and SS energy: 0.966 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -371.833272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.833272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.294175 (E_RNA)
where:
Base-Base interactions energy: -265.860
where: short stacking energy: -101.415
Base-Backbone interact. energy: -0.561
local terms energy: -106.872864
where:
bonds (distance) C4'-P energy: -21.039
bonds (distance) P-C4' energy: -23.971
flat angles C4'-P-C4' energy: -20.555
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -27.219
Dist. restrs. and SS energy: 1.461 (S_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: 223
Temperature: 0.950000
Total energy: -361.239412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.239412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.624687 (E_RNA)
where:
Base-Base interactions energy: -256.753
where: short stacking energy: -103.646
Base-Backbone interact. energy: -1.516
local terms energy: -104.355695
where:
bonds (distance) C4'-P energy: -21.183
bonds (distance) P-C4' energy: -18.031
flat angles C4'-P-C4' energy: -20.501
flat angles P-C4'-P energy: -13.789
tors. eta vs tors. theta energy: -30.852
Dist. restrs. and SS energy: 1.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -347.534366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.534366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.105597 (E_RNA)
where:
Base-Base interactions energy: -245.602
where: short stacking energy: -93.538
Base-Backbone interact. energy: -0.482
local terms energy: -102.021700
where:
bonds (distance) C4'-P energy: -18.021
bonds (distance) P-C4' energy: -19.110
flat angles C4'-P-C4' energy: -21.536
flat angles P-C4'-P energy: -18.788
tors. eta vs tors. theta energy: -24.567
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: 10
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -326.002557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.002557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.544265 (E_RNA)
where:
Base-Base interactions energy: -234.833
where: short stacking energy: -80.872
Base-Backbone interact. energy: -1.151
local terms energy: -93.559841
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -21.173
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -15.776
tors. eta vs tors. theta energy: -19.394
Dist. restrs. and SS energy: 3.542 (S_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: 223
Temperature: 1.100000
Total energy: -316.073886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.073886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.117583 (E_RNA)
where:
Base-Base interactions energy: -214.280
where: short stacking energy: -77.097
Base-Backbone interact. energy: -0.600
local terms energy: -101.238370
where:
bonds (distance) C4'-P energy: -22.441
bonds (distance) P-C4' energy: -21.764
flat angles C4'-P-C4' energy: -19.528
flat angles P-C4'-P energy: -18.989
tors. eta vs tors. theta energy: -18.516
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: 6
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -315.005860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.005860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.048899 (E_RNA)
where:
Base-Base interactions energy: -214.549
where: short stacking energy: -94.244
Base-Backbone interact. energy: -0.423
local terms energy: -100.077547
where:
bonds (distance) C4'-P energy: -18.470
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -22.244
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -24.914
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: 5
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -255.560706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.560706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.508555 (E_RNA)
where:
Base-Base interactions energy: -179.370
where: short stacking energy: -74.434
Base-Backbone interact. energy: -0.877
local terms energy: -85.261031
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -18.623
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -14.795
tors. eta vs tors. theta energy: -19.061
Dist. restrs. and SS energy: 9.948 (S_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: 223
Temperature: 1.250000
Total energy: -249.112438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.112438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.283071 (E_RNA)
where:
Base-Base interactions energy: -162.941
where: short stacking energy: -66.346
Base-Backbone interact. energy: -0.390
local terms energy: -88.951451
where:
bonds (distance) C4'-P energy: -19.080
bonds (distance) P-C4' energy: -23.595
flat angles C4'-P-C4' energy: -23.512
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -12.272
Dist. restrs. and SS energy: 3.171 (S_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: 223
Temperature: 1.300000
Total energy: -226.618701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.618701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.088207 (E_RNA)
where:
Base-Base interactions energy: -153.602
where: short stacking energy: -62.271
Base-Backbone interact. energy: 1.624
local terms energy: -75.110208
where:
bonds (distance) C4'-P energy: -19.434
bonds (distance) P-C4' energy: -23.469
flat angles C4'-P-C4' energy: -20.187
flat angles P-C4'-P energy: -5.004
tors. eta vs tors. theta energy: -7.016
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: 10, replica: 3
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -235.300647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.300647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.652965 (E_RNA)
where:
Base-Base interactions energy: -161.339
where: short stacking energy: -65.205
Base-Backbone interact. energy: -0.458
local terms energy: -74.855816
where:
bonds (distance) C4'-P energy: -17.826
bonds (distance) P-C4' energy: -18.134
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -16.893
Dist. restrs. and SS energy: 1.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -368.796513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.796513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.700446 (E_RNA)
where:
Base-Base interactions energy: -265.228
where: short stacking energy: -99.987
Base-Backbone interact. energy: -1.608
local terms energy: -102.864216
where:
bonds (distance) C4'-P energy: -24.134
bonds (distance) P-C4' energy: -19.169
flat angles C4'-P-C4' energy: -19.126
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -27.472
Dist. restrs. and SS energy: 0.904 (S_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: 224
Temperature: 0.950000
Total energy: -360.880182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.880182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.077542 (E_RNA)
where:
Base-Base interactions energy: -252.785
where: short stacking energy: -101.313
Base-Backbone interact. energy: -1.258
local terms energy: -108.034766
where:
bonds (distance) C4'-P energy: -17.508
bonds (distance) P-C4' energy: -24.845
flat angles C4'-P-C4' energy: -21.519
flat angles P-C4'-P energy: -16.562
tors. eta vs tors. theta energy: -27.601
Dist. restrs. and SS energy: 1.197 (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: 10
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -340.839204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.839204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.698071 (E_RNA)
where:
Base-Base interactions energy: -237.136
where: short stacking energy: -88.774
Base-Backbone interact. energy: 0.139
local terms energy: -106.700406
where:
bonds (distance) C4'-P energy: -24.334
bonds (distance) P-C4' energy: -16.750
flat angles C4'-P-C4' energy: -21.147
flat angles P-C4'-P energy: -19.396
tors. eta vs tors. theta energy: -25.074
Dist. restrs. and SS energy: 2.859 (S_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: 224
Temperature: 1.050000
Total energy: -335.917937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.917937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.863668 (E_RNA)
where:
Base-Base interactions energy: -246.904
where: short stacking energy: -85.233
Base-Backbone interact. energy: -0.419
local terms energy: -89.540409
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -18.652
flat angles C4'-P-C4' energy: -19.281
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -23.430
Dist. restrs. and SS energy: 0.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -326.775819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.775819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.777924 (E_RNA)
where:
Base-Base interactions energy: -244.681
where: short stacking energy: -93.602
Base-Backbone interact. energy: -0.587
local terms energy: -83.509796
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -23.887
Dist. restrs. and SS energy: 2.002 (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: 7
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -320.021649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.021649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.923906 (E_RNA)
where:
Base-Base interactions energy: -225.535
where: short stacking energy: -103.884
Base-Backbone interact. energy: -0.599
local terms energy: -94.789535
where:
bonds (distance) C4'-P energy: -20.235
bonds (distance) P-C4' energy: -10.619
flat angles C4'-P-C4' energy: -21.421
flat angles P-C4'-P energy: -15.736
tors. eta vs tors. theta energy: -26.779
Dist. restrs. and SS energy: 0.902 (S_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: 224
Temperature: 1.200000
Total energy: -267.873872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.873872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.900916 (E_RNA)
where:
Base-Base interactions energy: -194.548
where: short stacking energy: -70.459
Base-Backbone interact. energy: -0.876
local terms energy: -76.476737
where:
bonds (distance) C4'-P energy: -23.224
bonds (distance) P-C4' energy: -11.212
flat angles C4'-P-C4' energy: -21.179
flat angles P-C4'-P energy: -5.914
tors. eta vs tors. theta energy: -14.947
Dist. restrs. and SS energy: 4.027 (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: 5
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -240.891584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.891584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.968207 (E_RNA)
where:
Base-Base interactions energy: -150.585
where: short stacking energy: -53.908
Base-Backbone interact. energy: -0.441
local terms energy: -91.942323
where:
bonds (distance) C4'-P energy: -22.095
bonds (distance) P-C4' energy: -20.793
flat angles C4'-P-C4' energy: -23.077
flat angles P-C4'-P energy: -14.617
tors. eta vs tors. theta energy: -11.360
Dist. restrs. and SS energy: 2.077 (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: 3
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -248.376499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.376499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.120274 (E_RNA)
where:
Base-Base interactions energy: -164.832
where: short stacking energy: -64.770
Base-Backbone interact. energy: 0.521
local terms energy: -85.809842
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -23.619
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -14.765
Dist. restrs. and SS energy: 1.744 (S_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: 224
Temperature: 1.350000
Total energy: -226.542539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.542539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.604240 (E_RNA)
where:
Base-Base interactions energy: -148.189
where: short stacking energy: -51.872
Base-Backbone interact. energy: -1.391
local terms energy: -77.023820
where:
bonds (distance) C4'-P energy: -18.828
bonds (distance) P-C4' energy: -18.985
flat angles C4'-P-C4' energy: -22.412
flat angles P-C4'-P energy: -6.310
tors. eta vs tors. theta energy: -10.489
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: 8
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -368.282864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.282864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.347660 (E_RNA)
where:
Base-Base interactions energy: -259.706
where: short stacking energy: -108.218
Base-Backbone interact. energy: -0.458
local terms energy: -109.183031
where:
bonds (distance) C4'-P energy: -21.799
bonds (distance) P-C4' energy: -23.398
flat angles C4'-P-C4' energy: -23.688
flat angles P-C4'-P energy: -12.809
tors. eta vs tors. theta energy: -27.488
Dist. restrs. and SS energy: 1.065 (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: 225
Temperature: 0.950000
Total energy: -363.541960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.541960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.673426 (E_RNA)
where:
Base-Base interactions energy: -253.627
where: short stacking energy: -102.570
Base-Backbone interact. energy: -0.912
local terms energy: -110.133988
where:
bonds (distance) C4'-P energy: -21.850
bonds (distance) P-C4' energy: -18.501
flat angles C4'-P-C4' energy: -23.316
flat angles P-C4'-P energy: -16.751
tors. eta vs tors. theta energy: -29.716
Dist. restrs. and SS energy: 1.131 (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: 10
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -357.250111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.250111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.202031 (E_RNA)
where:
Base-Base interactions energy: -252.022
where: short stacking energy: -101.574
Base-Backbone interact. energy: 1.062
local terms energy: -107.241458
where:
bonds (distance) C4'-P energy: -18.043
bonds (distance) P-C4' energy: -24.243
flat angles C4'-P-C4' energy: -19.501
flat angles P-C4'-P energy: -19.094
tors. eta vs tors. theta energy: -26.360
Dist. restrs. and SS energy: 0.952 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -323.584509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.584509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.532512 (E_RNA)
where:
Base-Base interactions energy: -217.814
where: short stacking energy: -93.830
Base-Backbone interact. energy: -0.137
local terms energy: -106.582402
where:
bonds (distance) C4'-P energy: -23.168
bonds (distance) P-C4' energy: -17.853
flat angles C4'-P-C4' energy: -23.570
flat angles P-C4'-P energy: -13.386
tors. eta vs tors. theta energy: -28.605
Dist. restrs. and SS energy: 0.948 (S_DIST_RNA)
chem. 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: -337.544957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.544957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.754077 (E_RNA)
where:
Base-Base interactions energy: -244.564
where: short stacking energy: -98.142
Base-Backbone interact. energy: -0.307
local terms energy: -92.882851
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -19.541
flat angles C4'-P-C4' energy: -20.013
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -27.553
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: 2
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -286.144475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.144475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.450018 (E_RNA)
where:
Base-Base interactions energy: -204.377
where: short stacking energy: -73.871
Base-Backbone interact. energy: 0.142
local terms energy: -84.214358
where:
bonds (distance) C4'-P energy: -18.220
bonds (distance) P-C4' energy: -19.157
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: -16.612
Dist. restrs. and SS energy: 2.306 (S_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: -255.076649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.076649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.121527 (E_RNA)
where:
Base-Base interactions energy: -170.925
where: short stacking energy: -66.720
Base-Backbone interact. energy: -0.242
local terms energy: -84.954852
where:
bonds (distance) C4'-P energy: -20.488
bonds (distance) P-C4' energy: -23.476
flat angles C4'-P-C4' energy: -22.166
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -10.883
Dist. restrs. and SS energy: 1.045 (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: 3
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -230.799106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.799106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.915352 (E_RNA)
where:
Base-Base interactions energy: -151.964
where: short stacking energy: -52.305
Base-Backbone interact. energy: 1.186
local terms energy: -82.137601
where:
bonds (distance) C4'-P energy: -18.599
bonds (distance) P-C4' energy: -21.471
flat angles C4'-P-C4' energy: -19.203
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -12.812
Dist. restrs. and SS energy: 2.116 (S_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: 225
Temperature: 1.300000
Total energy: -270.773789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.773789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.746453 (E_RNA)
where:
Base-Base interactions energy: -194.511
where: short stacking energy: -83.066
Base-Backbone interact. energy: -0.424
local terms energy: -80.812011
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -23.835
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -18.065
Dist. restrs. and SS energy: 4.973 (S_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: 225
Temperature: 1.350000
Total energy: -218.959085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.959085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.069018 (E_RNA)
where:
Base-Base interactions energy: -135.374
where: short stacking energy: -66.030
Base-Backbone interact. energy: 0.200
local terms energy: -87.895323
where:
bonds (distance) C4'-P energy: -17.405
bonds (distance) P-C4' energy: -23.765
flat angles C4'-P-C4' energy: -18.893
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -16.158
Dist. restrs. and SS energy: 4.110 (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: 8
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -366.710383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.710383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.916739 (E_RNA)
where:
Base-Base interactions energy: -256.687
where: short stacking energy: -91.306
Base-Backbone interact. energy: -0.785
local terms energy: -110.444499
where:
bonds (distance) C4'-P energy: -20.193
bonds (distance) P-C4' energy: -23.784
flat angles C4'-P-C4' energy: -24.555
flat angles P-C4'-P energy: -13.896
tors. eta vs tors. theta energy: -28.016
Dist. restrs. and SS energy: 1.206 (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: 9
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -362.153268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.153268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.724553 (E_RNA)
where:
Base-Base interactions energy: -241.436
where: short stacking energy: -88.303
Base-Backbone interact. energy: -1.073
local terms energy: -121.215775
where:
bonds (distance) C4'-P energy: -25.345
bonds (distance) P-C4' energy: -23.774
flat angles C4'-P-C4' energy: -26.176
flat angles P-C4'-P energy: -16.962
tors. eta vs tors. theta energy: -28.958
Dist. restrs. and SS energy: 1.571 (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: 10
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -351.286563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.286563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.322344 (E_RNA)
where:
Base-Base interactions energy: -242.082
where: short stacking energy: -90.174
Base-Backbone interact. energy: -1.777
local terms energy: -108.463850
where:
bonds (distance) C4'-P energy: -20.718
bonds (distance) P-C4' energy: -20.911
flat angles C4'-P-C4' energy: -22.194
flat angles P-C4'-P energy: -17.477
tors. eta vs tors. theta energy: -27.164
Dist. restrs. and SS energy: 1.036 (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: 6
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -319.581972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.581972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.636228 (E_RNA)
where:
Base-Base interactions energy: -217.959
where: short stacking energy: -80.430
Base-Backbone interact. energy: -0.698
local terms energy: -100.978905
where:
bonds (distance) C4'-P energy: -22.668
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -23.163
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -25.390
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: 4
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -344.019413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.019413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.801378 (E_RNA)
where:
Base-Base interactions energy: -230.442
where: short stacking energy: -98.891
Base-Backbone interact. energy: -0.834
local terms energy: -113.525269
where:
bonds (distance) C4'-P energy: -22.318
bonds (distance) P-C4' energy: -23.424
flat angles C4'-P-C4' energy: -21.702
flat angles P-C4'-P energy: -18.192
tors. eta vs tors. theta energy: -27.890
Dist. restrs. and SS energy: 0.782 (S_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: 226
Temperature: 1.150000
Total energy: -265.808879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.808879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.892827 (E_RNA)
where:
Base-Base interactions energy: -183.535
where: short stacking energy: -67.299
Base-Backbone interact. energy: 3.499
local terms energy: -87.857168
where:
bonds (distance) C4'-P energy: -20.583
bonds (distance) P-C4' energy: -22.578
flat angles C4'-P-C4' energy: -20.136
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -12.299
Dist. restrs. and SS energy: 2.084 (S_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: 226
Temperature: 1.200000
Total energy: -256.078864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.078864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.425316 (E_RNA)
where:
Base-Base interactions energy: -172.581
where: short stacking energy: -78.016
Base-Backbone interact. energy: 2.516
local terms energy: -92.360095
where:
bonds (distance) C4'-P energy: -20.003
bonds (distance) P-C4' energy: -24.027
flat angles C4'-P-C4' energy: -20.903
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -17.384
Dist. restrs. and SS energy: 6.346 (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: 7
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -250.035350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.035350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.743446 (E_RNA)
where:
Base-Base interactions energy: -157.211
where: short stacking energy: -58.048
Base-Backbone interact. energy: -0.358
local terms energy: -93.174388
where:
bonds (distance) C4'-P energy: -24.268
bonds (distance) P-C4' energy: -25.495
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -15.427
Dist. restrs. and SS energy: 0.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -266.987628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.987628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.134773 (E_RNA)
where:
Base-Base interactions energy: -180.024
where: short stacking energy: -72.183
Base-Backbone interact. energy: -0.488
local terms energy: -87.623681
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -21.468
flat angles C4'-P-C4' energy: -21.362
flat angles P-C4'-P energy: -17.539
tors. eta vs tors. theta energy: -15.222
Dist. restrs. and SS energy: 1.147 (S_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: 226
Temperature: 1.350000
Total energy: -242.900396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.900396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.278824 (E_RNA)
where:
Base-Base interactions energy: -151.990
where: short stacking energy: -58.352
Base-Backbone interact. energy: -0.492
local terms energy: -91.796706
where:
bonds (distance) C4'-P energy: -22.835
bonds (distance) P-C4' energy: -22.490
flat angles C4'-P-C4' energy: -23.878
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -13.865
Dist. restrs. and SS energy: 1.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -371.721146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.721146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.522705 (E_RNA)
where:
Base-Base interactions energy: -267.387
where: short stacking energy: -98.412
Base-Backbone interact. energy: -0.222
local terms energy: -105.913234
where:
bonds (distance) C4'-P energy: -21.188
bonds (distance) P-C4' energy: -17.141
flat angles C4'-P-C4' energy: -22.996
flat angles P-C4'-P energy: -14.829
tors. eta vs tors. theta energy: -29.759
Dist. restrs. and SS energy: 1.802 (S_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: 227
Temperature: 0.950000
Total energy: -361.700731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.700731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.127385 (E_RNA)
where:
Base-Base interactions energy: -245.507
where: short stacking energy: -103.205
Base-Backbone interact. energy: -1.318
local terms energy: -115.302134
where:
bonds (distance) C4'-P energy: -21.651
bonds (distance) P-C4' energy: -24.538
flat angles C4'-P-C4' energy: -23.345
flat angles P-C4'-P energy: -19.496
tors. eta vs tors. theta energy: -26.272
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: 3, replica: 10
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -353.447495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.447495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.661601 (E_RNA)
where:
Base-Base interactions energy: -251.399
where: short stacking energy: -101.607
Base-Backbone interact. energy: -0.026
local terms energy: -103.236359
where:
bonds (distance) C4'-P energy: -21.296
bonds (distance) P-C4' energy: -23.313
flat angles C4'-P-C4' energy: -18.346
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -28.152
Dist. restrs. and SS energy: 1.214 (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: 4
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -351.052299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.052299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.418085 (E_RNA)
where:
Base-Base interactions energy: -247.950
where: short stacking energy: -87.509
Base-Backbone interact. energy: 0.835
local terms energy: -105.303184
where:
bonds (distance) C4'-P energy: -26.652
bonds (distance) P-C4' energy: -19.916
flat angles C4'-P-C4' energy: -22.655
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -27.317
Dist. restrs. and SS energy: 1.366 (S_DIST_RNA)
chem. 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: -329.997151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.997151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.181226 (E_RNA)
where:
Base-Base interactions energy: -231.050
where: short stacking energy: -89.366
Base-Backbone interact. energy: -1.284
local terms energy: -98.847515
where:
bonds (distance) C4'-P energy: -20.802
bonds (distance) P-C4' energy: -21.618
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -28.158
Dist. restrs. and SS energy: 1.184 (S_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: 227
Temperature: 1.150000
Total energy: -266.868239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.868239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.122946 (E_RNA)
where:
Base-Base interactions energy: -178.660
where: short stacking energy: -67.155
Base-Backbone interact. energy: -0.444
local terms energy: -88.018606
where:
bonds (distance) C4'-P energy: -19.390
bonds (distance) P-C4' energy: -25.885
flat angles C4'-P-C4' energy: -18.561
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -12.835
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: 7, replica: 2
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -278.259083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.259083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.014601 (E_RNA)
where:
Base-Base interactions energy: -187.382
where: short stacking energy: -91.434
Base-Backbone interact. energy: -0.428
local terms energy: -95.204545
where:
bonds (distance) C4'-P energy: -12.511
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -21.138
flat angles P-C4'-P energy: -14.860
tors. eta vs tors. theta energy: -26.940
Dist. restrs. and SS energy: 4.756 (S_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: 227
Temperature: 1.250000
Total energy: -260.387316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.387316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.188533 (E_RNA)
where:
Base-Base interactions energy: -168.058
where: short stacking energy: -66.921
Base-Backbone interact. energy: -0.273
local terms energy: -92.858104
where:
bonds (distance) C4'-P energy: -25.315
bonds (distance) P-C4' energy: -19.577
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -19.528
Dist. restrs. and SS energy: 0.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -243.351802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.351802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.152753 (E_RNA)
where:
Base-Base interactions energy: -161.167
where: short stacking energy: -67.284
Base-Backbone interact. energy: 2.863
local terms energy: -87.849204
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -25.089
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: -16.299
Dist. restrs. and SS energy: 2.801 (S_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: 227
Temperature: 1.350000
Total energy: -234.986023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.986023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.574059 (E_RNA)
where:
Base-Base interactions energy: -154.150
where: short stacking energy: -67.217
Base-Backbone interact. energy: -0.347
local terms energy: -83.076301
where:
bonds (distance) C4'-P energy: -20.924
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -18.513
Dist. restrs. and SS energy: 2.588 (S_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: 228
Temperature: 0.900000
Total energy: -368.427847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.427847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.207334 (E_RNA)
where:
Base-Base interactions energy: -256.492
where: short stacking energy: -101.615
Base-Backbone interact. energy: -0.568
local terms energy: -112.147036
where:
bonds (distance) C4'-P energy: -20.202
bonds (distance) P-C4' energy: -25.226
flat angles C4'-P-C4' energy: -22.113
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -28.613
Dist. restrs. and SS energy: 0.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -363.777593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.777593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.003961 (E_RNA)
where:
Base-Base interactions energy: -249.965
where: short stacking energy: -96.165
Base-Backbone interact. energy: -0.768
local terms energy: -114.270858
where:
bonds (distance) C4'-P energy: -23.207
bonds (distance) P-C4' energy: -24.391
flat angles C4'-P-C4' energy: -25.557
flat angles P-C4'-P energy: -16.007
tors. eta vs tors. theta energy: -25.109
Dist. restrs. and SS energy: 1.226 (S_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: 228
Temperature: 1.000000
Total energy: -353.908377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.908377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.098602 (E_RNA)
where:
Base-Base interactions energy: -244.598
where: short stacking energy: -94.101
Base-Backbone interact. energy: -1.444
local terms energy: -109.056624
where:
bonds (distance) C4'-P energy: -25.952
bonds (distance) P-C4' energy: -23.333
flat angles C4'-P-C4' energy: -18.611
flat angles P-C4'-P energy: -14.067
tors. eta vs tors. theta energy: -27.094
Dist. restrs. and SS energy: 1.190 (S_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: 228
Temperature: 1.050000
Total energy: -348.182338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.182338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.987338 (E_RNA)
where:
Base-Base interactions energy: -241.333
where: short stacking energy: -98.017
Base-Backbone interact. energy: 0.106
local terms energy: -108.760341
where:
bonds (distance) C4'-P energy: -19.765
bonds (distance) P-C4' energy: -20.096
flat angles C4'-P-C4' energy: -18.527
flat angles P-C4'-P energy: -20.623
tors. eta vs tors. theta energy: -29.749
Dist. restrs. and SS energy: 1.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -328.221418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.221418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.475778 (E_RNA)
where:
Base-Base interactions energy: -220.572
where: short stacking energy: -96.233
Base-Backbone interact. energy: -1.645
local terms energy: -107.258931
where:
bonds (distance) C4'-P energy: -19.788
bonds (distance) P-C4' energy: -19.270
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -18.542
tors. eta vs tors. theta energy: -32.786
Dist. restrs. and SS energy: 1.254 (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: 3
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -269.450504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.450504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.296348 (E_RNA)
where:
Base-Base interactions energy: -182.066
where: short stacking energy: -76.204
Base-Backbone interact. energy: 2.553
local terms energy: -93.783053
where:
bonds (distance) C4'-P energy: -20.117
bonds (distance) P-C4' energy: -22.596
flat angles C4'-P-C4' energy: -23.695
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -17.826
Dist. restrs. and SS energy: 3.846 (S_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: 228
Temperature: 1.200000
Total energy: -270.406085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.406085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.502933 (E_RNA)
where:
Base-Base interactions energy: -193.289
where: short stacking energy: -78.982
Base-Backbone interact. energy: -1.464
local terms energy: -77.749886
where:
bonds (distance) C4'-P energy: -18.766
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -16.690
Dist. restrs. and SS energy: 2.097 (S_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: 228
Temperature: 1.250000
Total energy: -246.896013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.896013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.092281 (E_RNA)
where:
Base-Base interactions energy: -161.780
where: short stacking energy: -78.055
Base-Backbone interact. energy: -1.222
local terms energy: -90.089897
where:
bonds (distance) C4'-P energy: -22.414
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -4.883
tors. eta vs tors. theta energy: -21.613
Dist. restrs. and SS energy: 6.196 (S_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: 228
Temperature: 1.300000
Total energy: -236.943732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.943732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.496186 (E_RNA)
where:
Base-Base interactions energy: -160.156
where: short stacking energy: -72.776
Base-Backbone interact. energy: 7.535
local terms energy: -91.875853
where:
bonds (distance) C4'-P energy: -22.160
bonds (distance) P-C4' energy: -24.731
flat angles C4'-P-C4' energy: -23.967
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -11.304
Dist. restrs. and SS energy: 7.552 (S_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: 228
Temperature: 1.350000
Total energy: -227.400646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.400646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.861910 (E_RNA)
where:
Base-Base interactions energy: -156.286
where: short stacking energy: -57.513
Base-Backbone interact. energy: -0.767
local terms energy: -75.809351
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -23.786
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -18.832
tors. eta vs tors. theta energy: -7.733
Dist. restrs. and SS energy: 5.461 (S_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: 229
Temperature: 0.900000
Total energy: -365.997009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.997009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.392689 (E_RNA)
where:
Base-Base interactions energy: -255.084
where: short stacking energy: -91.356
Base-Backbone interact. energy: -0.599
local terms energy: -111.710000
where:
bonds (distance) C4'-P energy: -22.338
bonds (distance) P-C4' energy: -28.187
flat angles C4'-P-C4' energy: -17.745
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -29.352
Dist. restrs. and SS energy: 1.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -365.594507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.594507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.731909 (E_RNA)
where:
Base-Base interactions energy: -254.646
where: short stacking energy: -100.247
Base-Backbone interact. energy: -1.043
local terms energy: -111.042902
where:
bonds (distance) C4'-P energy: -21.333
bonds (distance) P-C4' energy: -22.613
flat angles C4'-P-C4' energy: -21.346
flat angles P-C4'-P energy: -18.356
tors. eta vs tors. theta energy: -27.396
Dist. restrs. and SS energy: 1.137 (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: 8
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -350.198313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.198313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.672601 (E_RNA)
where:
Base-Base interactions energy: -236.469
where: short stacking energy: -94.792
Base-Backbone interact. energy: 1.021
local terms energy: -116.225050
where:
bonds (distance) C4'-P energy: -25.092
bonds (distance) P-C4' energy: -26.446
flat angles C4'-P-C4' energy: -19.534
flat angles P-C4'-P energy: -17.527
tors. eta vs tors. theta energy: -27.627
Dist. restrs. and SS energy: 1.474 (S_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: 229
Temperature: 1.050000
Total energy: -335.328237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.328237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.465733 (E_RNA)
where:
Base-Base interactions energy: -230.570
where: short stacking energy: -92.207
Base-Backbone interact. energy: -0.057
local terms energy: -105.839252
where:
bonds (distance) C4'-P energy: -21.659
bonds (distance) P-C4' energy: -24.164
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -15.407
tors. eta vs tors. theta energy: -27.740
Dist. restrs. and SS energy: 1.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -330.265699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.265699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.506083 (E_RNA)
where:
Base-Base interactions energy: -236.718
where: short stacking energy: -94.011
Base-Backbone interact. energy: -0.456
local terms energy: -95.332237
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -11.237
flat angles C4'-P-C4' energy: -23.681
flat angles P-C4'-P energy: -17.270
tors. eta vs tors. theta energy: -27.126
Dist. restrs. and SS energy: 2.240 (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: 2
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -290.563475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.563475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.318540 (E_RNA)
where:
Base-Base interactions energy: -195.060
where: short stacking energy: -69.864
Base-Backbone interact. energy: -0.361
local terms energy: -96.898288
where:
bonds (distance) C4'-P energy: -22.507
bonds (distance) P-C4' energy: -22.638
flat angles C4'-P-C4' energy: -19.032
flat angles P-C4'-P energy: -14.640
tors. eta vs tors. theta energy: -18.081
Dist. restrs. and SS energy: 1.755 (S_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: 229
Temperature: 1.200000
Total energy: -295.591313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.591313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.913783 (E_RNA)
where:
Base-Base interactions energy: -195.162
where: short stacking energy: -84.425
Base-Backbone interact. energy: -0.420
local terms energy: -101.331367
where:
bonds (distance) C4'-P energy: -20.307
bonds (distance) P-C4' energy: -22.659
flat angles C4'-P-C4' energy: -23.601
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -24.642
Dist. restrs. and SS energy: 1.322 (S_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: 229
Temperature: 1.250000
Total energy: -245.174365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.174365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.170480 (E_RNA)
where:
Base-Base interactions energy: -162.116
where: short stacking energy: -62.203
Base-Backbone interact. energy: 0.832
local terms energy: -85.886478
where:
bonds (distance) C4'-P energy: -18.000
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -22.387
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -12.725
Dist. restrs. and SS energy: 1.996 (S_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: 229
Temperature: 1.300000
Total energy: -235.931978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.931978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.129447 (E_RNA)
where:
Base-Base interactions energy: -163.888
where: short stacking energy: -71.086
Base-Backbone interact. energy: -0.433
local terms energy: -72.809074
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -8.811
flat angles C4'-P-C4' energy: -19.183
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -19.153
Dist. restrs. and SS energy: 1.197 (S_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: 229
Temperature: 1.350000
Total energy: -239.466947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.466947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.379104 (E_RNA)
where:
Base-Base interactions energy: -161.978
where: short stacking energy: -58.272
Base-Backbone interact. energy: -0.113
local terms energy: -80.288596
where:
bonds (distance) C4'-P energy: -19.718
bonds (distance) P-C4' energy: -18.452
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -13.597
tors. eta vs tors. theta energy: -11.387
Dist. restrs. and SS energy: 2.912 (S_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: 230
Temperature: 0.900000
Total energy: -359.246027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.246027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.170763 (E_RNA)
where:
Base-Base interactions energy: -245.542
where: short stacking energy: -92.906
Base-Backbone interact. energy: 1.102
local terms energy: -115.730500
where:
bonds (distance) C4'-P energy: -23.138
bonds (distance) P-C4' energy: -23.898
flat angles C4'-P-C4' energy: -19.224
flat angles P-C4'-P energy: -20.823
tors. eta vs tors. theta energy: -28.648
Dist. restrs. and SS energy: 0.925 (S_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: 230
Temperature: 0.950000
Total energy: -354.774906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.774906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.137955 (E_RNA)
where:
Base-Base interactions energy: -241.243
where: short stacking energy: -98.643
Base-Backbone interact. energy: -1.251
local terms energy: -113.643237
where:
bonds (distance) C4'-P energy: -24.320
bonds (distance) P-C4' energy: -24.014
flat angles C4'-P-C4' energy: -21.980
flat angles P-C4'-P energy: -16.476
tors. eta vs tors. theta energy: -26.852
Dist. restrs. and SS energy: 1.363 (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: 4
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -348.145164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.145164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.183207 (E_RNA)
where:
Base-Base interactions energy: -241.920
where: short stacking energy: -97.630
Base-Backbone interact. energy: -0.582
local terms energy: -107.681446
where:
bonds (distance) C4'-P energy: -26.841
bonds (distance) P-C4' energy: -19.715
flat angles C4'-P-C4' energy: -20.611
flat angles P-C4'-P energy: -14.376
tors. eta vs tors. theta energy: -26.137
Dist. restrs. and SS energy: 2.038 (S_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: 230
Temperature: 1.050000
Total energy: -346.240150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.240150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.087754 (E_RNA)
where:
Base-Base interactions energy: -250.379
where: short stacking energy: -91.350
Base-Backbone interact. energy: 0.665
local terms energy: -97.373526
where:
bonds (distance) C4'-P energy: -13.322
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -21.528
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: -29.476
Dist. restrs. and SS energy: 0.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -290.240254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.240254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.680119 (E_RNA)
where:
Base-Base interactions energy: -185.525
where: short stacking energy: -70.344
Base-Backbone interact. energy: -0.420
local terms energy: -104.735905
where:
bonds (distance) C4'-P energy: -23.494
bonds (distance) P-C4' energy: -23.615
flat angles C4'-P-C4' energy: -24.513
flat angles P-C4'-P energy: -16.750
tors. eta vs tors. theta energy: -16.363
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: 6
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -324.281579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.281579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.337214 (E_RNA)
where:
Base-Base interactions energy: -234.731
where: short stacking energy: -83.656
Base-Backbone interact. energy: 0.754
local terms energy: -90.360039
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -24.186
flat angles P-C4'-P energy: -15.708
tors. eta vs tors. theta energy: -23.453
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: 3
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -284.358107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.358107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.858745 (E_RNA)
where:
Base-Base interactions energy: -204.144
where: short stacking energy: -77.103
Base-Backbone interact. energy: -0.503
local terms energy: -84.210852
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -19.320
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -20.145
Dist. restrs. and SS energy: 4.501 (S_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: 230
Temperature: 1.250000
Total energy: -244.422412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.422412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.720938 (E_RNA)
where:
Base-Base interactions energy: -160.311
where: short stacking energy: -75.177
Base-Backbone interact. energy: 0.765
local terms energy: -91.175690
where:
bonds (distance) C4'-P energy: -21.817
bonds (distance) P-C4' energy: -21.176
flat angles C4'-P-C4' energy: -17.582
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -17.310
Dist. restrs. and SS energy: 6.299 (S_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: 230
Temperature: 1.300000
Total energy: -243.223715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.223715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.317367 (E_RNA)
where:
Base-Base interactions energy: -162.619
where: short stacking energy: -56.958
Base-Backbone interact. energy: -0.804
local terms energy: -79.893970
where:
bonds (distance) C4'-P energy: -20.752
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -14.209
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: 10, replica: 7
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -231.562192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.562192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.490858 (E_RNA)
where:
Base-Base interactions energy: -161.075
where: short stacking energy: -58.402
Base-Backbone interact. energy: 0.100
local terms energy: -73.515273
where:
bonds (distance) C4'-P energy: -18.632
bonds (distance) P-C4' energy: -11.662
flat angles C4'-P-C4' energy: -19.111
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -12.444
Dist. restrs. and SS energy: 2.929 (S_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: 231
Temperature: 0.900000
Total energy: -364.397193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.397193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.506918 (E_RNA)
where:
Base-Base interactions energy: -240.348
where: short stacking energy: -101.559
Base-Backbone interact. energy: -1.084
local terms energy: -123.075236
where:
bonds (distance) C4'-P energy: -24.424
bonds (distance) P-C4' energy: -25.764
flat angles C4'-P-C4' energy: -22.303
flat angles P-C4'-P energy: -19.636
tors. eta vs tors. theta energy: -30.948
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: 2, replica: 4
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -352.209548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.209548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.460980 (E_RNA)
where:
Base-Base interactions energy: -249.214
where: short stacking energy: -99.339
Base-Backbone interact. energy: -1.757
local terms energy: -102.490052
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -24.572
flat angles C4'-P-C4' energy: -19.237
flat angles P-C4'-P energy: -16.187
tors. eta vs tors. theta energy: -26.564
Dist. restrs. and SS energy: 1.251 (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: 9
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -347.265735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.265735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.058051 (E_RNA)
where:
Base-Base interactions energy: -237.512
where: short stacking energy: -92.500
Base-Backbone interact. energy: -0.888
local terms energy: -109.657284
where:
bonds (distance) C4'-P energy: -20.907
bonds (distance) P-C4' energy: -23.367
flat angles C4'-P-C4' energy: -22.206
flat angles P-C4'-P energy: -17.386
tors. eta vs tors. theta energy: -25.792
Dist. restrs. and SS energy: 0.792 (S_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: 231
Temperature: 1.050000
Total energy: -352.139436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.139436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.268770 (E_RNA)
where:
Base-Base interactions energy: -249.763
where: short stacking energy: -89.485
Base-Backbone interact. energy: 1.987
local terms energy: -105.493532
where:
bonds (distance) C4'-P energy: -22.196
bonds (distance) P-C4' energy: -20.983
flat angles C4'-P-C4' energy: -24.577
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -26.931
Dist. restrs. and SS energy: 1.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -302.227622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.227622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.751234 (E_RNA)
where:
Base-Base interactions energy: -216.057
where: short stacking energy: -94.926
Base-Backbone interact. energy: 0.163
local terms energy: -86.856826
where:
bonds (distance) C4'-P energy: -21.491
bonds (distance) P-C4' energy: -20.377
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -15.470
Dist. restrs. and SS energy: 0.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -303.171657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.171657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.171657 (E_RNA)
where:
Base-Base interactions energy: -204.430
where: short stacking energy: -79.157
Base-Backbone interact. energy: 1.339
local terms energy: -100.080486
where:
bonds (distance) C4'-P energy: -19.931
bonds (distance) P-C4' energy: -22.259
flat angles C4'-P-C4' energy: -20.586
flat angles P-C4'-P energy: -15.716
tors. eta vs tors. theta energy: -21.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -277.928670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.928670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.762993 (E_RNA)
where:
Base-Base interactions energy: -174.659
where: short stacking energy: -82.825
Base-Backbone interact. energy: 0.369
local terms energy: -106.472827
where:
bonds (distance) C4'-P energy: -21.308
bonds (distance) P-C4' energy: -22.368
flat angles C4'-P-C4' energy: -24.269
flat angles P-C4'-P energy: -19.649
tors. eta vs tors. theta energy: -18.879
Dist. restrs. and SS energy: 2.834 (S_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: 231
Temperature: 1.250000
Total energy: -258.784856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.784856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.192576 (E_RNA)
where:
Base-Base interactions energy: -167.622
where: short stacking energy: -57.415
Base-Backbone interact. energy: -0.403
local terms energy: -93.167568
where:
bonds (distance) C4'-P energy: -22.793
bonds (distance) P-C4' energy: -23.526
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -14.143
tors. eta vs tors. theta energy: -14.579
Dist. restrs. and SS energy: 2.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -258.141493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.141493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.828271 (E_RNA)
where:
Base-Base interactions energy: -174.341
where: short stacking energy: -66.376
Base-Backbone interact. energy: 0.169
local terms energy: -87.656119
where:
bonds (distance) C4'-P energy: -23.929
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -20.003
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -13.402
Dist. restrs. and SS energy: 3.687 (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: 231
Temperature: 1.350000
Total energy: -240.409032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.409032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.031512 (E_RNA)
where:
Base-Base interactions energy: -154.710
where: short stacking energy: -56.756
Base-Backbone interact. energy: 1.640
local terms energy: -87.961773
where:
bonds (distance) C4'-P energy: -19.002
bonds (distance) P-C4' energy: -20.688
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -14.306
tors. eta vs tors. theta energy: -16.262
Dist. restrs. and SS energy: 0.622 (S_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: 232
Temperature: 0.900000
Total energy: -365.693010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.693010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.189934 (E_RNA)
where:
Base-Base interactions energy: -259.779
where: short stacking energy: -102.354
Base-Backbone interact. energy: -0.829
local terms energy: -106.581946
where:
bonds (distance) C4'-P energy: -21.938
bonds (distance) P-C4' energy: -20.338
flat angles C4'-P-C4' energy: -20.437
flat angles P-C4'-P energy: -15.596
tors. eta vs tors. theta energy: -28.274
Dist. restrs. and SS energy: 1.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -363.956206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.956206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.426086 (E_RNA)
where:
Base-Base interactions energy: -254.679
where: short stacking energy: -99.957
Base-Backbone interact. energy: -1.042
local terms energy: -109.705131
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -22.097
flat angles C4'-P-C4' energy: -25.343
flat angles P-C4'-P energy: -16.385
tors. eta vs tors. theta energy: -26.796
Dist. restrs. and SS energy: 1.470 (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: 232
Temperature: 1.000000
Total energy: -362.569398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.569398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.708565 (E_RNA)
where:
Base-Base interactions energy: -252.565
where: short stacking energy: -101.266
Base-Backbone interact. energy: -0.783
local terms energy: -110.360340
where:
bonds (distance) C4'-P energy: -21.304
bonds (distance) P-C4' energy: -18.693
flat angles C4'-P-C4' energy: -27.165
flat angles P-C4'-P energy: -17.606
tors. eta vs tors. theta energy: -25.593
Dist. restrs. and SS energy: 1.139 (S_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: 232
Temperature: 1.050000
Total energy: -338.921261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.921261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.608323 (E_RNA)
where:
Base-Base interactions energy: -242.654
where: short stacking energy: -99.232
Base-Backbone interact. energy: -0.120
local terms energy: -97.834121
where:
bonds (distance) C4'-P energy: -17.309
bonds (distance) P-C4' energy: -21.419
flat angles C4'-P-C4' energy: -20.713
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -28.209
Dist. restrs. and SS energy: 1.687 (S_DIST_RNA)
chem. 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: -299.855648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.855648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.878556 (E_RNA)
where:
Base-Base interactions energy: -195.321
where: short stacking energy: -73.340
Base-Backbone interact. energy: 0.367
local terms energy: -104.924852
where:
bonds (distance) C4'-P energy: -25.981
bonds (distance) P-C4' energy: -23.307
flat angles C4'-P-C4' energy: -21.802
flat angles P-C4'-P energy: -15.869
tors. eta vs tors. theta energy: -17.965
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: 2
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -291.734022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.734022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.956609 (E_RNA)
where:
Base-Base interactions energy: -195.646
where: short stacking energy: -80.336
Base-Backbone interact. energy: -0.414
local terms energy: -95.897108
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -24.613
flat angles C4'-P-C4' energy: -24.142
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -20.098
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: 7, replica: 1
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -250.271317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.271317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.615595 (E_RNA)
where:
Base-Base interactions energy: -167.928
where: short stacking energy: -81.345
Base-Backbone interact. energy: 1.562
local terms energy: -89.250141
where:
bonds (distance) C4'-P energy: -18.066
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -22.319
flat angles P-C4'-P energy: -18.782
tors. eta vs tors. theta energy: -15.786
Dist. restrs. and SS energy: 5.344 (S_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: 232
Temperature: 1.250000
Total energy: -258.397959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.397959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.566726 (E_RNA)
where:
Base-Base interactions energy: -168.253
where: short stacking energy: -68.735
Base-Backbone interact. energy: -0.184
local terms energy: -96.130110
where:
bonds (distance) C4'-P energy: -20.359
bonds (distance) P-C4' energy: -20.753
flat angles C4'-P-C4' energy: -22.319
flat angles P-C4'-P energy: -16.366
tors. eta vs tors. theta energy: -16.333
Dist. restrs. and SS energy: 6.169 (S_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: 232
Temperature: 1.300000
Total energy: -254.549621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.549621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.075358 (E_RNA)
where:
Base-Base interactions energy: -160.044
where: short stacking energy: -66.502
Base-Backbone interact. energy: 0.876
local terms energy: -95.907755
where:
bonds (distance) C4'-P energy: -20.441
bonds (distance) P-C4' energy: -19.296
flat angles C4'-P-C4' energy: -25.406
flat angles P-C4'-P energy: -15.082
tors. eta vs tors. theta energy: -15.683
Dist. restrs. and SS energy: 0.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -233.558886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.558886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.684154 (E_RNA)
where:
Base-Base interactions energy: -156.487
where: short stacking energy: -60.830
Base-Backbone interact. energy: -0.067
local terms energy: -82.129876
where:
bonds (distance) C4'-P energy: -25.307
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -20.466
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -12.580
Dist. restrs. and SS energy: 5.125 (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: 4
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -365.506854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.506854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.580203 (E_RNA)
where:
Base-Base interactions energy: -261.208
where: short stacking energy: -96.498
Base-Backbone interact. energy: 0.170
local terms energy: -105.542005
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -22.322
flat angles C4'-P-C4' energy: -26.926
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -28.353
Dist. restrs. and SS energy: 1.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -359.225994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.225994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.254701 (E_RNA)
where:
Base-Base interactions energy: -248.003
where: short stacking energy: -87.152
Base-Backbone interact. energy: -0.869
local terms energy: -110.383291
where:
bonds (distance) C4'-P energy: -20.541
bonds (distance) P-C4' energy: -17.532
flat angles C4'-P-C4' energy: -25.282
flat angles P-C4'-P energy: -19.424
tors. eta vs tors. theta energy: -27.604
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: 10
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -351.588347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.588347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.853922 (E_RNA)
where:
Base-Base interactions energy: -242.919
where: short stacking energy: -87.397
Base-Backbone interact. energy: -0.263
local terms energy: -108.671762
where:
bonds (distance) C4'-P energy: -26.287
bonds (distance) P-C4' energy: -24.616
flat angles C4'-P-C4' energy: -20.662
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -24.306
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: 233
Temperature: 1.050000
Total energy: -338.822611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.822611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.795283 (E_RNA)
where:
Base-Base interactions energy: -234.662
where: short stacking energy: -96.172
Base-Backbone interact. energy: -0.031
local terms energy: -105.102700
where:
bonds (distance) C4'-P energy: -23.394
bonds (distance) P-C4' energy: -19.554
flat angles C4'-P-C4' energy: -19.875
flat angles P-C4'-P energy: -13.596
tors. eta vs tors. theta energy: -28.683
Dist. restrs. and SS energy: 0.973 (S_DIST_RNA)
chem. 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: -300.775235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.775235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.124846 (E_RNA)
where:
Base-Base interactions energy: -205.038
where: short stacking energy: -77.776
Base-Backbone interact. energy: -0.763
local terms energy: -95.323712
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -25.584
flat angles C4'-P-C4' energy: -19.977
flat angles P-C4'-P energy: -15.333
tors. eta vs tors. theta energy: -18.222
Dist. restrs. and SS energy: 0.350 (S_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: 233
Temperature: 1.150000
Total energy: -292.149718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.149718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.395197 (E_RNA)
where:
Base-Base interactions energy: -203.235
where: short stacking energy: -86.283
Base-Backbone interact. energy: -1.219
local terms energy: -87.941181
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -23.657
flat angles C4'-P-C4' energy: -20.875
flat angles P-C4'-P energy: -14.390
tors. eta vs tors. theta energy: -14.556
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: 7, replica: 1
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -268.777749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.777749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.832596 (E_RNA)
where:
Base-Base interactions energy: -179.741
where: short stacking energy: -68.849
Base-Backbone interact. energy: 0.671
local terms energy: -90.762121
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -22.230
flat angles P-C4'-P energy: -14.895
tors. eta vs tors. theta energy: -18.560
Dist. restrs. and SS energy: 1.055 (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: 7
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -261.543968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.543968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.293617 (E_RNA)
where:
Base-Base interactions energy: -165.999
where: short stacking energy: -71.225
Base-Backbone interact. energy: -0.092
local terms energy: -97.202982
where:
bonds (distance) C4'-P energy: -19.687
bonds (distance) P-C4' energy: -18.431
flat angles C4'-P-C4' energy: -19.127
flat angles P-C4'-P energy: -15.042
tors. eta vs tors. theta energy: -24.917
Dist. restrs. and SS energy: 1.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -239.975185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.975185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.417443 (E_RNA)
where:
Base-Base interactions energy: -160.994
where: short stacking energy: -56.585
Base-Backbone interact. energy: -0.927
local terms energy: -81.497017
where:
bonds (distance) C4'-P energy: -19.709
bonds (distance) P-C4' energy: -20.789
flat angles C4'-P-C4' energy: -19.220
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -9.857
Dist. restrs. and SS energy: 3.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -229.142432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.142432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.005324 (E_RNA)
where:
Base-Base interactions energy: -149.517
where: short stacking energy: -65.752
Base-Backbone interact. energy: -0.256
local terms energy: -86.232422
where:
bonds (distance) C4'-P energy: -22.727
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -18.480
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -18.780
Dist. restrs. and SS energy: 6.863 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -367.981336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.981336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.134547 (E_RNA)
where:
Base-Base interactions energy: -256.453
where: short stacking energy: -96.359
Base-Backbone interact. energy: 0.841
local terms energy: -113.522881
where:
bonds (distance) C4'-P energy: -23.308
bonds (distance) P-C4' energy: -22.183
flat angles C4'-P-C4' energy: -24.290
flat angles P-C4'-P energy: -15.986
tors. eta vs tors. theta energy: -27.756
Dist. restrs. and SS energy: 1.153 (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: 234
Temperature: 0.950000
Total energy: -354.331365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.331365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.760704 (E_RNA)
where:
Base-Base interactions energy: -248.212
where: short stacking energy: -104.055
Base-Backbone interact. energy: -0.214
local terms energy: -107.334699
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -22.965
flat angles C4'-P-C4' energy: -22.839
flat angles P-C4'-P energy: -17.110
tors. eta vs tors. theta energy: -28.520
Dist. restrs. and SS energy: 1.429 (S_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: 234
Temperature: 1.000000
Total energy: -356.728549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.728549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.543832 (E_RNA)
where:
Base-Base interactions energy: -246.511
where: short stacking energy: -94.417
Base-Backbone interact. energy: 0.138
local terms energy: -111.171310
where:
bonds (distance) C4'-P energy: -20.400
bonds (distance) P-C4' energy: -22.308
flat angles C4'-P-C4' energy: -23.898
flat angles P-C4'-P energy: -16.124
tors. eta vs tors. theta energy: -28.442
Dist. restrs. and SS energy: 0.815 (S_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: 234
Temperature: 1.050000
Total energy: -343.404907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.404907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.886190 (E_RNA)
where:
Base-Base interactions energy: -237.632
where: short stacking energy: -93.302
Base-Backbone interact. energy: -0.919
local terms energy: -105.334547
where:
bonds (distance) C4'-P energy: -22.525
bonds (distance) P-C4' energy: -21.189
flat angles C4'-P-C4' energy: -22.255
flat angles P-C4'-P energy: -14.077
tors. eta vs tors. theta energy: -25.287
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: 2
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -296.779802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.779802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.222851 (E_RNA)
where:
Base-Base interactions energy: -199.696
where: short stacking energy: -85.117
Base-Backbone interact. energy: 0.067
local terms energy: -97.593417
where:
bonds (distance) C4'-P energy: -21.813
bonds (distance) P-C4' energy: -21.673
flat angles C4'-P-C4' energy: -21.328
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -19.366
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: 6
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -293.940501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.940501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.318048 (E_RNA)
where:
Base-Base interactions energy: -203.594
where: short stacking energy: -75.106
Base-Backbone interact. energy: -2.331
local terms energy: -88.392682
where:
bonds (distance) C4'-P energy: -19.994
bonds (distance) P-C4' energy: -22.525
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -13.332
tors. eta vs tors. theta energy: -15.505
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: 7, replica: 7
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -271.173787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.173787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.950476 (E_RNA)
where:
Base-Base interactions energy: -174.999
where: short stacking energy: -79.809
Base-Backbone interact. energy: -0.461
local terms energy: -102.491003
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -21.949
flat angles P-C4'-P energy: -15.750
tors. eta vs tors. theta energy: -23.344
Dist. restrs. and SS energy: 6.777 (S_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: 234
Temperature: 1.250000
Total energy: -256.727708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.727708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.320546 (E_RNA)
where:
Base-Base interactions energy: -165.546
where: short stacking energy: -77.197
Base-Backbone interact. energy: -0.122
local terms energy: -96.652854
where:
bonds (distance) C4'-P energy: -19.982
bonds (distance) P-C4' energy: -21.992
flat angles C4'-P-C4' energy: -19.789
flat angles P-C4'-P energy: -15.520
tors. eta vs tors. theta energy: -19.370
Dist. restrs. and SS energy: 5.593 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -231.323753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.323753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.363611 (E_RNA)
where:
Base-Base interactions energy: -158.133
where: short stacking energy: -71.625
Base-Backbone interact. energy: -0.464
local terms energy: -81.766682
where:
bonds (distance) C4'-P energy: -18.855
bonds (distance) P-C4' energy: -19.387
flat angles C4'-P-C4' energy: -23.545
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -10.729
Dist. restrs. and SS energy: 9.040 (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: 5
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -240.562487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.562487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.771219 (E_RNA)
where:
Base-Base interactions energy: -145.492
where: short stacking energy: -59.390
Base-Backbone interact. energy: -0.047
local terms energy: -96.232720
where:
bonds (distance) C4'-P energy: -16.746
bonds (distance) P-C4' energy: -23.372
flat angles C4'-P-C4' energy: -24.356
flat angles P-C4'-P energy: -17.603
tors. eta vs tors. theta energy: -14.155
Dist. restrs. and SS energy: 1.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -360.749916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.749916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.148692 (E_RNA)
where:
Base-Base interactions energy: -245.853
where: short stacking energy: -99.287
Base-Backbone interact. energy: -0.581
local terms energy: -115.714837
where:
bonds (distance) C4'-P energy: -23.961
bonds (distance) P-C4' energy: -22.229
flat angles C4'-P-C4' energy: -21.112
flat angles P-C4'-P energy: -19.903
tors. eta vs tors. theta energy: -28.510
Dist. restrs. and SS energy: 1.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -372.356106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.356106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.763688 (E_RNA)
where:
Base-Base interactions energy: -259.152
where: short stacking energy: -102.710
Base-Backbone interact. energy: -0.859
local terms energy: -112.752371
where:
bonds (distance) C4'-P energy: -23.928
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -24.070
flat angles P-C4'-P energy: -19.346
tors. eta vs tors. theta energy: -30.018
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: 3, replica: 4
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -352.689314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.689314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.382267 (E_RNA)
where:
Base-Base interactions energy: -247.331
where: short stacking energy: -95.715
Base-Backbone interact. energy: -0.915
local terms energy: -106.136305
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -19.164
flat angles C4'-P-C4' energy: -23.532
flat angles P-C4'-P energy: -17.923
tors. eta vs tors. theta energy: -30.629
Dist. restrs. and SS energy: 1.693 (S_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: 235
Temperature: 1.050000
Total energy: -351.503102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.503102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.699278 (E_RNA)
where:
Base-Base interactions energy: -245.807
where: short stacking energy: -110.551
Base-Backbone interact. energy: -0.985
local terms energy: -104.907105
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -22.258
flat angles C4'-P-C4' energy: -22.266
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: -31.382
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: 5, replica: 2
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -307.931650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.931650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.937768 (E_RNA)
where:
Base-Base interactions energy: -204.926
where: short stacking energy: -85.331
Base-Backbone interact. energy: -1.018
local terms energy: -101.994361
where:
bonds (distance) C4'-P energy: -19.023
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -24.142
flat angles P-C4'-P energy: -16.652
tors. eta vs tors. theta energy: -22.632
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: 235
Temperature: 1.150000
Total energy: -283.453961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.453961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.560967 (E_RNA)
where:
Base-Base interactions energy: -195.128
where: short stacking energy: -72.899
Base-Backbone interact. energy: -0.219
local terms energy: -88.214137
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -24.572
flat angles C4'-P-C4' energy: -19.217
flat angles P-C4'-P energy: -18.375
tors. eta vs tors. theta energy: -15.718
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: 7
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -264.880724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.880724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.932828 (E_RNA)
where:
Base-Base interactions energy: -171.036
where: short stacking energy: -79.263
Base-Backbone interact. energy: -0.153
local terms energy: -94.744275
where:
bonds (distance) C4'-P energy: -20.677
bonds (distance) P-C4' energy: -17.341
flat angles C4'-P-C4' energy: -24.694
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -23.006
Dist. restrs. and SS energy: 1.052 (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: 235
Temperature: 1.250000
Total energy: -251.361947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.361947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.650859 (E_RNA)
where:
Base-Base interactions energy: -173.997
where: short stacking energy: -61.605
Base-Backbone interact. energy: -1.072
local terms energy: -76.581719
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -11.732
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -14.169
tors. eta vs tors. theta energy: -19.987
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: 9, replica: 1
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -261.484892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.484892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.280690 (E_RNA)
where:
Base-Base interactions energy: -172.232
where: short stacking energy: -68.046
Base-Backbone interact. energy: -1.373
local terms energy: -90.676323
where:
bonds (distance) C4'-P energy: -22.155
bonds (distance) P-C4' energy: -23.024
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -17.445
Dist. restrs. and SS energy: 2.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -250.841351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.841351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.233434 (E_RNA)
where:
Base-Base interactions energy: -170.492
where: short stacking energy: -69.749
Base-Backbone interact. energy: -0.578
local terms energy: -81.163256
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -23.400
flat angles C4'-P-C4' energy: -18.975
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: -11.863
Dist. restrs. and SS energy: 1.392 (S_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: 236
Temperature: 0.900000
Total energy: -375.272519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.272519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.701438 (E_RNA)
where:
Base-Base interactions energy: -266.105
where: short stacking energy: -105.160
Base-Backbone interact. energy: 2.177
local terms energy: -111.773846
where:
bonds (distance) C4'-P energy: -23.688
bonds (distance) P-C4' energy: -21.879
flat angles C4'-P-C4' energy: -19.148
flat angles P-C4'-P energy: -18.119
tors. eta vs tors. theta energy: -28.940
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: 8
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -353.938632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.938632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.899600 (E_RNA)
where:
Base-Base interactions energy: -246.192
where: short stacking energy: -102.431
Base-Backbone interact. energy: -0.575
local terms energy: -108.132738
where:
bonds (distance) C4'-P energy: -23.730
bonds (distance) P-C4' energy: -19.019
flat angles C4'-P-C4' energy: -24.478
flat angles P-C4'-P energy: -16.409
tors. eta vs tors. theta energy: -24.497
Dist. restrs. and SS energy: 0.961 (S_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: 236
Temperature: 1.000000
Total energy: -354.268798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.268798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.988693 (E_RNA)
where:
Base-Base interactions energy: -238.697
where: short stacking energy: -99.640
Base-Backbone interact. energy: -1.213
local terms energy: -115.078892
where:
bonds (distance) C4'-P energy: -22.297
bonds (distance) P-C4' energy: -24.448
flat angles C4'-P-C4' energy: -23.546
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -30.331
Dist. restrs. and SS energy: 0.720 (S_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: 236
Temperature: 1.050000
Total energy: -340.247612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.247612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.318985 (E_RNA)
where:
Base-Base interactions energy: -235.519
where: short stacking energy: -90.350
Base-Backbone interact. energy: -0.012
local terms energy: -105.788302
where:
bonds (distance) C4'-P energy: -18.330
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -23.622
flat angles P-C4'-P energy: -13.841
tors. eta vs tors. theta energy: -30.667
Dist. restrs. and SS energy: 1.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -291.620777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.620777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.180205 (E_RNA)
where:
Base-Base interactions energy: -196.980
where: short stacking energy: -76.616
Base-Backbone interact. energy: -1.378
local terms energy: -93.821334
where:
bonds (distance) C4'-P energy: -19.076
bonds (distance) P-C4' energy: -20.343
flat angles C4'-P-C4' energy: -21.435
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -21.659
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: 6, replica: 2
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -277.229202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.229202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.963652 (E_RNA)
where:
Base-Base interactions energy: -175.525
where: short stacking energy: -84.282
Base-Backbone interact. energy: -0.339
local terms energy: -105.099716
where:
bonds (distance) C4'-P energy: -24.582
bonds (distance) P-C4' energy: -19.047
flat angles C4'-P-C4' energy: -25.387
flat angles P-C4'-P energy: -15.889
tors. eta vs tors. theta energy: -20.195
Dist. restrs. and SS energy: 3.734 (S_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: 236
Temperature: 1.200000
Total energy: -256.695169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.695169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.717032 (E_RNA)
where:
Base-Base interactions energy: -172.948
where: short stacking energy: -61.401
Base-Backbone interact. energy: -0.188
local terms energy: -84.581654
where:
bonds (distance) C4'-P energy: -19.667
bonds (distance) P-C4' energy: -22.853
flat angles C4'-P-C4' energy: -19.924
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -9.783
Dist. restrs. and SS energy: 1.022 (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: 3
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -225.845189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.845189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.097522 (E_RNA)
where:
Base-Base interactions energy: -138.171
where: short stacking energy: -55.634
Base-Backbone interact. energy: 1.040
local terms energy: -92.966094
where:
bonds (distance) C4'-P energy: -21.336
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -23.265
flat angles P-C4'-P energy: -15.025
tors. eta vs tors. theta energy: -13.839
Dist. restrs. and SS energy: 4.252 (S_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: 236
Temperature: 1.300000
Total energy: -243.470110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.470110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.572861 (E_RNA)
where:
Base-Base interactions energy: -152.332
where: short stacking energy: -61.121
Base-Backbone interact. energy: -0.210
local terms energy: -93.031401
where:
bonds (distance) C4'-P energy: -17.884
bonds (distance) P-C4' energy: -22.034
flat angles C4'-P-C4' energy: -21.795
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -17.895
Dist. restrs. and SS energy: 2.103 (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: 1
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -220.480033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.480033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.919505 (E_RNA)
where:
Base-Base interactions energy: -143.185
where: short stacking energy: -62.075
Base-Backbone interact. energy: -1.545
local terms energy: -76.190321
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -20.629
flat angles C4'-P-C4' energy: -18.860
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -7.102
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: 1, replica: 10
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -366.048811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.048811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.010013 (E_RNA)
where:
Base-Base interactions energy: -254.290
where: short stacking energy: -97.425
Base-Backbone interact. energy: -0.671
local terms energy: -112.049445
where:
bonds (distance) C4'-P energy: -19.800
bonds (distance) P-C4' energy: -21.509
flat angles C4'-P-C4' energy: -23.218
flat angles P-C4'-P energy: -18.156
tors. eta vs tors. theta energy: -29.367
Dist. restrs. and SS energy: 0.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -357.730664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.730664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.080735 (E_RNA)
where:
Base-Base interactions energy: -242.392
where: short stacking energy: -99.335
Base-Backbone interact. energy: -1.307
local terms energy: -115.381279
where:
bonds (distance) C4'-P energy: -23.859
bonds (distance) P-C4' energy: -24.089
flat angles C4'-P-C4' energy: -27.204
flat angles P-C4'-P energy: -13.915
tors. eta vs tors. theta energy: -26.315
Dist. restrs. and SS energy: 1.350 (S_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: 237
Temperature: 1.000000
Total energy: -341.059218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.059218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.724514 (E_RNA)
where:
Base-Base interactions energy: -239.326
where: short stacking energy: -91.732
Base-Backbone interact. energy: -0.593
local terms energy: -101.805217
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -23.499
flat angles P-C4'-P energy: -20.128
tors. eta vs tors. theta energy: -27.754
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: 4, replica: 4
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -341.168221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.168221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.998232 (E_RNA)
where:
Base-Base interactions energy: -236.584
where: short stacking energy: -94.174
Base-Backbone interact. energy: -0.993
local terms energy: -105.421555
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -23.357
flat angles C4'-P-C4' energy: -23.313
flat angles P-C4'-P energy: -17.887
tors. eta vs tors. theta energy: -26.437
Dist. restrs. and SS energy: 1.830 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -282.387662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.387662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.606288 (E_RNA)
where:
Base-Base interactions energy: -199.543
where: short stacking energy: -75.186
Base-Backbone interact. energy: -0.547
local terms energy: -82.516908
where:
bonds (distance) C4'-P energy: -11.261
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -18.636
flat angles P-C4'-P energy: -17.197
tors. eta vs tors. theta energy: -17.787
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: 7
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -286.911391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.911391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.006267 (E_RNA)
where:
Base-Base interactions energy: -192.232
where: short stacking energy: -89.207
Base-Backbone interact. energy: -0.589
local terms energy: -95.185513
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -22.848
flat angles P-C4'-P energy: -17.123
tors. eta vs tors. theta energy: -19.729
Dist. restrs. and SS energy: 1.095 (S_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: 237
Temperature: 1.200000
Total energy: -252.532279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.532279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.532279 (E_RNA)
where:
Base-Base interactions energy: -162.473
where: short stacking energy: -60.795
Base-Backbone interact. energy: -1.957
local terms energy: -88.102666
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -20.912
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -19.033
tors. eta vs tors. theta energy: -10.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -257.164904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.164904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.862473 (E_RNA)
where:
Base-Base interactions energy: -166.054
where: short stacking energy: -72.653
Base-Backbone interact. energy: -0.255
local terms energy: -92.553621
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -21.175
flat angles C4'-P-C4' energy: -19.406
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -23.004
Dist. restrs. and SS energy: 1.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -222.723423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.723423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.029007 (E_RNA)
where:
Base-Base interactions energy: -149.613
where: short stacking energy: -56.286
Base-Backbone interact. energy: -0.259
local terms energy: -74.157217
where:
bonds (distance) C4'-P energy: -18.872
bonds (distance) P-C4' energy: -22.865
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -15.232
tors. eta vs tors. theta energy: -3.169
Dist. restrs. and SS energy: 1.306 (S_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: 237
Temperature: 1.350000
Total energy: -215.551241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.551241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.756073 (E_RNA)
where:
Base-Base interactions energy: -156.827
where: short stacking energy: -62.327
Base-Backbone interact. energy: 2.662
local terms energy: -63.590696
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -8.082
Dist. restrs. and SS energy: 2.205 (S_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: 238
Temperature: 0.900000
Total energy: -368.183940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.183940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.666120 (E_RNA)
where:
Base-Base interactions energy: -250.530
where: short stacking energy: -101.147
Base-Backbone interact. energy: -0.487
local terms energy: -118.649181
where:
bonds (distance) C4'-P energy: -21.131
bonds (distance) P-C4' energy: -23.105
flat angles C4'-P-C4' energy: -23.801
flat angles P-C4'-P energy: -20.557
tors. eta vs tors. theta energy: -30.055
Dist. restrs. and SS energy: 1.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -350.127012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.127012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.650254 (E_RNA)
where:
Base-Base interactions energy: -241.294
where: short stacking energy: -96.099
Base-Backbone interact. energy: -2.419
local terms energy: -106.937101
where:
bonds (distance) C4'-P energy: -20.193
bonds (distance) P-C4' energy: -25.458
flat angles C4'-P-C4' energy: -19.789
flat angles P-C4'-P energy: -14.529
tors. eta vs tors. theta energy: -26.967
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: 3, replica: 4
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -340.581165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.581165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.592181 (E_RNA)
where:
Base-Base interactions energy: -243.233
where: short stacking energy: -92.641
Base-Backbone interact. energy: -0.307
local terms energy: -99.051508
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -23.634
flat angles C4'-P-C4' energy: -19.358
flat angles P-C4'-P energy: -15.646
tors. eta vs tors. theta energy: -23.196
Dist. restrs. and SS energy: 2.011 (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: 9
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -347.118243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.118243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.702679 (E_RNA)
where:
Base-Base interactions energy: -237.778
where: short stacking energy: -102.584
Base-Backbone interact. energy: -0.568
local terms energy: -109.356951
where:
bonds (distance) C4'-P energy: -18.676
bonds (distance) P-C4' energy: -20.417
flat angles C4'-P-C4' energy: -24.265
flat angles P-C4'-P energy: -18.044
tors. eta vs tors. theta energy: -27.955
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: 5, replica: 7
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -304.068221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.068221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.964219 (E_RNA)
where:
Base-Base interactions energy: -207.849
where: short stacking energy: -81.128
Base-Backbone interact. energy: -0.311
local terms energy: -96.804144
where:
bonds (distance) C4'-P energy: -20.927
bonds (distance) P-C4' energy: -21.107
flat angles C4'-P-C4' energy: -22.140
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -20.259
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: 6, replica: 6
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -286.130988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.130988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.383968 (E_RNA)
where:
Base-Base interactions energy: -196.126
where: short stacking energy: -87.982
Base-Backbone interact. energy: -0.915
local terms energy: -89.343664
where:
bonds (distance) C4'-P energy: -18.656
bonds (distance) P-C4' energy: -20.044
flat angles C4'-P-C4' energy: -18.941
flat angles P-C4'-P energy: -13.217
tors. eta vs tors. theta energy: -18.486
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: 238
Temperature: 1.200000
Total energy: -277.888880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.888880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.881491 (E_RNA)
where:
Base-Base interactions energy: -192.160
where: short stacking energy: -91.076
Base-Backbone interact. energy: -0.114
local terms energy: -91.607496
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -21.093
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -17.079
tors. eta vs tors. theta energy: -20.462
Dist. restrs. and SS energy: 5.993 (S_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: 238
Temperature: 1.250000
Total energy: -249.005226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.005226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.970092 (E_RNA)
where:
Base-Base interactions energy: -162.172
where: short stacking energy: -57.902
Base-Backbone interact. energy: -0.865
local terms energy: -86.933066
where:
bonds (distance) C4'-P energy: -19.230
bonds (distance) P-C4' energy: -25.716
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -14.266
Dist. restrs. and SS energy: 0.965 (S_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: 238
Temperature: 1.300000
Total energy: -214.359088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.359088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.932179 (E_RNA)
where:
Base-Base interactions energy: -142.247
where: short stacking energy: -51.249
Base-Backbone interact. energy: -0.448
local terms energy: -73.236994
where:
bonds (distance) C4'-P energy: -25.427
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -11.410
flat angles P-C4'-P energy: -17.316
tors. eta vs tors. theta energy: -4.244
Dist. restrs. and SS energy: 1.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -209.728426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.728426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.144576 (E_RNA)
where:
Base-Base interactions energy: -144.922
where: short stacking energy: -51.577
Base-Backbone interact. energy: -0.051
local terms energy: -68.171293
where:
bonds (distance) C4'-P energy: -10.257
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -19.972
flat angles P-C4'-P energy: -18.452
tors. eta vs tors. theta energy: -4.786
Dist. restrs. and SS energy: 3.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -374.506829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.506829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.637307 (E_RNA)
where:
Base-Base interactions energy: -255.104
where: short stacking energy: -97.402
Base-Backbone interact. energy: -0.767
local terms energy: -118.765975
where:
bonds (distance) C4'-P energy: -24.565
bonds (distance) P-C4' energy: -25.358
flat angles C4'-P-C4' energy: -25.576
flat angles P-C4'-P energy: -16.294
tors. eta vs tors. theta energy: -26.974
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: 2, replica: 4
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -351.127183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.127183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.441291 (E_RNA)
where:
Base-Base interactions energy: -241.107
where: short stacking energy: -96.772
Base-Backbone interact. energy: 0.341
local terms energy: -111.675426
where:
bonds (distance) C4'-P energy: -26.519
bonds (distance) P-C4' energy: -22.159
flat angles C4'-P-C4' energy: -23.986
flat angles P-C4'-P energy: -13.315
tors. eta vs tors. theta energy: -25.696
Dist. restrs. and SS energy: 1.314 (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: 8
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -347.034751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.034751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.582185 (E_RNA)
where:
Base-Base interactions energy: -249.751
where: short stacking energy: -92.521
Base-Backbone interact. energy: -1.307
local terms energy: -96.523947
where:
bonds (distance) C4'-P energy: -20.669
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -22.245
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -27.796
Dist. restrs. and SS energy: 0.547 (S_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: 239
Temperature: 1.050000
Total energy: -343.336668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.336668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.703588 (E_RNA)
where:
Base-Base interactions energy: -239.209
where: short stacking energy: -95.122
Base-Backbone interact. energy: -1.918
local terms energy: -103.576594
where:
bonds (distance) C4'-P energy: -20.768
bonds (distance) P-C4' energy: -21.429
flat angles C4'-P-C4' energy: -18.154
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -30.484
Dist. restrs. and SS energy: 1.367 (S_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: 239
Temperature: 1.100000
Total energy: -295.137687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.137687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.687592 (E_RNA)
where:
Base-Base interactions energy: -197.146
where: short stacking energy: -69.462
Base-Backbone interact. energy: -0.907
local terms energy: -97.634644
where:
bonds (distance) C4'-P energy: -22.955
bonds (distance) P-C4' energy: -26.747
flat angles C4'-P-C4' energy: -19.348
flat angles P-C4'-P energy: -16.280
tors. eta vs tors. theta energy: -12.304
Dist. restrs. and SS energy: 0.550 (S_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: 239
Temperature: 1.150000
Total energy: -285.775689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.775689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.876552 (E_RNA)
where:
Base-Base interactions energy: -190.553
where: short stacking energy: -74.941
Base-Backbone interact. energy: -0.292
local terms energy: -95.031244
where:
bonds (distance) C4'-P energy: -21.018
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -23.006
flat angles P-C4'-P energy: -17.678
tors. eta vs tors. theta energy: -17.425
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: 6
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -266.514021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.514021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.089988 (E_RNA)
where:
Base-Base interactions energy: -198.307
where: short stacking energy: -83.288
Base-Backbone interact. energy: -0.171
local terms energy: -75.612120
where:
bonds (distance) C4'-P energy: -20.024
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -6.413
tors. eta vs tors. theta energy: -17.010
Dist. restrs. and SS energy: 7.576 (S_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: 239
Temperature: 1.250000
Total energy: -249.391091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.391091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.702848 (E_RNA)
where:
Base-Base interactions energy: -164.393
where: short stacking energy: -74.725
Base-Backbone interact. energy: -0.719
local terms energy: -84.589916
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -10.679
flat angles C4'-P-C4' energy: -22.231
flat angles P-C4'-P energy: -15.733
tors. eta vs tors. theta energy: -21.909
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: 9, replica: 1
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -212.568154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.568154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.076497 (E_RNA)
where:
Base-Base interactions energy: -134.151
where: short stacking energy: -59.451
Base-Backbone interact. energy: -1.103
local terms energy: -81.822540
where:
bonds (distance) C4'-P energy: -21.953
bonds (distance) P-C4' energy: -19.597
flat angles C4'-P-C4' energy: -21.531
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -8.433
Dist. restrs. and SS energy: 4.508 (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: 3
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -203.418356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.418356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.105026 (E_RNA)
where:
Base-Base interactions energy: -133.926
where: short stacking energy: -49.705
Base-Backbone interact. energy: -0.465
local terms energy: -73.714447
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -21.644
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -7.379
Dist. restrs. and SS energy: 4.687 (S_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: 240
Temperature: 0.900000
Total energy: -365.715659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.715659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.455064 (E_RNA)
where:
Base-Base interactions energy: -256.853
where: short stacking energy: -102.555
Base-Backbone interact. energy: -1.081
local terms energy: -109.520719
where:
bonds (distance) C4'-P energy: -21.303
bonds (distance) P-C4' energy: -20.598
flat angles C4'-P-C4' energy: -24.457
flat angles P-C4'-P energy: -16.229
tors. eta vs tors. theta energy: -26.933
Dist. restrs. and SS energy: 1.739 (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: 10
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -360.076992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.076992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.942120 (E_RNA)
where:
Base-Base interactions energy: -252.910
where: short stacking energy: -89.472
Base-Backbone interact. energy: 3.143
local terms energy: -111.174492
where:
bonds (distance) C4'-P energy: -21.561
bonds (distance) P-C4' energy: -21.069
flat angles C4'-P-C4' energy: -19.579
flat angles P-C4'-P energy: -18.794
tors. eta vs tors. theta energy: -30.171
Dist. restrs. and SS energy: 0.865 (S_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: 240
Temperature: 1.000000
Total energy: -355.657531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.657531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.375903 (E_RNA)
where:
Base-Base interactions energy: -250.742
where: short stacking energy: -99.184
Base-Backbone interact. energy: -0.597
local terms energy: -106.036164
where:
bonds (distance) C4'-P energy: -20.935
bonds (distance) P-C4' energy: -21.120
flat angles C4'-P-C4' energy: -20.660
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -29.785
Dist. restrs. and SS energy: 1.718 (S_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: 240
Temperature: 1.050000
Total energy: -352.136160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.136160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.630207 (E_RNA)
where:
Base-Base interactions energy: -245.405
where: short stacking energy: -87.857
Base-Backbone interact. energy: -0.659
local terms energy: -106.566129
where:
bonds (distance) C4'-P energy: -19.005
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -20.580
flat angles P-C4'-P energy: -21.162
tors. eta vs tors. theta energy: -29.790
Dist. restrs. and SS energy: 0.494 (S_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: 240
Temperature: 1.100000
Total energy: -311.814777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.814777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.264953 (E_RNA)
where:
Base-Base interactions energy: -222.459
where: short stacking energy: -83.652
Base-Backbone interact. energy: -2.008
local terms energy: -87.797428
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -22.651
flat angles P-C4'-P energy: -14.366
tors. eta vs tors. theta energy: -19.478
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: 6, replica: 5
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -270.653071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.653071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.738567 (E_RNA)
where:
Base-Base interactions energy: -179.469
where: short stacking energy: -66.102
Base-Backbone interact. energy: -1.143
local terms energy: -90.126035
where:
bonds (distance) C4'-P energy: -20.032
bonds (distance) P-C4' energy: -24.260
flat angles C4'-P-C4' energy: -20.108
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -13.906
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: 2
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -255.407182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.407182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.672206 (E_RNA)
where:
Base-Base interactions energy: -166.128
where: short stacking energy: -71.558
Base-Backbone interact. energy: -0.514
local terms energy: -95.029983
where:
bonds (distance) C4'-P energy: -18.849
bonds (distance) P-C4' energy: -24.632
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -16.036
tors. eta vs tors. theta energy: -19.786
Dist. restrs. and SS energy: 6.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -236.919452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.919452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.055355 (E_RNA)
where:
Base-Base interactions energy: -155.934
where: short stacking energy: -71.753
Base-Backbone interact. energy: -0.358
local terms energy: -91.763232
where:
bonds (distance) C4'-P energy: -19.378
bonds (distance) P-C4' energy: -19.651
flat angles C4'-P-C4' energy: -21.760
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -17.322
Dist. restrs. and SS energy: 11.136 (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: 3
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -230.610548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.610548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.523463 (E_RNA)
where:
Base-Base interactions energy: -149.001
where: short stacking energy: -59.310
Base-Backbone interact. energy: -0.861
local terms energy: -83.661847
where:
bonds (distance) C4'-P energy: -20.323
bonds (distance) P-C4' energy: -18.447
flat angles C4'-P-C4' energy: -19.239
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -12.751
Dist. restrs. and SS energy: 2.913 (S_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: 240
Temperature: 1.350000
Total energy: -214.676062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.676062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.613765 (E_RNA)
where:
Base-Base interactions energy: -134.391
where: short stacking energy: -60.366
Base-Backbone interact. energy: 2.427
local terms energy: -85.649874
where:
bonds (distance) C4'-P energy: -20.210
bonds (distance) P-C4' energy: -24.483
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -14.644
Dist. restrs. and SS energy: 2.938 (S_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: 241
Temperature: 0.900000
Total energy: -364.404599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.404599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.667227 (E_RNA)
where:
Base-Base interactions energy: -250.981
where: short stacking energy: -92.822
Base-Backbone interact. energy: -0.803
local terms energy: -113.883235
where:
bonds (distance) C4'-P energy: -24.424
bonds (distance) P-C4' energy: -23.122
flat angles C4'-P-C4' energy: -25.879
flat angles P-C4'-P energy: -14.284
tors. eta vs tors. theta energy: -26.173
Dist. restrs. and SS energy: 1.263 (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: 9
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -356.216417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.216417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.870972 (E_RNA)
where:
Base-Base interactions energy: -249.572
where: short stacking energy: -105.395
Base-Backbone interact. energy: -0.218
local terms energy: -108.080793
where:
bonds (distance) C4'-P energy: -24.469
bonds (distance) P-C4' energy: -22.150
flat angles C4'-P-C4' energy: -20.735
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -29.481
Dist. restrs. and SS energy: 1.655 (S_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: 241
Temperature: 1.000000
Total energy: -337.962596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.962596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.542754 (E_RNA)
where:
Base-Base interactions energy: -225.279
where: short stacking energy: -94.886
Base-Backbone interact. energy: -1.193
local terms energy: -112.071539
where:
bonds (distance) C4'-P energy: -22.863
bonds (distance) P-C4' energy: -24.710
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -20.897
tors. eta vs tors. theta energy: -28.419
Dist. restrs. and SS energy: 0.580 (S_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: 241
Temperature: 1.050000
Total energy: -338.507316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.507316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.616660 (E_RNA)
where:
Base-Base interactions energy: -235.147
where: short stacking energy: -95.917
Base-Backbone interact. energy: 0.040
local terms energy: -104.509235
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -26.206
flat angles C4'-P-C4' energy: -18.882
flat angles P-C4'-P energy: -15.278
tors. eta vs tors. theta energy: -28.077
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: 5, replica: 7
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -304.247458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.247458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.519124 (E_RNA)
where:
Base-Base interactions energy: -210.277
where: short stacking energy: -88.994
Base-Backbone interact. energy: -0.232
local terms energy: -94.010286
where:
bonds (distance) C4'-P energy: -20.179
bonds (distance) P-C4' energy: -19.150
flat angles C4'-P-C4' energy: -20.405
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -22.007
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: 6, replica: 5
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -276.877521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.877521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.939198 (E_RNA)
where:
Base-Base interactions energy: -182.286
where: short stacking energy: -79.409
Base-Backbone interact. energy: 0.303
local terms energy: -94.956246
where:
bonds (distance) C4'-P energy: -19.503
bonds (distance) P-C4' energy: -16.885
flat angles C4'-P-C4' energy: -25.272
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -20.603
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: 7, replica: 2
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -292.913892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.913892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.734790 (E_RNA)
where:
Base-Base interactions energy: -205.672
where: short stacking energy: -70.705
Base-Backbone interact. energy: 0.200
local terms energy: -90.263410
where:
bonds (distance) C4'-P energy: -22.420
bonds (distance) P-C4' energy: -23.493
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -14.500
Dist. restrs. and SS energy: 2.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -265.531821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.531821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.672656 (E_RNA)
where:
Base-Base interactions energy: -168.743
where: short stacking energy: -76.468
Base-Backbone interact. energy: -0.303
local terms energy: -99.626469
where:
bonds (distance) C4'-P energy: -21.478
bonds (distance) P-C4' energy: -23.707
flat angles C4'-P-C4' energy: -18.916
flat angles P-C4'-P energy: -15.433
tors. eta vs tors. theta energy: -20.093
Dist. restrs. and SS energy: 3.141 (S_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: 241
Temperature: 1.300000
Total energy: -231.810911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.810911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.730616 (E_RNA)
where:
Base-Base interactions energy: -164.113
where: short stacking energy: -75.002
Base-Backbone interact. energy: -0.383
local terms energy: -73.234853
where:
bonds (distance) C4'-P energy: -20.016
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -19.145
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: -10.600
Dist. restrs. and SS energy: 5.920 (S_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: 241
Temperature: 1.350000
Total energy: -196.276453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.276453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.874169 (E_RNA)
where:
Base-Base interactions energy: -120.114
where: short stacking energy: -53.953
Base-Backbone interact. energy: -0.479
local terms energy: -83.281638
where:
bonds (distance) C4'-P energy: -20.880
bonds (distance) P-C4' energy: -17.795
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -16.480
tors. eta vs tors. theta energy: -10.888
Dist. restrs. and SS energy: 7.598 (S_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: 242
Temperature: 0.900000
Total energy: -366.325435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.325435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.792956 (E_RNA)
where:
Base-Base interactions energy: -250.115
where: short stacking energy: -101.762
Base-Backbone interact. energy: -0.576
local terms energy: -117.101783
where:
bonds (distance) C4'-P energy: -22.542
bonds (distance) P-C4' energy: -24.047
flat angles C4'-P-C4' energy: -23.988
flat angles P-C4'-P energy: -16.837
tors. eta vs tors. theta energy: -29.688
Dist. restrs. and SS energy: 1.468 (S_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: 242
Temperature: 0.950000
Total energy: -357.624743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.624743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.179832 (E_RNA)
where:
Base-Base interactions energy: -255.265
where: short stacking energy: -107.532
Base-Backbone interact. energy: 2.505
local terms energy: -106.419965
where:
bonds (distance) C4'-P energy: -24.388
bonds (distance) P-C4' energy: -19.347
flat angles C4'-P-C4' energy: -19.517
flat angles P-C4'-P energy: -14.336
tors. eta vs tors. theta energy: -28.832
Dist. restrs. and SS energy: 1.555 (S_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: 242
Temperature: 1.000000
Total energy: -354.764970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.764970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.804839 (E_RNA)
where:
Base-Base interactions energy: -252.865
where: short stacking energy: -100.575
Base-Backbone interact. energy: -2.969
local terms energy: -99.970873
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -20.914
flat angles C4'-P-C4' energy: -21.533
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -28.746
Dist. restrs. and SS energy: 1.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -330.468505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.468505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.632935 (E_RNA)
where:
Base-Base interactions energy: -223.650
where: short stacking energy: -94.902
Base-Backbone interact. energy: -0.811
local terms energy: -108.171204
where:
bonds (distance) C4'-P energy: -21.846
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -23.036
flat angles P-C4'-P energy: -17.227
tors. eta vs tors. theta energy: -27.902
Dist. restrs. and SS energy: 2.164 (S_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: 242
Temperature: 1.100000
Total energy: -313.883637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.883637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.997691 (E_RNA)
where:
Base-Base interactions energy: -218.592
where: short stacking energy: -98.706
Base-Backbone interact. energy: -0.341
local terms energy: -97.064780
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -20.572
flat angles C4'-P-C4' energy: -24.028
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -23.168
Dist. restrs. and SS energy: 2.114 (S_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: 242
Temperature: 1.150000
Total energy: -255.689412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.689412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.503563 (E_RNA)
where:
Base-Base interactions energy: -166.040
where: short stacking energy: -64.095
Base-Backbone interact. energy: -0.621
local terms energy: -89.843303
where:
bonds (distance) C4'-P energy: -18.343
bonds (distance) P-C4' energy: -23.496
flat angles C4'-P-C4' energy: -19.210
flat angles P-C4'-P energy: -15.677
tors. eta vs tors. theta energy: -13.117
Dist. restrs. and SS energy: 0.814 (S_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: 242
Temperature: 1.200000
Total energy: -273.495701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.495701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.377127 (E_RNA)
where:
Base-Base interactions energy: -181.063
where: short stacking energy: -76.867
Base-Backbone interact. energy: -0.802
local terms energy: -96.511868
where:
bonds (distance) C4'-P energy: -20.049
bonds (distance) P-C4' energy: -27.157
flat angles C4'-P-C4' energy: -24.378
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -12.822
Dist. restrs. and SS energy: 4.881 (S_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: 242
Temperature: 1.250000
Total energy: -270.253687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.253687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.135929 (E_RNA)
where:
Base-Base interactions energy: -187.863
where: short stacking energy: -73.195
Base-Backbone interact. energy: -0.326
local terms energy: -86.946342
where:
bonds (distance) C4'-P energy: -21.965
bonds (distance) P-C4' energy: -22.468
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -15.367
Dist. restrs. and SS energy: 4.882 (S_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: 242
Temperature: 1.300000
Total energy: -235.435790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.435790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.261456 (E_RNA)
where:
Base-Base interactions energy: -152.616
where: short stacking energy: -60.083
Base-Backbone interact. energy: -0.128
local terms energy: -83.517614
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -20.083
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: 10, replica: 1
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -207.087133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.087133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.658343 (E_RNA)
where:
Base-Base interactions energy: -124.028
where: short stacking energy: -48.791
Base-Backbone interact. energy: -0.525
local terms energy: -83.105603
where:
bonds (distance) C4'-P energy: -20.007
bonds (distance) P-C4' energy: -19.458
flat angles C4'-P-C4' energy: -20.589
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -10.508
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: 1, replica: 9
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -372.964331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.964331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.577932 (E_RNA)
where:
Base-Base interactions energy: -256.192
where: short stacking energy: -97.852
Base-Backbone interact. energy: -0.981
local terms energy: -117.404729
where:
bonds (distance) C4'-P energy: -23.424
bonds (distance) P-C4' energy: -22.047
flat angles C4'-P-C4' energy: -23.093
flat angles P-C4'-P energy: -16.139
tors. eta vs tors. theta energy: -32.702
Dist. restrs. and SS energy: 1.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -360.565027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.565027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.160294 (E_RNA)
where:
Base-Base interactions energy: -247.455
where: short stacking energy: -93.969
Base-Backbone interact. energy: -0.506
local terms energy: -114.198925
where:
bonds (distance) C4'-P energy: -21.751
bonds (distance) P-C4' energy: -24.500
flat angles C4'-P-C4' energy: -26.175
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -29.584
Dist. restrs. and SS energy: 1.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -349.715367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.715367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.953394 (E_RNA)
where:
Base-Base interactions energy: -240.172
where: short stacking energy: -102.522
Base-Backbone interact. energy: -0.727
local terms energy: -110.054545
where:
bonds (distance) C4'-P energy: -19.388
bonds (distance) P-C4' energy: -22.107
flat angles C4'-P-C4' energy: -21.913
flat angles P-C4'-P energy: -16.901
tors. eta vs tors. theta energy: -29.746
Dist. restrs. and SS energy: 1.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -307.794063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.794063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.691876 (E_RNA)
where:
Base-Base interactions energy: -206.430
where: short stacking energy: -93.068
Base-Backbone interact. energy: -0.743
local terms energy: -101.518356
where:
bonds (distance) C4'-P energy: -23.517
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -25.331
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -26.676
Dist. restrs. and SS energy: 0.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -334.837503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.837503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.855766 (E_RNA)
where:
Base-Base interactions energy: -229.146
where: short stacking energy: -91.449
Base-Backbone interact. energy: -0.222
local terms energy: -106.487647
where:
bonds (distance) C4'-P energy: -22.249
bonds (distance) P-C4' energy: -22.635
flat angles C4'-P-C4' energy: -18.373
flat angles P-C4'-P energy: -17.817
tors. eta vs tors. theta energy: -25.414
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: 6, replica: 2
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -296.539382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.539382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.851630 (E_RNA)
where:
Base-Base interactions energy: -210.162
where: short stacking energy: -83.468
Base-Backbone interact. energy: 0.491
local terms energy: -87.180175
where:
bonds (distance) C4'-P energy: -17.634
bonds (distance) P-C4' energy: -23.355
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -15.083
tors. eta vs tors. theta energy: -16.073
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: 5
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -271.879247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.879247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.929087 (E_RNA)
where:
Base-Base interactions energy: -189.574
where: short stacking energy: -65.677
Base-Backbone interact. energy: -0.305
local terms energy: -83.049601
where:
bonds (distance) C4'-P energy: -20.505
bonds (distance) P-C4' energy: -19.816
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -11.022
Dist. restrs. and SS energy: 1.050 (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: 6
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -247.405626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.405626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.982902 (E_RNA)
where:
Base-Base interactions energy: -161.916
where: short stacking energy: -66.978
Base-Backbone interact. energy: 1.261
local terms energy: -87.328449
where:
bonds (distance) C4'-P energy: -21.402
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -24.150
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -14.723
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: 9, replica: 3
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -248.970686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.970686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.994924 (E_RNA)
where:
Base-Base interactions energy: -162.524
where: short stacking energy: -65.728
Base-Backbone interact. energy: -1.304
local terms energy: -91.166518
where:
bonds (distance) C4'-P energy: -22.852
bonds (distance) P-C4' energy: -25.108
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -14.923
Dist. restrs. and SS energy: 6.024 (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: 243
Temperature: 1.350000
Total energy: -214.832951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.832951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.143684 (E_RNA)
where:
Base-Base interactions energy: -144.297
where: short stacking energy: -54.831
Base-Backbone interact. energy: -2.155
local terms energy: -70.691833
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -19.695
flat angles C4'-P-C4' energy: -18.616
flat angles P-C4'-P energy: -16.706
tors. eta vs tors. theta energy: 1.343
Dist. restrs. and SS energy: 2.311 (S_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: 244
Temperature: 0.900000
Total energy: -369.131047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.131047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.674349 (E_RNA)
where:
Base-Base interactions energy: -254.576
where: short stacking energy: -89.483
Base-Backbone interact. energy: -0.650
local terms energy: -115.448063
where:
bonds (distance) C4'-P energy: -21.713
bonds (distance) P-C4' energy: -19.951
flat angles C4'-P-C4' energy: -25.829
flat angles P-C4'-P energy: -18.092
tors. eta vs tors. theta energy: -29.863
Dist. restrs. and SS energy: 1.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -359.795735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.795735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.717803 (E_RNA)
where:
Base-Base interactions energy: -253.952
where: short stacking energy: -100.930
Base-Backbone interact. energy: 2.702
local terms energy: -110.467756
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -22.980
flat angles C4'-P-C4' energy: -24.384
flat angles P-C4'-P energy: -15.550
tors. eta vs tors. theta energy: -30.776
Dist. restrs. and SS energy: 1.922 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -347.900463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.900463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.755989 (E_RNA)
where:
Base-Base interactions energy: -247.193
where: short stacking energy: -90.759
Base-Backbone interact. energy: -0.485
local terms energy: -102.077843
where:
bonds (distance) C4'-P energy: -20.826
bonds (distance) P-C4' energy: -22.242
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -19.246
tors. eta vs tors. theta energy: -23.972
Dist. restrs. and SS energy: 1.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -322.976551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.976551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.659021 (E_RNA)
where:
Base-Base interactions energy: -221.699
where: short stacking energy: -90.438
Base-Backbone interact. energy: -0.178
local terms energy: -101.782020
where:
bonds (distance) C4'-P energy: -21.771
bonds (distance) P-C4' energy: -23.691
flat angles C4'-P-C4' energy: -23.580
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -20.381
Dist. restrs. and SS energy: 0.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -313.323961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.323961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.402427 (E_RNA)
where:
Base-Base interactions energy: -218.177
where: short stacking energy: -84.768
Base-Backbone interact. energy: -1.174
local terms energy: -94.051369
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -18.984
flat angles C4'-P-C4' energy: -21.974
flat angles P-C4'-P energy: -15.174
tors. eta vs tors. theta energy: -21.464
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: 6, replica: 10
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -323.152007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.152007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.683980 (E_RNA)
where:
Base-Base interactions energy: -216.574
where: short stacking energy: -91.104
Base-Backbone interact. energy: -1.139
local terms energy: -105.970822
where:
bonds (distance) C4'-P energy: -22.504
bonds (distance) P-C4' energy: -22.885
flat angles C4'-P-C4' energy: -21.509
flat angles P-C4'-P energy: -15.589
tors. eta vs tors. theta energy: -23.484
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: 7, replica: 6
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -263.409430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.409430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.088409 (E_RNA)
where:
Base-Base interactions energy: -180.782
where: short stacking energy: -85.442
Base-Backbone interact. energy: -0.055
local terms energy: -91.251381
where:
bonds (distance) C4'-P energy: -17.524
bonds (distance) P-C4' energy: -19.155
flat angles C4'-P-C4' energy: -23.350
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -19.235
Dist. restrs. and SS energy: 8.679 (S_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: 244
Temperature: 1.250000
Total energy: -234.503933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.503933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.610646 (E_RNA)
where:
Base-Base interactions energy: -164.676
where: short stacking energy: -57.086
Base-Backbone interact. energy: 1.942
local terms energy: -71.876683
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -18.296
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -10.519
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: 9, replica: 3
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -231.977464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.977464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.526829 (E_RNA)
where:
Base-Base interactions energy: -157.972
where: short stacking energy: -64.798
Base-Backbone interact. energy: -0.459
local terms energy: -78.095468
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -18.261
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -15.953
Dist. restrs. and SS energy: 4.549 (S_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: 244
Temperature: 1.350000
Total energy: -210.484508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.484508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.297323 (E_RNA)
where:
Base-Base interactions energy: -145.411
where: short stacking energy: -43.341
Base-Backbone interact. energy: -0.839
local terms energy: -65.047270
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -22.901
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -2.678
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: 1, replica: 9
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -371.762179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.762179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.888348 (E_RNA)
where:
Base-Base interactions energy: -260.572
where: short stacking energy: -105.687
Base-Backbone interact. energy: -0.586
local terms energy: -111.730676
where:
bonds (distance) C4'-P energy: -21.878
bonds (distance) P-C4' energy: -21.267
flat angles C4'-P-C4' energy: -24.415
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: -30.178
Dist. restrs. and SS energy: 1.126 (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: 8
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -355.868562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.868562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.780150 (E_RNA)
where:
Base-Base interactions energy: -247.211
where: short stacking energy: -96.875
Base-Backbone interact. energy: -0.935
local terms energy: -109.634115
where:
bonds (distance) C4'-P energy: -21.130
bonds (distance) P-C4' energy: -16.077
flat angles C4'-P-C4' energy: -25.771
flat angles P-C4'-P energy: -18.211
tors. eta vs tors. theta energy: -28.445
Dist. restrs. and SS energy: 1.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -359.940557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.940557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.149566 (E_RNA)
where:
Base-Base interactions energy: -246.908
where: short stacking energy: -93.375
Base-Backbone interact. energy: 0.229
local terms energy: -114.470855
where:
bonds (distance) C4'-P energy: -21.620
bonds (distance) P-C4' energy: -20.321
flat angles C4'-P-C4' energy: -26.056
flat angles P-C4'-P energy: -17.345
tors. eta vs tors. theta energy: -29.130
Dist. restrs. and SS energy: 1.209 (S_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: -319.553871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.553871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.396946 (E_RNA)
where:
Base-Base interactions energy: -219.369
where: short stacking energy: -81.890
Base-Backbone interact. energy: 0.440
local terms energy: -101.467956
where:
bonds (distance) C4'-P energy: -21.498
bonds (distance) P-C4' energy: -23.459
flat angles C4'-P-C4' energy: -19.978
flat angles P-C4'-P energy: -15.688
tors. eta vs tors. theta energy: -20.845
Dist. restrs. and SS energy: 0.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -323.426434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.426434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.058541 (E_RNA)
where:
Base-Base interactions energy: -212.621
where: short stacking energy: -93.383
Base-Backbone interact. energy: -1.951
local terms energy: -110.487081
where:
bonds (distance) C4'-P energy: -22.546
bonds (distance) P-C4' energy: -22.497
flat angles C4'-P-C4' energy: -21.856
flat angles P-C4'-P energy: -16.199
tors. eta vs tors. theta energy: -27.389
Dist. restrs. and SS energy: 1.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -297.688662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.688662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.159829 (E_RNA)
where:
Base-Base interactions energy: -207.919
where: short stacking energy: -87.113
Base-Backbone interact. energy: 1.743
local terms energy: -92.982968
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -22.676
flat angles C4'-P-C4' energy: -21.495
flat angles P-C4'-P energy: -17.439
tors. eta vs tors. theta energy: -18.578
Dist. restrs. and SS energy: 1.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -300.254597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.254597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.359169 (E_RNA)
where:
Base-Base interactions energy: -200.743
where: short stacking energy: -73.432
Base-Backbone interact. energy: -0.584
local terms energy: -99.032205
where:
bonds (distance) C4'-P energy: -18.334
bonds (distance) P-C4' energy: -21.046
flat angles C4'-P-C4' energy: -22.121
flat angles P-C4'-P energy: -18.307
tors. eta vs tors. theta energy: -19.224
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: 8, replica: 3
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -263.671764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.671764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.814596 (E_RNA)
where:
Base-Base interactions energy: -166.606
where: short stacking energy: -60.033
Base-Backbone interact. energy: -0.435
local terms energy: -98.774104
where:
bonds (distance) C4'-P energy: -23.712
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -20.800
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -19.786
Dist. restrs. and SS energy: 2.143 (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: 5
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -208.079379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.079379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.374950 (E_RNA)
where:
Base-Base interactions energy: -140.766
where: short stacking energy: -63.259
Base-Backbone interact. energy: -0.450
local terms energy: -73.159506
where:
bonds (distance) C4'-P energy: -18.590
bonds (distance) P-C4' energy: -24.315
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: -9.140
Dist. restrs. and SS energy: 6.296 (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: 1
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -200.402813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.402813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.677971 (E_RNA)
where:
Base-Base interactions energy: -140.816
where: short stacking energy: -58.229
Base-Backbone interact. energy: 1.750
local terms energy: -63.612421
where:
bonds (distance) C4'-P energy: -17.052
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: -8.795
Dist. restrs. and SS energy: 2.275 (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: 8
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -377.328616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.328616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.749684 (E_RNA)
where:
Base-Base interactions energy: -260.635
where: short stacking energy: -111.097
Base-Backbone interact. energy: 0.526
local terms energy: -118.640521
where:
bonds (distance) C4'-P energy: -18.360
bonds (distance) P-C4' energy: -24.446
flat angles C4'-P-C4' energy: -26.632
flat angles P-C4'-P energy: -16.975
tors. eta vs tors. theta energy: -32.228
Dist. restrs. and SS energy: 1.421 (S_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: 246
Temperature: 0.950000
Total energy: -361.927342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.927342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.415210 (E_RNA)
where:
Base-Base interactions energy: -246.935
where: short stacking energy: -96.909
Base-Backbone interact. energy: -0.115
local terms energy: -115.364793
where:
bonds (distance) C4'-P energy: -24.810
bonds (distance) P-C4' energy: -22.940
flat angles C4'-P-C4' energy: -21.658
flat angles P-C4'-P energy: -16.509
tors. eta vs tors. theta energy: -29.447
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: 3, replica: 4
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -352.988343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.988343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.752163 (E_RNA)
where:
Base-Base interactions energy: -247.798
where: short stacking energy: -105.359
Base-Backbone interact. energy: -0.701
local terms energy: -105.252512
where:
bonds (distance) C4'-P energy: -20.723
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -23.639
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -29.005
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: 4, replica: 7
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -324.405385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.405385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.442095 (E_RNA)
where:
Base-Base interactions energy: -225.619
where: short stacking energy: -80.802
Base-Backbone interact. energy: -0.043
local terms energy: -98.780857
where:
bonds (distance) C4'-P energy: -24.988
bonds (distance) P-C4' energy: -20.584
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -26.277
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: 2
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -313.589263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.589263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.266878 (E_RNA)
where:
Base-Base interactions energy: -211.156
where: short stacking energy: -93.140
Base-Backbone interact. energy: -0.415
local terms energy: -102.695647
where:
bonds (distance) C4'-P energy: -17.971
bonds (distance) P-C4' energy: -20.202
flat angles C4'-P-C4' energy: -25.345
flat angles P-C4'-P energy: -17.070
tors. eta vs tors. theta energy: -22.107
Dist. restrs. and SS energy: 0.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -276.543414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.543414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.447065 (E_RNA)
where:
Base-Base interactions energy: -174.173
where: short stacking energy: -78.261
Base-Backbone interact. energy: -0.996
local terms energy: -106.277871
where:
bonds (distance) C4'-P energy: -24.789
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -20.837
flat angles P-C4'-P energy: -17.500
tors. eta vs tors. theta energy: -25.113
Dist. restrs. and SS energy: 4.904 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -255.785369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.785369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.935525 (E_RNA)
where:
Base-Base interactions energy: -167.716
where: short stacking energy: -60.606
Base-Backbone interact. energy: 0.713
local terms energy: -88.932518
where:
bonds (distance) C4'-P energy: -20.583
bonds (distance) P-C4' energy: -24.059
flat angles C4'-P-C4' energy: -22.535
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -15.132
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: 8, replica: 3
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -255.250943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.250943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.831782 (E_RNA)
where:
Base-Base interactions energy: -164.689
where: short stacking energy: -68.301
Base-Backbone interact. energy: 0.533
local terms energy: -93.676199
where:
bonds (distance) C4'-P energy: -21.457
bonds (distance) P-C4' energy: -20.409
flat angles C4'-P-C4' energy: -19.154
flat angles P-C4'-P energy: -16.953
tors. eta vs tors. theta energy: -15.703
Dist. restrs. and SS energy: 2.581 (S_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: 246
Temperature: 1.300000
Total energy: -207.339368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.339368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.615825 (E_RNA)
where:
Base-Base interactions energy: -125.650
where: short stacking energy: -47.933
Base-Backbone interact. energy: -1.384
local terms energy: -80.581112
where:
bonds (distance) C4'-P energy: -18.421
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -21.933
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -6.970
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: 10, replica: 5
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -205.035972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.035972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.490972 (E_RNA)
where:
Base-Base interactions energy: -145.767
where: short stacking energy: -49.401
Base-Backbone interact. energy: -0.329
local terms energy: -59.394769
where:
bonds (distance) C4'-P energy: -9.530
bonds (distance) P-C4' energy: -19.380
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -7.835
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: 1, replica: 8
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -369.914946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.914946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.303977 (E_RNA)
where:
Base-Base interactions energy: -254.780
where: short stacking energy: -105.318
Base-Backbone interact. energy: -0.885
local terms energy: -115.638323
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -22.843
flat angles C4'-P-C4' energy: -23.037
flat angles P-C4'-P energy: -18.727
tors. eta vs tors. theta energy: -30.374
Dist. restrs. and SS energy: 1.389 (S_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: 247
Temperature: 0.950000
Total energy: -355.448170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.448170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.239334 (E_RNA)
where:
Base-Base interactions energy: -248.809
where: short stacking energy: -95.070
Base-Backbone interact. energy: -0.515
local terms energy: -107.915725
where:
bonds (distance) C4'-P energy: -24.732
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -25.351
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -29.328
Dist. restrs. and SS energy: 1.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -358.807627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.807627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.750381 (E_RNA)
where:
Base-Base interactions energy: -242.156
where: short stacking energy: -104.311
Base-Backbone interact. energy: -1.578
local terms energy: -116.016220
where:
bonds (distance) C4'-P energy: -23.716
bonds (distance) P-C4' energy: -26.908
flat angles C4'-P-C4' energy: -22.632
flat angles P-C4'-P energy: -13.749
tors. eta vs tors. theta energy: -29.012
Dist. restrs. and SS energy: 0.943 (S_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: 247
Temperature: 1.050000
Total energy: -321.998170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.998170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.499541 (E_RNA)
where:
Base-Base interactions energy: -217.497
where: short stacking energy: -80.539
Base-Backbone interact. energy: -2.090
local terms energy: -102.912481
where:
bonds (distance) C4'-P energy: -20.359
bonds (distance) P-C4' energy: -25.868
flat angles C4'-P-C4' energy: -19.526
flat angles P-C4'-P energy: -18.959
tors. eta vs tors. theta energy: -18.201
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: 5, replica: 2
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -282.683703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.683703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.039374 (E_RNA)
where:
Base-Base interactions energy: -191.141
where: short stacking energy: -77.382
Base-Backbone interact. energy: -0.941
local terms energy: -91.957025
where:
bonds (distance) C4'-P energy: -21.088
bonds (distance) P-C4' energy: -25.784
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -15.532
tors. eta vs tors. theta energy: -14.598
Dist. restrs. and SS energy: 1.356 (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: 6
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -262.292677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.292677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.224088 (E_RNA)
where:
Base-Base interactions energy: -177.793
where: short stacking energy: -80.650
Base-Backbone interact. energy: 1.473
local terms energy: -90.904110
where:
bonds (distance) C4'-P energy: -20.316
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -19.020
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -22.732
Dist. restrs. and SS energy: 4.931 (S_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: 247
Temperature: 1.200000
Total energy: -246.794334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.794334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.384789 (E_RNA)
where:
Base-Base interactions energy: -157.859
where: short stacking energy: -66.893
Base-Backbone interact. energy: -0.366
local terms energy: -92.159772
where:
bonds (distance) C4'-P energy: -19.154
bonds (distance) P-C4' energy: -19.790
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -15.912
tors. eta vs tors. theta energy: -20.751
Dist. restrs. and SS energy: 3.590 (S_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: 247
Temperature: 1.250000
Total energy: -234.503395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.503395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.367023 (E_RNA)
where:
Base-Base interactions energy: -159.840
where: short stacking energy: -62.687
Base-Backbone interact. energy: -0.824
local terms energy: -75.703736
where:
bonds (distance) C4'-P energy: -17.046
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -18.196
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -13.566
Dist. restrs. and SS energy: 1.864 (S_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: 247
Temperature: 1.300000
Total energy: -232.347075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.347075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.870179 (E_RNA)
where:
Base-Base interactions energy: -155.156
where: short stacking energy: -57.443
Base-Backbone interact. energy: -2.304
local terms energy: -75.410303
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -25.388
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -9.358
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: 10, replica: 5
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -220.308262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.308262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.793854 (E_RNA)
where:
Base-Base interactions energy: -154.520
where: short stacking energy: -59.205
Base-Backbone interact. energy: 0.011
local terms energy: -66.285508
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -8.956
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: 1, replica: 9
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -363.550236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.550236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.720437 (E_RNA)
where:
Base-Base interactions energy: -250.963
where: short stacking energy: -100.641
Base-Backbone interact. energy: -0.326
local terms energy: -113.431711
where:
bonds (distance) C4'-P energy: -25.356
bonds (distance) P-C4' energy: -22.564
flat angles C4'-P-C4' energy: -19.984
flat angles P-C4'-P energy: -13.905
tors. eta vs tors. theta energy: -31.622
Dist. restrs. and SS energy: 1.170 (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: 8
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -356.447658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.447658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.873323 (E_RNA)
where:
Base-Base interactions energy: -249.957
where: short stacking energy: -92.903
Base-Backbone interact. energy: -1.052
local terms energy: -106.865039
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -23.755
flat angles C4'-P-C4' energy: -21.688
flat angles P-C4'-P energy: -17.704
tors. eta vs tors. theta energy: -26.543
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: 3, replica: 4
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -362.618776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.618776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.476042 (E_RNA)
where:
Base-Base interactions energy: -254.681
where: short stacking energy: -95.698
Base-Backbone interact. energy: -0.397
local terms energy: -108.398382
where:
bonds (distance) C4'-P energy: -24.073
bonds (distance) P-C4' energy: -22.114
flat angles C4'-P-C4' energy: -20.489
flat angles P-C4'-P energy: -14.643
tors. eta vs tors. theta energy: -27.079
Dist. restrs. and SS energy: 0.857 (S_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: 248
Temperature: 1.050000
Total energy: -321.855786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.855786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.687282 (E_RNA)
where:
Base-Base interactions energy: -212.190
where: short stacking energy: -82.770
Base-Backbone interact. energy: -0.907
local terms energy: -109.590447
where:
bonds (distance) C4'-P energy: -26.855
bonds (distance) P-C4' energy: -20.781
flat angles C4'-P-C4' energy: -23.085
flat angles P-C4'-P energy: -16.016
tors. eta vs tors. theta energy: -22.854
Dist. restrs. and SS energy: 0.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -288.495888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.495888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.299616 (E_RNA)
where:
Base-Base interactions energy: -199.156
where: short stacking energy: -79.100
Base-Backbone interact. energy: -0.435
local terms energy: -90.708720
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -24.716
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -15.225
tors. eta vs tors. theta energy: -21.653
Dist. restrs. and SS energy: 1.804 (S_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: 248
Temperature: 1.150000
Total energy: -283.484892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.484892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.917033 (E_RNA)
where:
Base-Base interactions energy: -189.703
where: short stacking energy: -71.342
Base-Backbone interact. energy: 0.255
local terms energy: -95.468781
where:
bonds (distance) C4'-P energy: -23.092
bonds (distance) P-C4' energy: -20.640
flat angles C4'-P-C4' energy: -21.743
flat angles P-C4'-P energy: -19.007
tors. eta vs tors. theta energy: -10.986
Dist. restrs. and SS energy: 1.432 (S_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: 248
Temperature: 1.200000
Total energy: -244.871920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.871920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.272617 (E_RNA)
where:
Base-Base interactions energy: -158.175
where: short stacking energy: -73.339
Base-Backbone interact. energy: -1.315
local terms energy: -88.782167
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -21.189
flat angles C4'-P-C4' energy: -18.408
flat angles P-C4'-P energy: -16.282
tors. eta vs tors. theta energy: -17.255
Dist. restrs. and SS energy: 3.401 (S_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: 248
Temperature: 1.250000
Total energy: -243.876110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.876110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.300425 (E_RNA)
where:
Base-Base interactions energy: -160.479
where: short stacking energy: -74.160
Base-Backbone interact. energy: -1.120
local terms energy: -88.700878
where:
bonds (distance) C4'-P energy: -19.689
bonds (distance) P-C4' energy: -17.665
flat angles C4'-P-C4' energy: -18.099
flat angles P-C4'-P energy: -14.413
tors. eta vs tors. theta energy: -18.834
Dist. restrs. and SS energy: 6.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -234.382457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.382457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.403296 (E_RNA)
where:
Base-Base interactions energy: -162.895
where: short stacking energy: -72.356
Base-Backbone interact. energy: 2.590
local terms energy: -83.097900
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -20.919
flat angles C4'-P-C4' energy: -19.151
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -17.037
Dist. restrs. and SS energy: 9.021 (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: 1
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -288.631055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.631055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.576800 (E_RNA)
where:
Base-Base interactions energy: -214.158
where: short stacking energy: -80.795
Base-Backbone interact. energy: -0.614
local terms energy: -74.805370
where:
bonds (distance) C4'-P energy: -19.030
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -9.276
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -23.399
Dist. restrs. and SS energy: 0.946 (S_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: 249
Temperature: 0.900000
Total energy: -382.753792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.753792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.373274 (E_RNA)
where:
Base-Base interactions energy: -273.370
where: short stacking energy: -96.958
Base-Backbone interact. energy: -1.192
local terms energy: -109.810795
where:
bonds (distance) C4'-P energy: -19.043
bonds (distance) P-C4' energy: -23.127
flat angles C4'-P-C4' energy: -20.888
flat angles P-C4'-P energy: -17.226
tors. eta vs tors. theta energy: -29.527
Dist. restrs. and SS energy: 1.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -354.236180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.236180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.571033 (E_RNA)
where:
Base-Base interactions energy: -245.524
where: short stacking energy: -97.563
Base-Backbone interact. energy: -2.410
local terms energy: -107.637214
where:
bonds (distance) C4'-P energy: -20.102
bonds (distance) P-C4' energy: -17.669
flat angles C4'-P-C4' energy: -21.935
flat angles P-C4'-P energy: -20.460
tors. eta vs tors. theta energy: -27.471
Dist. restrs. and SS energy: 1.335 (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: 8
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -353.092432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.092432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.862876 (E_RNA)
where:
Base-Base interactions energy: -249.835
where: short stacking energy: -91.505
Base-Backbone interact. energy: -0.399
local terms energy: -104.629662
where:
bonds (distance) C4'-P energy: -22.355
bonds (distance) P-C4' energy: -17.775
flat angles C4'-P-C4' energy: -25.742
flat angles P-C4'-P energy: -15.157
tors. eta vs tors. theta energy: -23.600
Dist. restrs. and SS energy: 1.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -324.449551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.449551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.629157 (E_RNA)
where:
Base-Base interactions energy: -225.997
where: short stacking energy: -85.421
Base-Backbone interact. energy: -0.567
local terms energy: -99.065451
where:
bonds (distance) C4'-P energy: -21.290
bonds (distance) P-C4' energy: -18.782
flat angles C4'-P-C4' energy: -22.313
flat angles P-C4'-P energy: -15.836
tors. eta vs tors. theta energy: -20.843
Dist. restrs. and SS energy: 1.180 (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: 7
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -303.160302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.160302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.622303 (E_RNA)
where:
Base-Base interactions energy: -218.260
where: short stacking energy: -80.284
Base-Backbone interact. energy: 0.626
local terms energy: -85.988681
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -19.624
flat angles P-C4'-P energy: -15.681
tors. eta vs tors. theta energy: -20.587
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: 6, replica: 3
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -262.880733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.880733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.569892 (E_RNA)
where:
Base-Base interactions energy: -174.051
where: short stacking energy: -70.151
Base-Backbone interact. energy: -0.353
local terms energy: -89.165854
where:
bonds (distance) C4'-P energy: -21.916
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -24.212
flat angles P-C4'-P energy: -16.187
tors. eta vs tors. theta energy: -10.782
Dist. restrs. and SS energy: 0.689 (S_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: 249
Temperature: 1.200000
Total energy: -273.414192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.414192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.365117 (E_RNA)
where:
Base-Base interactions energy: -186.047
where: short stacking energy: -76.226
Base-Backbone interact. energy: 0.126
local terms energy: -92.444383
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -22.408
flat angles C4'-P-C4' energy: -21.911
flat angles P-C4'-P energy: -14.515
tors. eta vs tors. theta energy: -16.323
Dist. restrs. and SS energy: 4.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -232.958062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.958062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.744118 (E_RNA)
where:
Base-Base interactions energy: -147.033
where: short stacking energy: -57.484
Base-Backbone interact. energy: -1.176
local terms energy: -87.534625
where:
bonds (distance) C4'-P energy: -20.133
bonds (distance) P-C4' energy: -20.581
flat angles C4'-P-C4' energy: -21.855
flat angles P-C4'-P energy: -16.908
tors. eta vs tors. theta energy: -8.057
Dist. restrs. and SS energy: 2.786 (S_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: 249
Temperature: 1.300000
Total energy: -228.517044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.517044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.293809 (E_RNA)
where:
Base-Base interactions energy: -153.881
where: short stacking energy: -58.349
Base-Backbone interact. energy: -0.139
local terms energy: -79.273803
where:
bonds (distance) C4'-P energy: -22.537
bonds (distance) P-C4' energy: -20.231
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -12.828
Dist. restrs. and SS energy: 4.777 (S_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: 249
Temperature: 1.350000
Total energy: -284.807535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.807535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.193927 (E_RNA)
where:
Base-Base interactions energy: -196.309
where: short stacking energy: -78.257
Base-Backbone interact. energy: -0.998
local terms energy: -90.887024
where:
bonds (distance) C4'-P energy: -21.327
bonds (distance) P-C4' energy: -18.516
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -23.081
Dist. restrs. and SS energy: 3.386 (S_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: 250
Temperature: 0.900000
Total energy: -362.509332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.509332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.823626 (E_RNA)
where:
Base-Base interactions energy: -243.655
where: short stacking energy: -100.395
Base-Backbone interact. energy: 0.775
local terms energy: -120.944105
where:
bonds (distance) C4'-P energy: -23.606
bonds (distance) P-C4' energy: -22.790
flat angles C4'-P-C4' energy: -24.044
flat angles P-C4'-P energy: -20.661
tors. eta vs tors. theta energy: -29.843
Dist. restrs. and SS energy: 1.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -364.438490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.438490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.298936 (E_RNA)
where:
Base-Base interactions energy: -252.092
where: short stacking energy: -98.942
Base-Backbone interact. energy: -0.580
local terms energy: -113.627219
where:
bonds (distance) C4'-P energy: -19.820
bonds (distance) P-C4' energy: -26.304
flat angles C4'-P-C4' energy: -19.062
flat angles P-C4'-P energy: -19.179
tors. eta vs tors. theta energy: -29.262
Dist. restrs. and SS energy: 1.860 (S_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: 250
Temperature: 1.000000
Total energy: -351.466951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.466951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.677507 (E_RNA)
where:
Base-Base interactions energy: -239.521
where: short stacking energy: -94.466
Base-Backbone interact. energy: -0.520
local terms energy: -112.636304
where:
bonds (distance) C4'-P energy: -20.934
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -26.800
flat angles P-C4'-P energy: -16.670
tors. eta vs tors. theta energy: -29.548
Dist. restrs. and SS energy: 1.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -327.779212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.779212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.703338 (E_RNA)
where:
Base-Base interactions energy: -229.089
where: short stacking energy: -100.973
Base-Backbone interact. energy: -0.123
local terms energy: -100.490612
where:
bonds (distance) C4'-P energy: -24.222
bonds (distance) P-C4' energy: -22.476
flat angles C4'-P-C4' energy: -23.291
flat angles P-C4'-P energy: -5.972
tors. eta vs tors. theta energy: -24.530
Dist. restrs. and SS energy: 1.924 (S_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: 250
Temperature: 1.100000
Total energy: -306.070342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.070342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.036883 (E_RNA)
where:
Base-Base interactions energy: -200.839
where: short stacking energy: -84.181
Base-Backbone interact. energy: -0.850
local terms energy: -105.347754
where:
bonds (distance) C4'-P energy: -23.089
bonds (distance) P-C4' energy: -24.127
flat angles C4'-P-C4' energy: -20.816
flat angles P-C4'-P energy: -16.119
tors. eta vs tors. theta energy: -21.196
Dist. restrs. and SS energy: 0.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -272.289831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.289831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.591943 (E_RNA)
where:
Base-Base interactions energy: -184.057
where: short stacking energy: -77.391
Base-Backbone interact. energy: -0.201
local terms energy: -89.333839
where:
bonds (distance) C4'-P energy: -25.233
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -16.238
tors. eta vs tors. theta energy: -18.404
Dist. restrs. and SS energy: 1.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -257.791697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.791697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.296458 (E_RNA)
where:
Base-Base interactions energy: -171.685
where: short stacking energy: -72.053
Base-Backbone interact. energy: 3.495
local terms energy: -95.106543
where:
bonds (distance) C4'-P energy: -24.180
bonds (distance) P-C4' energy: -21.806
flat angles C4'-P-C4' energy: -22.120
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -15.308
Dist. restrs. and SS energy: 5.505 (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: 2
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -223.628286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.628286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.060842 (E_RNA)
where:
Base-Base interactions energy: -140.849
where: short stacking energy: -53.701
Base-Backbone interact. energy: -0.544
local terms energy: -83.667287
where:
bonds (distance) C4'-P energy: -20.748
bonds (distance) P-C4' energy: -24.241
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -16.579
tors. eta vs tors. theta energy: -6.415
Dist. restrs. and SS energy: 1.433 (S_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: 250
Temperature: 1.300000
Total energy: -309.407338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.407338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.501161 (E_RNA)
where:
Base-Base interactions energy: -214.735
where: short stacking energy: -78.866
Base-Backbone interact. energy: 1.045
local terms energy: -96.811018
where:
bonds (distance) C4'-P energy: -18.608
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -19.982
flat angles P-C4'-P energy: -16.875
tors. eta vs tors. theta energy: -24.226
Dist. restrs. and SS energy: 1.094 (S_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: 250
Temperature: 1.350000
Total energy: -258.183074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.183074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.922670 (E_RNA)
where:
Base-Base interactions energy: -179.402
where: short stacking energy: -86.996
Base-Backbone interact. energy: -0.488
local terms energy: -83.032596
where:
bonds (distance) C4'-P energy: -12.084
bonds (distance) P-C4' energy: -22.276
flat angles C4'-P-C4' energy: -24.695
flat angles P-C4'-P energy: -1.449
tors. eta vs tors. theta energy: -22.528
Dist. restrs. and SS energy: 4.740 (S_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: 251
Temperature: 0.900000
Total energy: -381.216801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.216801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.596463 (E_RNA)
where:
Base-Base interactions energy: -265.813
where: short stacking energy: -100.301
Base-Backbone interact. energy: 0.221
local terms energy: -117.004050
where:
bonds (distance) C4'-P energy: -23.830
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -26.789
flat angles P-C4'-P energy: -19.127
tors. eta vs tors. theta energy: -27.668
Dist. restrs. and SS energy: 1.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -356.753931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.753931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.258747 (E_RNA)
where:
Base-Base interactions energy: -254.860
where: short stacking energy: -102.593
Base-Backbone interact. energy: -0.830
local terms energy: -102.569038
where:
bonds (distance) C4'-P energy: -18.688
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -24.985
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -29.966
Dist. restrs. and SS energy: 1.505 (S_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: 251
Temperature: 1.000000
Total energy: -352.508942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.508942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.937813 (E_RNA)
where:
Base-Base interactions energy: -245.423
where: short stacking energy: -87.598
Base-Backbone interact. energy: -0.449
local terms energy: -108.066393
where:
bonds (distance) C4'-P energy: -21.251
bonds (distance) P-C4' energy: -23.135
flat angles C4'-P-C4' energy: -21.786
flat angles P-C4'-P energy: -17.539
tors. eta vs tors. theta energy: -24.356
Dist. restrs. and SS energy: 1.429 (S_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: 251
Temperature: 1.050000
Total energy: -339.538134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.538134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.099655 (E_RNA)
where:
Base-Base interactions energy: -242.795
where: short stacking energy: -84.833
Base-Backbone interact. energy: 1.587
local terms energy: -98.891559
where:
bonds (distance) C4'-P energy: -20.854
bonds (distance) P-C4' energy: -23.746
flat angles C4'-P-C4' energy: -20.039
flat angles P-C4'-P energy: -15.560
tors. eta vs tors. theta energy: -18.693
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: 6
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -309.543254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.543254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.930142 (E_RNA)
where:
Base-Base interactions energy: -213.597
where: short stacking energy: -90.192
Base-Backbone interact. energy: -0.761
local terms energy: -96.572161
where:
bonds (distance) C4'-P energy: -20.591
bonds (distance) P-C4' energy: -15.126
flat angles C4'-P-C4' energy: -22.477
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: -24.793
Dist. restrs. and SS energy: 1.387 (S_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: 251
Temperature: 1.150000
Total energy: -260.850740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.850740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.892080 (E_RNA)
where:
Base-Base interactions energy: -168.456
where: short stacking energy: -79.701
Base-Backbone interact. energy: -0.250
local terms energy: -95.185809
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -22.200
flat angles C4'-P-C4' energy: -22.607
flat angles P-C4'-P energy: -11.739
tors. eta vs tors. theta energy: -21.630
Dist. restrs. and SS energy: 3.041 (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: 3
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -269.499473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.499473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.221719 (E_RNA)
where:
Base-Base interactions energy: -190.235
where: short stacking energy: -77.435
Base-Backbone interact. energy: -1.114
local terms energy: -87.872895
where:
bonds (distance) C4'-P energy: -16.716
bonds (distance) P-C4' energy: -20.553
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -14.930
tors. eta vs tors. theta energy: -17.963
Dist. restrs. and SS energy: 9.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -289.032580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.032580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.150041 (E_RNA)
where:
Base-Base interactions energy: -205.710
where: short stacking energy: -74.859
Base-Backbone interact. energy: 0.296
local terms energy: -83.736073
where:
bonds (distance) C4'-P energy: -19.466
bonds (distance) P-C4' energy: -20.921
flat angles C4'-P-C4' energy: -23.612
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -8.960
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: 2
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -240.654801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.654801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.892710 (E_RNA)
where:
Base-Base interactions energy: -162.082
where: short stacking energy: -60.537
Base-Backbone interact. energy: 2.029
local terms energy: -81.839876
where:
bonds (distance) C4'-P energy: -24.040
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -19.452
flat angles P-C4'-P energy: -13.302
tors. eta vs tors. theta energy: -7.513
Dist. restrs. and SS energy: 1.238 (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: 10
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -242.516936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.516936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.238756 (E_RNA)
where:
Base-Base interactions energy: -157.490
where: short stacking energy: -61.130
Base-Backbone interact. energy: -2.274
local terms energy: -84.474782
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -23.111
flat angles C4'-P-C4' energy: -22.228
flat angles P-C4'-P energy: -14.002
tors. eta vs tors. theta energy: -13.138
Dist. restrs. and SS energy: 1.722 (S_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: 252
Temperature: 0.900000
Total energy: -367.760121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.760121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.941902 (E_RNA)
where:
Base-Base interactions energy: -260.136
where: short stacking energy: -100.527
Base-Backbone interact. energy: -0.008
local terms energy: -108.797908
where:
bonds (distance) C4'-P energy: -20.959
bonds (distance) P-C4' energy: -22.713
flat angles C4'-P-C4' energy: -22.983
flat angles P-C4'-P energy: -17.354
tors. eta vs tors. theta energy: -24.789
Dist. restrs. and SS energy: 1.182 (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: 252
Temperature: 0.950000
Total energy: -354.780176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.780176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.818134 (E_RNA)
where:
Base-Base interactions energy: -249.668
where: short stacking energy: -91.783
Base-Backbone interact. energy: 0.644
local terms energy: -106.793849
where:
bonds (distance) C4'-P energy: -21.259
bonds (distance) P-C4' energy: -21.256
flat angles C4'-P-C4' energy: -21.762
flat angles P-C4'-P energy: -18.350
tors. eta vs tors. theta energy: -24.167
Dist. restrs. and SS energy: 1.038 (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: 252
Temperature: 1.000000
Total energy: -350.017740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.017740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.117496 (E_RNA)
where:
Base-Base interactions energy: -238.116
where: short stacking energy: -89.765
Base-Backbone interact. energy: -1.404
local terms energy: -111.597971
where:
bonds (distance) C4'-P energy: -23.476
bonds (distance) P-C4' energy: -25.754
flat angles C4'-P-C4' energy: -19.484
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -30.413
Dist. restrs. and SS energy: 1.100 (S_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: -339.866379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.866379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.045335 (E_RNA)
where:
Base-Base interactions energy: -232.271
where: short stacking energy: -90.232
Base-Backbone interact. energy: 0.521
local terms energy: -110.295146
where:
bonds (distance) C4'-P energy: -22.478
bonds (distance) P-C4' energy: -26.068
flat angles C4'-P-C4' energy: -24.247
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -25.207
Dist. restrs. and SS energy: 2.179 (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: 252
Temperature: 1.100000
Total energy: -282.254851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.254851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.636953 (E_RNA)
where:
Base-Base interactions energy: -186.824
where: short stacking energy: -87.474
Base-Backbone interact. energy: -0.884
local terms energy: -98.928951
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -25.993
flat angles C4'-P-C4' energy: -21.790
flat angles P-C4'-P energy: -16.513
tors. eta vs tors. theta energy: -16.385
Dist. restrs. and SS energy: 4.382 (S_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: 252
Temperature: 1.150000
Total energy: -253.256112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.256112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.553566 (E_RNA)
where:
Base-Base interactions energy: -174.691
where: short stacking energy: -69.727
Base-Backbone interact. energy: -0.386
local terms energy: -82.476082
where:
bonds (distance) C4'-P energy: -20.691
bonds (distance) P-C4' energy: -20.867
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -12.108
Dist. restrs. and SS energy: 4.297 (S_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: 252
Temperature: 1.200000
Total energy: -281.434161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.434161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.541049 (E_RNA)
where:
Base-Base interactions energy: -190.948
where: short stacking energy: -73.493
Base-Backbone interact. energy: 0.104
local terms energy: -90.696806
where:
bonds (distance) C4'-P energy: -20.280
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -21.200
flat angles P-C4'-P energy: -15.129
tors. eta vs tors. theta energy: -15.742
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: 8, replica: 3
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -262.164683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.164683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.303702 (E_RNA)
where:
Base-Base interactions energy: -175.419
where: short stacking energy: -77.060
Base-Backbone interact. energy: -0.115
local terms energy: -87.769809
where:
bonds (distance) C4'-P energy: -21.643
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -22.070
flat angles P-C4'-P energy: -15.813
tors. eta vs tors. theta energy: -15.234
Dist. restrs. and SS energy: 1.139 (S_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: 252
Temperature: 1.300000
Total energy: -255.787050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.787050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.851918 (E_RNA)
where:
Base-Base interactions energy: -179.028
where: short stacking energy: -71.771
Base-Backbone interact. energy: -0.324
local terms energy: -76.499530
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -19.844
flat angles C4'-P-C4' energy: -21.533
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: -9.760
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: 10, replica: 2
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -252.006659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.006659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.117177 (E_RNA)
where:
Base-Base interactions energy: -176.418
where: short stacking energy: -72.796
Base-Backbone interact. energy: -0.091
local terms energy: -75.608406
where:
bonds (distance) C4'-P energy: -16.592
bonds (distance) P-C4' energy: -12.432
flat angles C4'-P-C4' energy: -9.805
flat angles P-C4'-P energy: -16.069
tors. eta vs tors. theta energy: -20.709
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: 4
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -370.354424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.354424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.045095 (E_RNA)
where:
Base-Base interactions energy: -259.319
where: short stacking energy: -107.931
Base-Backbone interact. energy: -0.396
local terms energy: -111.330204
where:
bonds (distance) C4'-P energy: -24.639
bonds (distance) P-C4' energy: -18.070
flat angles C4'-P-C4' energy: -26.043
flat angles P-C4'-P energy: -15.389
tors. eta vs tors. theta energy: -27.190
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: 2, replica: 8
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -360.313765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.313765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.971787 (E_RNA)
where:
Base-Base interactions energy: -240.979
where: short stacking energy: -97.270
Base-Backbone interact. energy: -0.849
local terms energy: -120.143540
where:
bonds (distance) C4'-P energy: -25.434
bonds (distance) P-C4' energy: -23.849
flat angles C4'-P-C4' energy: -25.107
flat angles P-C4'-P energy: -14.143
tors. eta vs tors. theta energy: -31.610
Dist. restrs. and SS energy: 1.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -355.314201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.314201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.699350 (E_RNA)
where:
Base-Base interactions energy: -250.645
where: short stacking energy: -91.464
Base-Backbone interact. energy: -0.662
local terms energy: -105.392336
where:
bonds (distance) C4'-P energy: -18.421
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -19.721
flat angles P-C4'-P energy: -18.529
tors. eta vs tors. theta energy: -28.789
Dist. restrs. and SS energy: 1.385 (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: 7
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -339.818007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.818007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.942154 (E_RNA)
where:
Base-Base interactions energy: -234.350
where: short stacking energy: -88.850
Base-Backbone interact. energy: 1.048
local terms energy: -108.640303
where:
bonds (distance) C4'-P energy: -22.986
bonds (distance) P-C4' energy: -22.594
flat angles C4'-P-C4' energy: -25.181
flat angles P-C4'-P energy: -15.093
tors. eta vs tors. theta energy: -22.787
Dist. restrs. and SS energy: 2.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -283.877167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.877167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.091537 (E_RNA)
where:
Base-Base interactions energy: -193.959
where: short stacking energy: -89.009
Base-Backbone interact. energy: -1.115
local terms energy: -93.017704
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -26.289
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -19.835
Dist. restrs. and SS energy: 4.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -290.757180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.757180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.151121 (E_RNA)
where:
Base-Base interactions energy: -203.371
where: short stacking energy: -80.641
Base-Backbone interact. energy: -0.791
local terms energy: -87.988839
where:
bonds (distance) C4'-P energy: -17.922
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -23.097
Dist. restrs. and SS energy: 1.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -254.480129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.480129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.118947 (E_RNA)
where:
Base-Base interactions energy: -150.785
where: short stacking energy: -65.203
Base-Backbone interact. energy: -1.590
local terms energy: -105.744233
where:
bonds (distance) C4'-P energy: -25.646
bonds (distance) P-C4' energy: -23.614
flat angles C4'-P-C4' energy: -24.671
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: -19.280
Dist. restrs. and SS energy: 3.639 (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: 10
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -254.269033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.269033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.345289 (E_RNA)
where:
Base-Base interactions energy: -160.508
where: short stacking energy: -68.958
Base-Backbone interact. energy: 0.014
local terms energy: -96.850492
where:
bonds (distance) C4'-P energy: -24.292
bonds (distance) P-C4' energy: -21.665
flat angles C4'-P-C4' energy: -20.925
flat angles P-C4'-P energy: -13.396
tors. eta vs tors. theta energy: -16.573
Dist. restrs. and SS energy: 3.076 (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: 3
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -239.941905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.941905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.423319 (E_RNA)
where:
Base-Base interactions energy: -162.878
where: short stacking energy: -65.986
Base-Backbone interact. energy: -0.690
local terms energy: -79.855008
where:
bonds (distance) C4'-P energy: -22.595
bonds (distance) P-C4' energy: -20.529
flat angles C4'-P-C4' energy: -19.501
flat angles P-C4'-P energy: -6.265
tors. eta vs tors. theta energy: -10.965
Dist. restrs. and SS energy: 3.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -249.153373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.153373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.349570 (E_RNA)
where:
Base-Base interactions energy: -170.077
where: short stacking energy: -63.779
Base-Backbone interact. energy: -1.435
local terms energy: -78.838070
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -11.398
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -16.784
tors. eta vs tors. theta energy: -19.247
Dist. restrs. and SS energy: 1.196 (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: 8
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -366.283044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.283044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.747605 (E_RNA)
where:
Base-Base interactions energy: -252.725
where: short stacking energy: -107.688
Base-Backbone interact. energy: -0.728
local terms energy: -114.295047
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -22.938
flat angles C4'-P-C4' energy: -23.307
flat angles P-C4'-P energy: -14.137
tors. eta vs tors. theta energy: -32.167
Dist. restrs. and SS energy: 1.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -362.132784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.132784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.488479 (E_RNA)
where:
Base-Base interactions energy: -251.869
where: short stacking energy: -88.991
Base-Backbone interact. energy: 0.425
local terms energy: -112.044114
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -24.860
flat angles C4'-P-C4' energy: -24.268
flat angles P-C4'-P energy: -17.937
tors. eta vs tors. theta energy: -27.570
Dist. restrs. and SS energy: 1.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -356.665651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.665651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.226330 (E_RNA)
where:
Base-Base interactions energy: -246.339
where: short stacking energy: -97.029
Base-Backbone interact. energy: -1.898
local terms energy: -108.989468
where:
bonds (distance) C4'-P energy: -20.827
bonds (distance) P-C4' energy: -22.704
flat angles C4'-P-C4' energy: -18.666
flat angles P-C4'-P energy: -18.398
tors. eta vs tors. theta energy: -28.395
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: 4, replica: 7
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -335.396510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.396510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.673618 (E_RNA)
where:
Base-Base interactions energy: -240.227
where: short stacking energy: -92.680
Base-Backbone interact. energy: 0.497
local terms energy: -97.943630
where:
bonds (distance) C4'-P energy: -18.695
bonds (distance) P-C4' energy: -21.225
flat angles C4'-P-C4' energy: -24.676
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -20.349
Dist. restrs. and SS energy: 2.277 (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: 1
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -310.082731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.082731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.960515 (E_RNA)
where:
Base-Base interactions energy: -214.034
where: short stacking energy: -78.161
Base-Backbone interact. energy: -0.810
local terms energy: -96.116472
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -23.883
flat angles C4'-P-C4' energy: -23.639
flat angles P-C4'-P energy: -12.602
tors. eta vs tors. theta energy: -17.906
Dist. restrs. and SS energy: 0.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -274.161892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.161892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.068531 (E_RNA)
where:
Base-Base interactions energy: -187.412
where: short stacking energy: -74.894
Base-Backbone interact. energy: -0.953
local terms energy: -86.703281
where:
bonds (distance) C4'-P energy: -22.039
bonds (distance) P-C4' energy: -20.118
flat angles C4'-P-C4' energy: -17.323
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -16.412
Dist. restrs. and SS energy: 0.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -277.838367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.838367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.341420 (E_RNA)
where:
Base-Base interactions energy: -187.860
where: short stacking energy: -80.063
Base-Backbone interact. energy: -0.106
local terms energy: -93.375335
where:
bonds (distance) C4'-P energy: -22.111
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -16.439
tors. eta vs tors. theta energy: -20.923
Dist. restrs. and SS energy: 3.503 (S_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: 254
Temperature: 1.250000
Total energy: -238.634386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.634386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.936948 (E_RNA)
where:
Base-Base interactions energy: -154.845
where: short stacking energy: -61.787
Base-Backbone interact. energy: -0.075
local terms energy: -90.016662
where:
bonds (distance) C4'-P energy: -22.522
bonds (distance) P-C4' energy: -24.987
flat angles C4'-P-C4' energy: -21.662
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -10.814
Dist. restrs. and SS energy: 6.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -248.134367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.134367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.256373 (E_RNA)
where:
Base-Base interactions energy: -180.395
where: short stacking energy: -69.545
Base-Backbone interact. energy: -0.998
local terms energy: -69.863542
where:
bonds (distance) C4'-P energy: -18.612
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -7.295
tors. eta vs tors. theta energy: -12.345
Dist. restrs. and SS energy: 3.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -224.554097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.554097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.748377 (E_RNA)
where:
Base-Base interactions energy: -139.699
where: short stacking energy: -50.971
Base-Backbone interact. energy: -0.063
local terms energy: -86.986335
where:
bonds (distance) C4'-P energy: -17.807
bonds (distance) P-C4' energy: -23.928
flat angles C4'-P-C4' energy: -19.687
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -12.703
Dist. restrs. and SS energy: 2.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -375.889042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.889042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.490335 (E_RNA)
where:
Base-Base interactions energy: -259.664
where: short stacking energy: -99.625
Base-Backbone interact. energy: -0.866
local terms energy: -115.960818
where:
bonds (distance) C4'-P energy: -23.190
bonds (distance) P-C4' energy: -22.040
flat angles C4'-P-C4' energy: -24.041
flat angles P-C4'-P energy: -18.361
tors. eta vs tors. theta energy: -28.328
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: 2, replica: 9
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -360.300624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.300624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.537265 (E_RNA)
where:
Base-Base interactions energy: -241.813
where: short stacking energy: -97.962
Base-Backbone interact. energy: -0.918
local terms energy: -118.806419
where:
bonds (distance) C4'-P energy: -24.665
bonds (distance) P-C4' energy: -24.836
flat angles C4'-P-C4' energy: -24.046
flat angles P-C4'-P energy: -14.251
tors. eta vs tors. theta energy: -31.008
Dist. restrs. and SS energy: 1.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -359.501299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.501299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.338203 (E_RNA)
where:
Base-Base interactions energy: -243.111
where: short stacking energy: -99.858
Base-Backbone interact. energy: -0.321
local terms energy: -116.906193
where:
bonds (distance) C4'-P energy: -24.690
bonds (distance) P-C4' energy: -20.822
flat angles C4'-P-C4' energy: -25.821
flat angles P-C4'-P energy: -19.597
tors. eta vs tors. theta energy: -25.976
Dist. restrs. and SS energy: 0.837 (S_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: -344.579627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.579627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.051243 (E_RNA)
where:
Base-Base interactions energy: -250.236
where: short stacking energy: -93.741
Base-Backbone interact. energy: -0.570
local terms energy: -96.245052
where:
bonds (distance) C4'-P energy: -24.007
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -18.098
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -24.743
Dist. restrs. and SS energy: 2.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -332.116581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.116581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.843515 (E_RNA)
where:
Base-Base interactions energy: -234.204
where: short stacking energy: -88.990
Base-Backbone interact. energy: -1.645
local terms energy: -97.995016
where:
bonds (distance) C4'-P energy: -21.913
bonds (distance) P-C4' energy: -22.303
flat angles C4'-P-C4' energy: -17.073
flat angles P-C4'-P energy: -14.624
tors. eta vs tors. theta energy: -22.082
Dist. restrs. and SS energy: 1.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -259.218002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.218002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.466500 (E_RNA)
where:
Base-Base interactions energy: -162.796
where: short stacking energy: -79.238
Base-Backbone interact. energy: -1.024
local terms energy: -106.646920
where:
bonds (distance) C4'-P energy: -20.421
bonds (distance) P-C4' energy: -24.056
flat angles C4'-P-C4' energy: -25.298
flat angles P-C4'-P energy: -16.947
tors. eta vs tors. theta energy: -19.924
Dist. restrs. and SS energy: 11.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -262.801789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.801789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.887829 (E_RNA)
where:
Base-Base interactions energy: -161.684
where: short stacking energy: -73.263
Base-Backbone interact. energy: -0.189
local terms energy: -102.015185
where:
bonds (distance) C4'-P energy: -20.728
bonds (distance) P-C4' energy: -23.281
flat angles C4'-P-C4' energy: -19.827
flat angles P-C4'-P energy: -16.616
tors. eta vs tors. theta energy: -21.563
Dist. restrs. and SS energy: 1.086 (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: 10
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -261.610988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.610988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.561553 (E_RNA)
where:
Base-Base interactions energy: -174.142
where: short stacking energy: -70.014
Base-Backbone interact. energy: -0.222
local terms energy: -88.198111
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -24.879
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -18.857
Dist. restrs. and SS energy: 0.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -234.674905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.674905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.252553 (E_RNA)
where:
Base-Base interactions energy: -160.749
where: short stacking energy: -68.476
Base-Backbone interact. energy: -0.985
local terms energy: -73.518285
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -23.602
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -8.777
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: 10, replica: 3
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -213.815115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.815115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.405536 (E_RNA)
where:
Base-Base interactions energy: -132.893
where: short stacking energy: -66.524
Base-Backbone interact. energy: -0.671
local terms energy: -85.842327
where:
bonds (distance) C4'-P energy: -19.911
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -20.533
flat angles P-C4'-P energy: -16.016
tors. eta vs tors. theta energy: -11.590
Dist. restrs. and SS energy: 5.590 (S_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: 256
Temperature: 0.900000
Total energy: -351.615111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.615111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.844809 (E_RNA)
where:
Base-Base interactions energy: -239.310
where: short stacking energy: -95.962
Base-Backbone interact. energy: -0.595
local terms energy: -111.939573
where:
bonds (distance) C4'-P energy: -23.283
bonds (distance) P-C4' energy: -23.061
flat angles C4'-P-C4' energy: -22.657
flat angles P-C4'-P energy: -15.641
tors. eta vs tors. theta energy: -27.298
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: 2, replica: 8
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -360.614399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.614399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.943254 (E_RNA)
where:
Base-Base interactions energy: -252.178
where: short stacking energy: -92.555
Base-Backbone interact. energy: -0.611
local terms energy: -109.154066
where:
bonds (distance) C4'-P energy: -20.994
bonds (distance) P-C4' energy: -19.173
flat angles C4'-P-C4' energy: -25.647
flat angles P-C4'-P energy: -18.032
tors. eta vs tors. theta energy: -25.309
Dist. restrs. and SS energy: 1.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -358.220296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.220296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.395633 (E_RNA)
where:
Base-Base interactions energy: -240.665
where: short stacking energy: -102.509
Base-Backbone interact. energy: 0.038
local terms energy: -117.767914
where:
bonds (distance) C4'-P energy: -21.748
bonds (distance) P-C4' energy: -27.989
flat angles C4'-P-C4' energy: -22.718
flat angles P-C4'-P energy: -16.040
tors. eta vs tors. theta energy: -29.274
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: 4, replica: 7
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -341.071706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.071706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.605707 (E_RNA)
where:
Base-Base interactions energy: -239.934
where: short stacking energy: -88.272
Base-Backbone interact. energy: -1.161
local terms energy: -100.510747
where:
bonds (distance) C4'-P energy: -18.078
bonds (distance) P-C4' energy: -22.905
flat angles C4'-P-C4' energy: -19.215
flat angles P-C4'-P energy: -14.308
tors. eta vs tors. theta energy: -26.005
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: 5, replica: 1
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -339.147253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.147253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.562002 (E_RNA)
where:
Base-Base interactions energy: -236.034
where: short stacking energy: -91.565
Base-Backbone interact. energy: -0.575
local terms energy: -103.953129
where:
bonds (distance) C4'-P energy: -21.951
bonds (distance) P-C4' energy: -19.398
flat angles C4'-P-C4' energy: -21.743
flat angles P-C4'-P energy: -15.502
tors. eta vs tors. theta energy: -25.358
Dist. restrs. and SS energy: 1.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -252.460143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.460143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.609130 (E_RNA)
where:
Base-Base interactions energy: -167.194
where: short stacking energy: -74.885
Base-Backbone interact. energy: -0.721
local terms energy: -89.694491
where:
bonds (distance) C4'-P energy: -21.480
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -20.852
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -17.825
Dist. restrs. and SS energy: 5.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -276.127113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.127113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.535676 (E_RNA)
where:
Base-Base interactions energy: -188.418
where: short stacking energy: -79.375
Base-Backbone interact. energy: 0.532
local terms energy: -88.650060
where:
bonds (distance) C4'-P energy: -19.549
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -20.650
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -19.900
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: 8, replica: 10
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -254.619213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.619213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.909576 (E_RNA)
where:
Base-Base interactions energy: -164.402
where: short stacking energy: -68.631
Base-Backbone interact. energy: -1.096
local terms energy: -94.411426
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -21.693
flat angles C4'-P-C4' energy: -21.337
flat angles P-C4'-P energy: -17.272
tors. eta vs tors. theta energy: -16.069
Dist. restrs. and SS energy: 5.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -235.392519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.392519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.094773 (E_RNA)
where:
Base-Base interactions energy: -155.419
where: short stacking energy: -62.156
Base-Backbone interact. energy: 1.640
local terms energy: -85.315892
where:
bonds (distance) C4'-P energy: -18.430
bonds (distance) P-C4' energy: -22.571
flat angles C4'-P-C4' energy: -20.584
flat angles P-C4'-P energy: -13.895
tors. eta vs tors. theta energy: -9.835
Dist. restrs. and SS energy: 3.702 (S_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: -227.198037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.198037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.309569 (E_RNA)
where:
Base-Base interactions energy: -148.883
where: short stacking energy: -75.304
Base-Backbone interact. energy: 3.062
local terms energy: -95.488874
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -22.127
flat angles C4'-P-C4' energy: -20.770
flat angles P-C4'-P energy: -15.917
tors. eta vs tors. theta energy: -22.122
Dist. restrs. and SS energy: 14.112 (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: 9
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -365.947166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.947166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.314746 (E_RNA)
where:
Base-Base interactions energy: -249.006
where: short stacking energy: -95.967
Base-Backbone interact. energy: -0.912
local terms energy: -116.397294
where:
bonds (distance) C4'-P energy: -22.009
bonds (distance) P-C4' energy: -25.006
flat angles C4'-P-C4' energy: -20.221
flat angles P-C4'-P energy: -18.904
tors. eta vs tors. theta energy: -30.258
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: 2, replica: 4
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -363.894765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.894765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.433164 (E_RNA)
where:
Base-Base interactions energy: -255.983
where: short stacking energy: -92.356
Base-Backbone interact. energy: 1.567
local terms energy: -111.017253
where:
bonds (distance) C4'-P energy: -18.115
bonds (distance) P-C4' energy: -24.796
flat angles C4'-P-C4' energy: -22.593
flat angles P-C4'-P energy: -18.196
tors. eta vs tors. theta energy: -27.317
Dist. restrs. and SS energy: 1.538 (S_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: 257
Temperature: 1.000000
Total energy: -339.285533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.285533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.084067 (E_RNA)
where:
Base-Base interactions energy: -246.474
where: short stacking energy: -99.372
Base-Backbone interact. energy: -0.424
local terms energy: -93.186103
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -19.905
flat angles C4'-P-C4' energy: -20.456
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -26.918
Dist. restrs. and SS energy: 0.799 (S_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: 257
Temperature: 1.050000
Total energy: -350.755396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.755396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.171530 (E_RNA)
where:
Base-Base interactions energy: -236.865
where: short stacking energy: -86.703
Base-Backbone interact. energy: -0.770
local terms energy: -113.536607
where:
bonds (distance) C4'-P energy: -22.841
bonds (distance) P-C4' energy: -21.723
flat angles C4'-P-C4' energy: -25.122
flat angles P-C4'-P energy: -18.388
tors. eta vs tors. theta energy: -25.463
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: 5, replica: 1
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -342.089585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.089585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.450543 (E_RNA)
where:
Base-Base interactions energy: -247.198
where: short stacking energy: -89.711
Base-Backbone interact. energy: -1.535
local terms energy: -94.716659
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -20.136
flat angles C4'-P-C4' energy: -20.847
flat angles P-C4'-P energy: -14.634
tors. eta vs tors. theta energy: -24.768
Dist. restrs. and SS energy: 1.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -280.437294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.437294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.564502 (E_RNA)
where:
Base-Base interactions energy: -194.216
where: short stacking energy: -79.929
Base-Backbone interact. energy: -0.410
local terms energy: -88.938655
where:
bonds (distance) C4'-P energy: -18.539
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -22.637
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -21.587
Dist. restrs. and SS energy: 3.127 (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: 6
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -275.464495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.464495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.091144 (E_RNA)
where:
Base-Base interactions energy: -200.118
where: short stacking energy: -76.437
Base-Backbone interact. energy: 0.336
local terms energy: -78.309370
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -20.323
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -12.763
Dist. restrs. and SS energy: 2.627 (S_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: 257
Temperature: 1.250000
Total energy: -240.338706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.338706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.869177 (E_RNA)
where:
Base-Base interactions energy: -155.276
where: short stacking energy: -63.494
Base-Backbone interact. energy: 0.908
local terms energy: -90.501171
where:
bonds (distance) C4'-P energy: -23.219
bonds (distance) P-C4' energy: -20.909
flat angles C4'-P-C4' energy: -24.440
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -10.263
Dist. restrs. and SS energy: 4.530 (S_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: 257
Temperature: 1.300000
Total energy: -253.813282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.813282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.100406 (E_RNA)
where:
Base-Base interactions energy: -171.953
where: short stacking energy: -66.081
Base-Backbone interact. energy: -0.307
local terms energy: -81.840633
where:
bonds (distance) C4'-P energy: -19.974
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -18.505
flat angles P-C4'-P energy: -16.079
tors. eta vs tors. theta energy: -11.679
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: 10, replica: 3
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -241.372669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.372669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.657986 (E_RNA)
where:
Base-Base interactions energy: -164.206
where: short stacking energy: -69.966
Base-Backbone interact. energy: -0.755
local terms energy: -81.696704
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -22.724
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -16.211
Dist. restrs. and SS energy: 5.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -365.175015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.175015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.477375 (E_RNA)
where:
Base-Base interactions energy: -253.437
where: short stacking energy: -95.961
Base-Backbone interact. energy: -0.446
local terms energy: -112.594755
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -24.497
flat angles C4'-P-C4' energy: -22.380
flat angles P-C4'-P energy: -17.570
tors. eta vs tors. theta energy: -29.909
Dist. restrs. and SS energy: 1.302 (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: 9
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -360.025390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.025390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.348658 (E_RNA)
where:
Base-Base interactions energy: -252.462
where: short stacking energy: -106.916
Base-Backbone interact. energy: -0.834
local terms energy: -108.052881
where:
bonds (distance) C4'-P energy: -18.940
bonds (distance) P-C4' energy: -24.469
flat angles C4'-P-C4' energy: -23.760
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -30.259
Dist. restrs. and SS energy: 1.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -343.358535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.358535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.469155 (E_RNA)
where:
Base-Base interactions energy: -237.199
where: short stacking energy: -92.596
Base-Backbone interact. energy: -0.457
local terms energy: -105.813237
where:
bonds (distance) C4'-P energy: -23.502
bonds (distance) P-C4' energy: -22.422
flat angles C4'-P-C4' energy: -21.362
flat angles P-C4'-P energy: -14.841
tors. eta vs tors. theta energy: -23.686
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: 8
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -342.252097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.252097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.464336 (E_RNA)
where:
Base-Base interactions energy: -231.872
where: short stacking energy: -89.795
Base-Backbone interact. energy: -0.575
local terms energy: -111.017735
where:
bonds (distance) C4'-P energy: -24.756
bonds (distance) P-C4' energy: -24.059
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -15.327
tors. eta vs tors. theta energy: -31.241
Dist. restrs. and SS energy: 1.212 (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: 258
Temperature: 1.100000
Total energy: -331.868158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.868158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.101289 (E_RNA)
where:
Base-Base interactions energy: -232.483
where: short stacking energy: -89.651
Base-Backbone interact. energy: 1.022
local terms energy: -101.641139
where:
bonds (distance) C4'-P energy: -18.580
bonds (distance) P-C4' energy: -25.643
flat angles C4'-P-C4' energy: -18.005
flat angles P-C4'-P energy: -15.245
tors. eta vs tors. theta energy: -24.168
Dist. restrs. and SS energy: 1.233 (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: 5
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -296.163478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.163478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.326802 (E_RNA)
where:
Base-Base interactions energy: -198.343
where: short stacking energy: -77.730
Base-Backbone interact. energy: -0.771
local terms energy: -98.213095
where:
bonds (distance) C4'-P energy: -19.522
bonds (distance) P-C4' energy: -23.906
flat angles C4'-P-C4' energy: -21.401
flat angles P-C4'-P energy: -13.720
tors. eta vs tors. theta energy: -19.664
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: 7, replica: 6
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -261.409335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.409335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.288883 (E_RNA)
where:
Base-Base interactions energy: -176.638
where: short stacking energy: -77.779
Base-Backbone interact. energy: -0.638
local terms energy: -86.013198
where:
bonds (distance) C4'-P energy: -20.919
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -19.452
Dist. restrs. and SS energy: 1.880 (S_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: 258
Temperature: 1.250000
Total energy: -212.034042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.034042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.977016 (E_RNA)
where:
Base-Base interactions energy: -143.638
where: short stacking energy: -53.410
Base-Backbone interact. energy: -0.587
local terms energy: -71.752090
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -14.573
tors. eta vs tors. theta energy: -5.888
Dist. restrs. and SS energy: 3.943 (S_DIST_RNA)
chem. 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: -220.612990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.612990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.124808 (E_RNA)
where:
Base-Base interactions energy: -144.714
where: short stacking energy: -69.989
Base-Backbone interact. energy: -0.774
local terms energy: -80.637588
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -22.133
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -15.166
Dist. restrs. and SS energy: 5.512 (S_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: 258
Temperature: 1.350000
Total energy: -237.717613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.717613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.128433 (E_RNA)
where:
Base-Base interactions energy: -167.332
where: short stacking energy: -53.336
Base-Backbone interact. energy: 0.289
local terms energy: -71.085502
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -23.699
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -9.823
Dist. restrs. and SS energy: 0.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -369.529907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.529907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.559208 (E_RNA)
where:
Base-Base interactions energy: -264.607
where: short stacking energy: -95.760
Base-Backbone interact. energy: -0.358
local terms energy: -105.594007
where:
bonds (distance) C4'-P energy: -21.201
bonds (distance) P-C4' energy: -19.974
flat angles C4'-P-C4' energy: -20.163
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -31.310
Dist. restrs. and SS energy: 1.029 (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: 7
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -358.894902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.894902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.006682 (E_RNA)
where:
Base-Base interactions energy: -252.546
where: short stacking energy: -99.711
Base-Backbone interact. energy: -0.535
local terms energy: -106.925374
where:
bonds (distance) C4'-P energy: -21.757
bonds (distance) P-C4' energy: -25.251
flat angles C4'-P-C4' energy: -19.992
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -27.906
Dist. restrs. and SS energy: 1.112 (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: 259
Temperature: 1.000000
Total energy: -352.354291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.354291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.680831 (E_RNA)
where:
Base-Base interactions energy: -240.033
where: short stacking energy: -99.110
Base-Backbone interact. energy: -1.416
local terms energy: -112.231848
where:
bonds (distance) C4'-P energy: -24.333
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -24.585
flat angles P-C4'-P energy: -15.743
tors. eta vs tors. theta energy: -27.144
Dist. restrs. and SS energy: 1.327 (S_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: -348.652136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.652136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.425867 (E_RNA)
where:
Base-Base interactions energy: -239.905
where: short stacking energy: -103.974
Base-Backbone interact. energy: -0.579
local terms energy: -108.942246
where:
bonds (distance) C4'-P energy: -20.944
bonds (distance) P-C4' energy: -23.899
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -15.405
tors. eta vs tors. theta energy: -30.584
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: 5, replica: 1
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -339.399335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.399335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.952706 (E_RNA)
where:
Base-Base interactions energy: -235.528
where: short stacking energy: -89.340
Base-Backbone interact. energy: -1.479
local terms energy: -103.944894
where:
bonds (distance) C4'-P energy: -20.953
bonds (distance) P-C4' energy: -20.091
flat angles C4'-P-C4' energy: -23.453
flat angles P-C4'-P energy: -14.086
tors. eta vs tors. theta energy: -25.361
Dist. restrs. and SS energy: 1.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -263.898920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.898920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.501741 (E_RNA)
where:
Base-Base interactions energy: -178.270
where: short stacking energy: -71.241
Base-Backbone interact. energy: -0.462
local terms energy: -88.768925
where:
bonds (distance) C4'-P energy: -21.803
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -21.805
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -18.596
Dist. restrs. and SS energy: 3.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -277.143751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.143751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.654569 (E_RNA)
where:
Base-Base interactions energy: -199.600
where: short stacking energy: -72.776
Base-Backbone interact. energy: -0.224
local terms energy: -77.830474
where:
bonds (distance) C4'-P energy: -22.103
bonds (distance) P-C4' energy: -14.708
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -12.401
tors. eta vs tors. theta energy: -12.214
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: 8, replica: 3
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -258.174591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.174591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.650519 (E_RNA)
where:
Base-Base interactions energy: -175.390
where: short stacking energy: -65.729
Base-Backbone interact. energy: -0.203
local terms energy: -84.057135
where:
bonds (distance) C4'-P energy: -20.389
bonds (distance) P-C4' energy: -24.467
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -12.881
Dist. restrs. and SS energy: 1.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -250.309522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.309522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.117539 (E_RNA)
where:
Base-Base interactions energy: -172.063
where: short stacking energy: -78.549
Base-Backbone interact. energy: 0.095
local terms energy: -81.149061
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -20.999
flat angles C4'-P-C4' energy: -18.403
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -14.249
Dist. restrs. and SS energy: 2.808 (S_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: 259
Temperature: 1.350000
Total energy: -240.997694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.997694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.148376 (E_RNA)
where:
Base-Base interactions energy: -167.259
where: short stacking energy: -75.502
Base-Backbone interact. energy: 0.696
local terms energy: -77.585484
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -18.931
flat angles C4'-P-C4' energy: -19.697
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -14.070
Dist. restrs. and SS energy: 3.151 (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: 4
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -369.072316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.072316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.641543 (E_RNA)
where:
Base-Base interactions energy: -253.228
where: short stacking energy: -98.170
Base-Backbone interact. energy: 0.715
local terms energy: -118.127757
where:
bonds (distance) C4'-P energy: -23.386
bonds (distance) P-C4' energy: -26.090
flat angles C4'-P-C4' energy: -20.460
flat angles P-C4'-P energy: -18.714
tors. eta vs tors. theta energy: -29.477
Dist. restrs. and SS energy: 1.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -354.744149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.744149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.385367 (E_RNA)
where:
Base-Base interactions energy: -253.627
where: short stacking energy: -95.263
Base-Backbone interact. energy: -0.611
local terms energy: -102.147063
where:
bonds (distance) C4'-P energy: -17.527
bonds (distance) P-C4' energy: -18.317
flat angles C4'-P-C4' energy: -22.893
flat angles P-C4'-P energy: -17.683
tors. eta vs tors. theta energy: -25.727
Dist. restrs. and SS energy: 1.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -356.928522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.928522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.567766 (E_RNA)
where:
Base-Base interactions energy: -249.743
where: short stacking energy: -95.708
Base-Backbone interact. energy: -0.633
local terms energy: -108.191831
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -23.427
flat angles C4'-P-C4' energy: -23.217
flat angles P-C4'-P energy: -19.713
tors. eta vs tors. theta energy: -28.383
Dist. restrs. and SS energy: 1.639 (S_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: 260
Temperature: 1.050000
Total energy: -346.140206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.140206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.771217 (E_RNA)
where:
Base-Base interactions energy: -242.452
where: short stacking energy: -98.551
Base-Backbone interact. energy: -0.409
local terms energy: -103.909765
where:
bonds (distance) C4'-P energy: -17.046
bonds (distance) P-C4' energy: -22.759
flat angles C4'-P-C4' energy: -18.772
flat angles P-C4'-P energy: -18.255
tors. eta vs tors. theta energy: -27.078
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: 5, replica: 1
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -321.925291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.925291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.623656 (E_RNA)
where:
Base-Base interactions energy: -227.136
where: short stacking energy: -92.014
Base-Backbone interact. energy: -0.305
local terms energy: -96.182756
where:
bonds (distance) C4'-P energy: -22.923
bonds (distance) P-C4' energy: -19.357
flat angles C4'-P-C4' energy: -18.823
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -24.201
Dist. restrs. and SS energy: 1.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -265.482829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.482829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.298368 (E_RNA)
where:
Base-Base interactions energy: -176.416
where: short stacking energy: -85.618
Base-Backbone interact. energy: -0.439
local terms energy: -93.443662
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -18.648
flat angles C4'-P-C4' energy: -21.035
flat angles P-C4'-P energy: -15.594
tors. eta vs tors. theta energy: -23.429
Dist. restrs. and SS energy: 4.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -278.655146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.655146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.548623 (E_RNA)
where:
Base-Base interactions energy: -194.515
where: short stacking energy: -75.378
Base-Backbone interact. energy: -1.226
local terms energy: -86.806881
where:
bonds (distance) C4'-P energy: -19.787
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -21.028
flat angles P-C4'-P energy: -16.240
tors. eta vs tors. theta energy: -11.393
Dist. restrs. and SS energy: 3.893 (S_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: -264.915995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.915995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.685447 (E_RNA)
where:
Base-Base interactions energy: -175.269
where: short stacking energy: -72.641
Base-Backbone interact. energy: -1.756
local terms energy: -90.660556
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -21.025
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -15.776
tors. eta vs tors. theta energy: -18.127
Dist. restrs. and SS energy: 2.769 (S_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: -242.237113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.237113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.277634 (E_RNA)
where:
Base-Base interactions energy: -150.945
where: short stacking energy: -74.720
Base-Backbone interact. energy: -0.100
local terms energy: -93.232786
where:
bonds (distance) C4'-P energy: -19.548
bonds (distance) P-C4' energy: -23.254
flat angles C4'-P-C4' energy: -20.528
flat angles P-C4'-P energy: -14.257
tors. eta vs tors. theta energy: -15.645
Dist. restrs. and SS energy: 2.041 (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: 2
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -248.265043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.265043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.158202 (E_RNA)
where:
Base-Base interactions energy: -169.909
where: short stacking energy: -65.350
Base-Backbone interact. energy: -0.366
local terms energy: -80.882485
where:
bonds (distance) C4'-P energy: -18.901
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -19.830
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -14.873
Dist. restrs. and SS energy: 2.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -370.218662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.218662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.799714 (E_RNA)
where:
Base-Base interactions energy: -250.018
where: short stacking energy: -102.024
Base-Backbone interact. energy: -0.344
local terms energy: -120.437303
where:
bonds (distance) C4'-P energy: -24.203
bonds (distance) P-C4' energy: -24.828
flat angles C4'-P-C4' energy: -24.119
flat angles P-C4'-P energy: -16.580
tors. eta vs tors. theta energy: -30.707
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: 2, replica: 9
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -356.876800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.876800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.757270 (E_RNA)
where:
Base-Base interactions energy: -247.270
where: short stacking energy: -94.301
Base-Backbone interact. energy: -0.597
local terms energy: -109.889903
where:
bonds (distance) C4'-P energy: -21.628
bonds (distance) P-C4' energy: -27.299
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -15.811
tors. eta vs tors. theta energy: -27.470
Dist. restrs. and SS energy: 0.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -348.430491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.430491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.704112 (E_RNA)
where:
Base-Base interactions energy: -239.464
where: short stacking energy: -103.689
Base-Backbone interact. energy: 0.120
local terms energy: -109.360211
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -19.583
flat angles C4'-P-C4' energy: -20.953
flat angles P-C4'-P energy: -19.181
tors. eta vs tors. theta energy: -30.774
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: 4, replica: 8
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -345.222628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.222628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.879237 (E_RNA)
where:
Base-Base interactions energy: -239.077
where: short stacking energy: -93.631
Base-Backbone interact. energy: -0.648
local terms energy: -106.154377
where:
bonds (distance) C4'-P energy: -21.232
bonds (distance) P-C4' energy: -16.953
flat angles C4'-P-C4' energy: -23.151
flat angles P-C4'-P energy: -21.216
tors. eta vs tors. theta energy: -23.603
Dist. restrs. and SS energy: 0.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -332.755789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.755789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.930965 (E_RNA)
where:
Base-Base interactions energy: -235.379
where: short stacking energy: -96.280
Base-Backbone interact. energy: -0.943
local terms energy: -96.608347
where:
bonds (distance) C4'-P energy: -23.670
bonds (distance) P-C4' energy: -19.320
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -14.394
tors. eta vs tors. theta energy: -22.555
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: 6, replica: 5
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -281.242988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.242988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.667378 (E_RNA)
where:
Base-Base interactions energy: -185.915
where: short stacking energy: -79.229
Base-Backbone interact. energy: -0.351
local terms energy: -96.401245
where:
bonds (distance) C4'-P energy: -22.748
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -22.018
flat angles P-C4'-P energy: -14.610
tors. eta vs tors. theta energy: -20.287
Dist. restrs. and SS energy: 1.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -280.198228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.198228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.793481 (E_RNA)
where:
Base-Base interactions energy: -188.946
where: short stacking energy: -72.152
Base-Backbone interact. energy: -0.691
local terms energy: -91.156750
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -21.149
flat angles C4'-P-C4' energy: -21.097
flat angles P-C4'-P energy: -14.369
tors. eta vs tors. theta energy: -20.634
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: 8, replica: 10
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -252.340384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.340384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.252953 (E_RNA)
where:
Base-Base interactions energy: -172.849
where: short stacking energy: -67.796
Base-Backbone interact. energy: -0.100
local terms energy: -81.304290
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -24.684
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -12.198
Dist. restrs. and SS energy: 1.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -243.443726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.443726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.798374 (E_RNA)
where:
Base-Base interactions energy: -164.839
where: short stacking energy: -67.620
Base-Backbone interact. energy: 0.131
local terms energy: -80.090153
where:
bonds (distance) C4'-P energy: -19.196
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -19.909
flat angles P-C4'-P energy: -16.015
tors. eta vs tors. theta energy: -11.665
Dist. restrs. and SS energy: 1.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -256.557703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.557703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.319316 (E_RNA)
where:
Base-Base interactions energy: -171.634
where: short stacking energy: -68.023
Base-Backbone interact. energy: -1.068
local terms energy: -87.617481
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -20.657
flat angles C4'-P-C4' energy: -21.185
flat angles P-C4'-P energy: -15.065
tors. eta vs tors. theta energy: -14.487
Dist. restrs. and SS energy: 3.762 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -370.120772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.120772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.648745 (E_RNA)
where:
Base-Base interactions energy: -261.448
where: short stacking energy: -105.013
Base-Backbone interact. energy: -0.606
local terms energy: -109.594544
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -26.220
flat angles C4'-P-C4' energy: -22.464
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -28.442
Dist. restrs. and SS energy: 1.528 (S_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: 262
Temperature: 0.950000
Total energy: -365.204007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.204007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.736677 (E_RNA)
where:
Base-Base interactions energy: -256.280
where: short stacking energy: -96.894
Base-Backbone interact. energy: -0.768
local terms energy: -109.688234
where:
bonds (distance) C4'-P energy: -22.611
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -25.692
flat angles P-C4'-P energy: -15.439
tors. eta vs tors. theta energy: -25.109
Dist. restrs. and SS energy: 1.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -347.758925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.758925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.893504 (E_RNA)
where:
Base-Base interactions energy: -245.119
where: short stacking energy: -90.215
Base-Backbone interact. energy: -2.415
local terms energy: -101.359341
where:
bonds (distance) C4'-P energy: -20.024
bonds (distance) P-C4' energy: -22.774
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -30.591
Dist. restrs. and SS energy: 1.135 (S_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: 262
Temperature: 1.050000
Total energy: -349.350907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.350907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.280803 (E_RNA)
where:
Base-Base interactions energy: -239.054
where: short stacking energy: -87.468
Base-Backbone interact. energy: -0.249
local terms energy: -110.978575
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -23.680
flat angles C4'-P-C4' energy: -20.986
flat angles P-C4'-P energy: -15.661
tors. eta vs tors. theta energy: -32.520
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: 5
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -320.291114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.291114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.554487 (E_RNA)
where:
Base-Base interactions energy: -220.899
where: short stacking energy: -89.910
Base-Backbone interact. energy: -0.110
local terms energy: -100.545834
where:
bonds (distance) C4'-P energy: -20.071
bonds (distance) P-C4' energy: -21.618
flat angles C4'-P-C4' energy: -19.324
flat angles P-C4'-P energy: -16.109
tors. eta vs tors. theta energy: -23.424
Dist. restrs. and SS energy: 1.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -301.810536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.810536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.857557 (E_RNA)
where:
Base-Base interactions energy: -212.953
where: short stacking energy: -78.860
Base-Backbone interact. energy: -1.131
local terms energy: -89.772901
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -19.937
flat angles C4'-P-C4' energy: -22.103
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -20.357
Dist. restrs. and SS energy: 2.047 (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: 6
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -245.213336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.213336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.664983 (E_RNA)
where:
Base-Base interactions energy: -171.461
where: short stacking energy: -66.009
Base-Backbone interact. energy: -0.459
local terms energy: -78.744896
where:
bonds (distance) C4'-P energy: -19.204
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -20.684
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -12.109
Dist. restrs. and SS energy: 5.452 (S_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: 262
Temperature: 1.250000
Total energy: -235.626260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.626260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.624246 (E_RNA)
where:
Base-Base interactions energy: -151.862
where: short stacking energy: -66.900
Base-Backbone interact. energy: -0.059
local terms energy: -84.702432
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -23.017
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -13.284
tors. eta vs tors. theta energy: -18.258
Dist. restrs. and SS energy: 0.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -276.533458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.533458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.907071 (E_RNA)
where:
Base-Base interactions energy: -181.801
where: short stacking energy: -73.538
Base-Backbone interact. energy: -0.135
local terms energy: -98.971348
where:
bonds (distance) C4'-P energy: -25.016
bonds (distance) P-C4' energy: -22.862
flat angles C4'-P-C4' energy: -22.217
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -16.229
Dist. restrs. and SS energy: 4.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -240.241971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.241971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.949859 (E_RNA)
where:
Base-Base interactions energy: -158.531
where: short stacking energy: -66.701
Base-Backbone interact. energy: -1.638
local terms energy: -82.780898
where:
bonds (distance) C4'-P energy: -21.430
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -21.572
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -14.579
Dist. restrs. and SS energy: 2.708 (S_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: 263
Temperature: 0.900000
Total energy: -363.409574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.409574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.595571 (E_RNA)
where:
Base-Base interactions energy: -256.274
where: short stacking energy: -94.228
Base-Backbone interact. energy: -0.658
local terms energy: -107.664260
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -26.495
flat angles C4'-P-C4' energy: -22.390
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: -25.254
Dist. restrs. and SS energy: 1.186 (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: 7
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -364.172841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.172841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.747140 (E_RNA)
where:
Base-Base interactions energy: -251.721
where: short stacking energy: -92.342
Base-Backbone interact. energy: -0.928
local terms energy: -113.097806
where:
bonds (distance) C4'-P energy: -21.621
bonds (distance) P-C4' energy: -23.689
flat angles C4'-P-C4' energy: -22.354
flat angles P-C4'-P energy: -18.789
tors. eta vs tors. theta energy: -26.644
Dist. restrs. and SS energy: 1.574 (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: 9
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -354.985913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.985913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.838869 (E_RNA)
where:
Base-Base interactions energy: -249.457
where: short stacking energy: -102.607
Base-Backbone interact. energy: -0.276
local terms energy: -106.106464
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -25.830
flat angles C4'-P-C4' energy: -23.500
flat angles P-C4'-P energy: -16.906
tors. eta vs tors. theta energy: -28.155
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: 4, replica: 8
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -348.795705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.795705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.026990 (E_RNA)
where:
Base-Base interactions energy: -246.160
where: short stacking energy: -102.318
Base-Backbone interact. energy: 1.123
local terms energy: -104.989524
where:
bonds (distance) C4'-P energy: -20.549
bonds (distance) P-C4' energy: -22.302
flat angles C4'-P-C4' energy: -19.345
flat angles P-C4'-P energy: -16.603
tors. eta vs tors. theta energy: -26.191
Dist. restrs. and SS energy: 1.231 (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: 5
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -315.160083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.160083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.187212 (E_RNA)
where:
Base-Base interactions energy: -217.476
where: short stacking energy: -90.835
Base-Backbone interact. energy: -0.700
local terms energy: -98.011140
where:
bonds (distance) C4'-P energy: -18.281
bonds (distance) P-C4' energy: -18.420
flat angles C4'-P-C4' energy: -22.874
flat angles P-C4'-P energy: -16.435
tors. eta vs tors. theta energy: -22.002
Dist. restrs. and SS energy: 1.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -322.831715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.831715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.170558 (E_RNA)
where:
Base-Base interactions energy: -220.176
where: short stacking energy: -90.963
Base-Backbone interact. energy: -1.367
local terms energy: -102.627911
where:
bonds (distance) C4'-P energy: -19.854
bonds (distance) P-C4' energy: -20.481
flat angles C4'-P-C4' energy: -20.211
flat angles P-C4'-P energy: -13.613
tors. eta vs tors. theta energy: -28.468
Dist. restrs. and SS energy: 1.339 (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: 6
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -264.060735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.060735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.961743 (E_RNA)
where:
Base-Base interactions energy: -185.576
where: short stacking energy: -68.271
Base-Backbone interact. energy: 0.259
local terms energy: -83.644984
where:
bonds (distance) C4'-P energy: -23.245
bonds (distance) P-C4' energy: -19.462
flat angles C4'-P-C4' energy: -18.221
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -10.776
Dist. restrs. and SS energy: 4.901 (S_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: 263
Temperature: 1.250000
Total energy: -243.903799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.903799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.773021 (E_RNA)
where:
Base-Base interactions energy: -162.828
where: short stacking energy: -66.628
Base-Backbone interact. energy: -1.219
local terms energy: -82.726051
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -18.039
flat angles C4'-P-C4' energy: -20.894
flat angles P-C4'-P energy: -16.721
tors. eta vs tors. theta energy: -12.634
Dist. restrs. and SS energy: 2.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -236.310407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.310407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.964903 (E_RNA)
where:
Base-Base interactions energy: -166.203
where: short stacking energy: -58.970
Base-Backbone interact. energy: -0.522
local terms energy: -78.240674
where:
bonds (distance) C4'-P energy: -18.757
bonds (distance) P-C4' energy: -20.255
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -4.399
tors. eta vs tors. theta energy: -17.617
Dist. restrs. and SS energy: 8.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -252.854726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.854726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.306845 (E_RNA)
where:
Base-Base interactions energy: -163.492
where: short stacking energy: -65.871
Base-Backbone interact. energy: -0.655
local terms energy: -89.159882
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -18.726
flat angles C4'-P-C4' energy: -22.142
flat angles P-C4'-P energy: -15.258
tors. eta vs tors. theta energy: -19.589
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: 1, replica: 7
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -364.569604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.569604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.413858 (E_RNA)
where:
Base-Base interactions energy: -246.681
where: short stacking energy: -99.970
Base-Backbone interact. energy: -0.960
local terms energy: -117.772071
where:
bonds (distance) C4'-P energy: -22.726
bonds (distance) P-C4' energy: -25.864
flat angles C4'-P-C4' energy: -22.255
flat angles P-C4'-P energy: -19.179
tors. eta vs tors. theta energy: -27.749
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: 2, replica: 4
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -361.161798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.161798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.798652 (E_RNA)
where:
Base-Base interactions energy: -260.169
where: short stacking energy: -91.764
Base-Backbone interact. energy: -1.194
local terms energy: -101.435524
where:
bonds (distance) C4'-P energy: -24.024
bonds (distance) P-C4' energy: -21.209
flat angles C4'-P-C4' energy: -23.114
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -23.621
Dist. restrs. and SS energy: 1.637 (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: 9
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -352.012710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.012710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.101019 (E_RNA)
where:
Base-Base interactions energy: -237.571
where: short stacking energy: -101.724
Base-Backbone interact. energy: -0.385
local terms energy: -115.145710
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -22.133
flat angles C4'-P-C4' energy: -26.978
flat angles P-C4'-P energy: -18.149
tors. eta vs tors. theta energy: -29.063
Dist. restrs. and SS energy: 1.088 (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: 8
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -342.689026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.689026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.268227 (E_RNA)
where:
Base-Base interactions energy: -238.708
where: short stacking energy: -97.027
Base-Backbone interact. energy: -0.543
local terms energy: -104.017529
where:
bonds (distance) C4'-P energy: -23.340
bonds (distance) P-C4' energy: -20.657
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -17.199
tors. eta vs tors. theta energy: -21.528
Dist. restrs. and SS energy: 0.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -355.397085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.397085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.368921 (E_RNA)
where:
Base-Base interactions energy: -238.026
where: short stacking energy: -99.706
Base-Backbone interact. energy: -0.877
local terms energy: -118.465395
where:
bonds (distance) C4'-P energy: -22.837
bonds (distance) P-C4' energy: -25.459
flat angles C4'-P-C4' energy: -23.008
flat angles P-C4'-P energy: -18.558
tors. eta vs tors. theta energy: -28.602
Dist. restrs. and SS energy: 1.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -303.927240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.927240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.568939 (E_RNA)
where:
Base-Base interactions energy: -211.677
where: short stacking energy: -93.290
Base-Backbone interact. energy: 0.877
local terms energy: -94.769510
where:
bonds (distance) C4'-P energy: -20.967
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -16.374
tors. eta vs tors. theta energy: -22.759
Dist. restrs. and SS energy: 1.642 (S_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: 264
Temperature: 1.200000
Total energy: -269.990267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.990267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.029080 (E_RNA)
where:
Base-Base interactions energy: -176.567
where: short stacking energy: -79.203
Base-Backbone interact. energy: -0.246
local terms energy: -93.215884
where:
bonds (distance) C4'-P energy: -18.929
bonds (distance) P-C4' energy: -22.078
flat angles C4'-P-C4' energy: -23.336
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -18.661
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: 6
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -252.566958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.566958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.376533 (E_RNA)
where:
Base-Base interactions energy: -170.503
where: short stacking energy: -69.019
Base-Backbone interact. energy: -0.236
local terms energy: -85.637581
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -18.888
flat angles C4'-P-C4' energy: -23.086
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: -16.421
Dist. restrs. and SS energy: 3.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -240.134301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.134301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.006418 (E_RNA)
where:
Base-Base interactions energy: -162.749
where: short stacking energy: -57.703
Base-Backbone interact. energy: -0.736
local terms energy: -77.521442
where:
bonds (distance) C4'-P energy: -22.446
bonds (distance) P-C4' energy: -15.954
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -8.109
Dist. restrs. and SS energy: 0.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -233.703803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.703803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.426722 (E_RNA)
where:
Base-Base interactions energy: -166.258
where: short stacking energy: -63.775
Base-Backbone interact. energy: -0.199
local terms energy: -67.969638
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -2.605
tors. eta vs tors. theta energy: -15.221
Dist. restrs. and SS energy: 0.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -368.863150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.863150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.788217 (E_RNA)
where:
Base-Base interactions energy: -258.251
where: short stacking energy: -104.261
Base-Backbone interact. energy: -0.507
local terms energy: -111.029762
where:
bonds (distance) C4'-P energy: -21.576
bonds (distance) P-C4' energy: -21.002
flat angles C4'-P-C4' energy: -25.491
flat angles P-C4'-P energy: -16.503
tors. eta vs tors. theta energy: -26.458
Dist. restrs. and SS energy: 0.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -361.033632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.033632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.217274 (E_RNA)
where:
Base-Base interactions energy: -256.361
where: short stacking energy: -98.142
Base-Backbone interact. energy: -0.152
local terms energy: -105.703372
where:
bonds (distance) C4'-P energy: -22.913
bonds (distance) P-C4' energy: -20.561
flat angles C4'-P-C4' energy: -22.825
flat angles P-C4'-P energy: -14.158
tors. eta vs tors. theta energy: -25.246
Dist. restrs. and SS energy: 1.184 (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: 4
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -359.483296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.483296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.223672 (E_RNA)
where:
Base-Base interactions energy: -242.231
where: short stacking energy: -104.742
Base-Backbone interact. energy: -2.051
local terms energy: -115.941415
where:
bonds (distance) C4'-P energy: -18.220
bonds (distance) P-C4' energy: -26.083
flat angles C4'-P-C4' energy: -23.423
flat angles P-C4'-P energy: -19.154
tors. eta vs tors. theta energy: -29.061
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: 4, replica: 1
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -355.864211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.864211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.051946 (E_RNA)
where:
Base-Base interactions energy: -241.374
where: short stacking energy: -97.067
Base-Backbone interact. energy: -0.763
local terms energy: -115.914517
where:
bonds (distance) C4'-P energy: -23.762
bonds (distance) P-C4' energy: -19.945
flat angles C4'-P-C4' energy: -22.144
flat angles P-C4'-P energy: -21.310
tors. eta vs tors. theta energy: -28.753
Dist. restrs. and SS energy: 2.188 (S_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: 265
Temperature: 1.100000
Total energy: -314.662154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.662154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.878370 (E_RNA)
where:
Base-Base interactions energy: -223.824
where: short stacking energy: -90.586
Base-Backbone interact. energy: -0.609
local terms energy: -91.445285
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -17.123
flat angles C4'-P-C4' energy: -20.573
flat angles P-C4'-P energy: -19.527
tors. eta vs tors. theta energy: -21.312
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: 6, replica: 10
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -271.307101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.307101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.070868 (E_RNA)
where:
Base-Base interactions energy: -185.657
where: short stacking energy: -69.029
Base-Backbone interact. energy: -0.563
local terms energy: -85.851596
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -19.812
flat angles C4'-P-C4' energy: -21.371
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -14.921
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: 7, replica: 5
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -289.510455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.510455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.582728 (E_RNA)
where:
Base-Base interactions energy: -203.599
where: short stacking energy: -71.194
Base-Backbone interact. energy: -0.382
local terms energy: -85.601553
where:
bonds (distance) C4'-P energy: -17.137
bonds (distance) P-C4' energy: -22.075
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -19.086
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: 8, replica: 6
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -261.202326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.202326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.753223 (E_RNA)
where:
Base-Base interactions energy: -171.424
where: short stacking energy: -74.820
Base-Backbone interact. energy: -0.201
local terms energy: -94.127836
where:
bonds (distance) C4'-P energy: -22.279
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -20.303
flat angles P-C4'-P energy: -16.784
tors. eta vs tors. theta energy: -19.562
Dist. restrs. and SS energy: 4.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -242.216620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.216620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.376018 (E_RNA)
where:
Base-Base interactions energy: -163.273
where: short stacking energy: -64.605
Base-Backbone interact. energy: -0.410
local terms energy: -80.693115
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -21.127
flat angles C4'-P-C4' energy: -21.043
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -11.465
Dist. restrs. and SS energy: 2.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -229.862825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.862825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.519186 (E_RNA)
where:
Base-Base interactions energy: -161.316
where: short stacking energy: -69.104
Base-Backbone interact. energy: -0.063
local terms energy: -71.140058
where:
bonds (distance) C4'-P energy: -20.086
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -2.772
tors. eta vs tors. theta energy: -15.404
Dist. restrs. and SS energy: 2.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -363.492623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.492623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.490020 (E_RNA)
where:
Base-Base interactions energy: -255.189
where: short stacking energy: -97.883
Base-Backbone interact. energy: -0.661
local terms energy: -108.640193
where:
bonds (distance) C4'-P energy: -18.691
bonds (distance) P-C4' energy: -22.387
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -15.858
tors. eta vs tors. theta energy: -26.740
Dist. restrs. and SS energy: 0.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -357.186892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.186892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.827017 (E_RNA)
where:
Base-Base interactions energy: -260.656
where: short stacking energy: -103.336
Base-Backbone interact. energy: -0.553
local terms energy: -96.618328
where:
bonds (distance) C4'-P energy: -21.550
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -17.747
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -26.883
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: 3, replica: 1
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -346.660154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.660154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.236398 (E_RNA)
where:
Base-Base interactions energy: -243.406
where: short stacking energy: -90.255
Base-Backbone interact. energy: -0.743
local terms energy: -103.087764
where:
bonds (distance) C4'-P energy: -25.100
bonds (distance) P-C4' energy: -21.336
flat angles C4'-P-C4' energy: -21.148
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -25.234
Dist. restrs. and SS energy: 0.576 (S_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: 266
Temperature: 1.050000
Total energy: -353.330101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.330101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.369705 (E_RNA)
where:
Base-Base interactions energy: -241.796
where: short stacking energy: -98.519
Base-Backbone interact. energy: -0.265
local terms energy: -112.308644
where:
bonds (distance) C4'-P energy: -19.962
bonds (distance) P-C4' energy: -19.304
flat angles C4'-P-C4' energy: -25.893
flat angles P-C4'-P energy: -17.975
tors. eta vs tors. theta energy: -29.175
Dist. restrs. and SS energy: 1.040 (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: 8
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -326.379508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.379508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.092324 (E_RNA)
where:
Base-Base interactions energy: -228.614
where: short stacking energy: -89.882
Base-Backbone interact. energy: -0.449
local terms energy: -98.028613
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -22.484
flat angles C4'-P-C4' energy: -22.204
flat angles P-C4'-P energy: -12.010
tors. eta vs tors. theta energy: -25.024
Dist. restrs. and SS energy: 0.713 (S_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: 266
Temperature: 1.150000
Total energy: -269.393132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.393132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.878988 (E_RNA)
where:
Base-Base interactions energy: -185.227
where: short stacking energy: -78.084
Base-Backbone interact. energy: 0.736
local terms energy: -86.388234
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -16.351
flat angles C4'-P-C4' energy: -22.553
flat angles P-C4'-P energy: -13.961
tors. eta vs tors. theta energy: -17.552
Dist. restrs. and SS energy: 1.486 (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: 6
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -260.029333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.029333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.017402 (E_RNA)
where:
Base-Base interactions energy: -174.502
where: short stacking energy: -78.349
Base-Backbone interact. energy: -0.125
local terms energy: -88.389715
where:
bonds (distance) C4'-P energy: -18.541
bonds (distance) P-C4' energy: -15.608
flat angles C4'-P-C4' energy: -24.301
flat angles P-C4'-P energy: -14.905
tors. eta vs tors. theta energy: -15.034
Dist. restrs. and SS energy: 2.988 (S_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: 266
Temperature: 1.250000
Total energy: -255.380721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.380721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.063100 (E_RNA)
where:
Base-Base interactions energy: -184.140
where: short stacking energy: -72.088
Base-Backbone interact. energy: -1.148
local terms energy: -70.774700
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -9.286
flat angles C4'-P-C4' energy: -20.140
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -14.563
Dist. restrs. and SS energy: 0.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -221.401907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.401907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.889657 (E_RNA)
where:
Base-Base interactions energy: -147.744
where: short stacking energy: -62.777
Base-Backbone interact. energy: 0.411
local terms energy: -79.556813
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -24.904
flat angles C4'-P-C4' energy: -19.894
flat angles P-C4'-P energy: -12.280
tors. eta vs tors. theta energy: -6.029
Dist. restrs. and SS energy: 5.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -248.561762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.561762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.375404 (E_RNA)
where:
Base-Base interactions energy: -156.213
where: short stacking energy: -56.841
Base-Backbone interact. energy: -0.233
local terms energy: -92.928967
where:
bonds (distance) C4'-P energy: -23.937
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -19.662
flat angles P-C4'-P energy: -17.662
tors. eta vs tors. theta energy: -13.796
Dist. restrs. and SS energy: 0.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -369.910596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.910596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.836085 (E_RNA)
where:
Base-Base interactions energy: -256.616
where: short stacking energy: -101.713
Base-Backbone interact. energy: -0.320
local terms energy: -114.899745
where:
bonds (distance) C4'-P energy: -17.143
bonds (distance) P-C4' energy: -26.618
flat angles C4'-P-C4' energy: -25.986
flat angles P-C4'-P energy: -16.772
tors. eta vs tors. theta energy: -28.381
Dist. restrs. and SS energy: 1.925 (S_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: 267
Temperature: 0.950000
Total energy: -358.070773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.070773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.233977 (E_RNA)
where:
Base-Base interactions energy: -249.418
where: short stacking energy: -95.202
Base-Backbone interact. energy: -0.732
local terms energy: -109.083842
where:
bonds (distance) C4'-P energy: -21.544
bonds (distance) P-C4' energy: -24.011
flat angles C4'-P-C4' energy: -22.676
flat angles P-C4'-P energy: -14.943
tors. eta vs tors. theta energy: -25.910
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: 3, replica: 9
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -356.276163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.276163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.243217 (E_RNA)
where:
Base-Base interactions energy: -238.737
where: short stacking energy: -95.946
Base-Backbone interact. energy: -0.379
local terms energy: -118.126877
where:
bonds (distance) C4'-P energy: -22.859
bonds (distance) P-C4' energy: -19.147
flat angles C4'-P-C4' energy: -27.491
flat angles P-C4'-P energy: -19.621
tors. eta vs tors. theta energy: -29.009
Dist. restrs. and SS energy: 0.967 (S_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: 267
Temperature: 1.050000
Total energy: -345.937387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.937387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.121368 (E_RNA)
where:
Base-Base interactions energy: -248.942
where: short stacking energy: -95.815
Base-Backbone interact. energy: -0.575
local terms energy: -98.603679
where:
bonds (distance) C4'-P energy: -18.720
bonds (distance) P-C4' energy: -22.230
flat angles C4'-P-C4' energy: -21.492
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -25.471
Dist. restrs. and SS energy: 2.184 (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: 8
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -339.441438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.441438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.126542 (E_RNA)
where:
Base-Base interactions energy: -246.826
where: short stacking energy: -100.319
Base-Backbone interact. energy: -0.465
local terms energy: -92.834569
where:
bonds (distance) C4'-P energy: -17.875
bonds (distance) P-C4' energy: -14.929
flat angles C4'-P-C4' energy: -24.471
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -23.745
Dist. restrs. and SS energy: 0.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -272.705392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.705392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.593637 (E_RNA)
where:
Base-Base interactions energy: -176.979
where: short stacking energy: -81.882
Base-Backbone interact. energy: -1.247
local terms energy: -96.367432
where:
bonds (distance) C4'-P energy: -19.089
bonds (distance) P-C4' energy: -20.202
flat angles C4'-P-C4' energy: -21.065
flat angles P-C4'-P energy: -15.662
tors. eta vs tors. theta energy: -20.349
Dist. restrs. and SS energy: 1.888 (S_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: 267
Temperature: 1.200000
Total energy: -265.433329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.433329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.945910 (E_RNA)
where:
Base-Base interactions energy: -174.708
where: short stacking energy: -65.962
Base-Backbone interact. energy: -0.896
local terms energy: -92.341741
where:
bonds (distance) C4'-P energy: -19.308
bonds (distance) P-C4' energy: -19.218
flat angles C4'-P-C4' energy: -19.360
flat angles P-C4'-P energy: -15.117
tors. eta vs tors. theta energy: -19.339
Dist. restrs. and SS energy: 2.513 (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: 5
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -244.452433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.452433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.886638 (E_RNA)
where:
Base-Base interactions energy: -155.207
where: short stacking energy: -62.467
Base-Backbone interact. energy: 1.012
local terms energy: -91.691456
where:
bonds (distance) C4'-P energy: -23.725
bonds (distance) P-C4' energy: -20.292
flat angles C4'-P-C4' energy: -20.644
flat angles P-C4'-P energy: -14.369
tors. eta vs tors. theta energy: -12.661
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: 9, replica: 3
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -236.397592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.397592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.838597 (E_RNA)
where:
Base-Base interactions energy: -157.302
where: short stacking energy: -65.521
Base-Backbone interact. energy: 1.189
local terms energy: -80.724943
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -17.620
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -15.905
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: 10, replica: 2
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -250.147944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.147944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.239709 (E_RNA)
where:
Base-Base interactions energy: -174.674
where: short stacking energy: -66.585
Base-Backbone interact. energy: -0.490
local terms energy: -76.075846
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -17.740
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -15.780
Dist. restrs. and SS energy: 1.092 (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: 7
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -373.628643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.628643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.568807 (E_RNA)
where:
Base-Base interactions energy: -266.041
where: short stacking energy: -100.682
Base-Backbone interact. energy: 0.112
local terms energy: -109.639661
where:
bonds (distance) C4'-P energy: -20.714
bonds (distance) P-C4' energy: -24.000
flat angles C4'-P-C4' energy: -22.079
flat angles P-C4'-P energy: -13.625
tors. eta vs tors. theta energy: -29.222
Dist. restrs. and SS energy: 1.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -369.551313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.551313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.279953 (E_RNA)
where:
Base-Base interactions energy: -259.463
where: short stacking energy: -106.268
Base-Backbone interact. energy: -1.008
local terms energy: -110.809324
where:
bonds (distance) C4'-P energy: -19.382
bonds (distance) P-C4' energy: -24.555
flat angles C4'-P-C4' energy: -22.076
flat angles P-C4'-P energy: -14.856
tors. eta vs tors. theta energy: -29.940
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: 3, replica: 9
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -354.921812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.921812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.117311 (E_RNA)
where:
Base-Base interactions energy: -243.874
where: short stacking energy: -100.768
Base-Backbone interact. energy: 1.404
local terms energy: -112.647185
where:
bonds (distance) C4'-P energy: -20.256
bonds (distance) P-C4' energy: -25.290
flat angles C4'-P-C4' energy: -19.217
flat angles P-C4'-P energy: -19.959
tors. eta vs tors. theta energy: -27.925
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: 4, replica: 4
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -349.427673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.427673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.151240 (E_RNA)
where:
Base-Base interactions energy: -245.558
where: short stacking energy: -94.400
Base-Backbone interact. energy: 1.639
local terms energy: -107.232535
where:
bonds (distance) C4'-P energy: -21.035
bonds (distance) P-C4' energy: -23.518
flat angles C4'-P-C4' energy: -19.392
flat angles P-C4'-P energy: -14.542
tors. eta vs tors. theta energy: -28.746
Dist. restrs. and SS energy: 1.724 (S_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: 268
Temperature: 1.100000
Total energy: -319.101145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.101145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.886093 (E_RNA)
where:
Base-Base interactions energy: -226.045
where: short stacking energy: -82.438
Base-Backbone interact. energy: -0.916
local terms energy: -93.925014
where:
bonds (distance) C4'-P energy: -19.710
bonds (distance) P-C4' energy: -18.761
flat angles C4'-P-C4' energy: -21.662
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -24.762
Dist. restrs. and SS energy: 1.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -270.735263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.735263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.145777 (E_RNA)
where:
Base-Base interactions energy: -180.122
where: short stacking energy: -85.905
Base-Backbone interact. energy: -0.811
local terms energy: -95.212870
where:
bonds (distance) C4'-P energy: -24.321
bonds (distance) P-C4' energy: -21.145
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -21.742
Dist. restrs. and SS energy: 5.411 (S_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: 268
Temperature: 1.200000
Total energy: -270.409117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.409117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.506930 (E_RNA)
where:
Base-Base interactions energy: -190.327
where: short stacking energy: -66.458
Base-Backbone interact. energy: -0.092
local terms energy: -80.088559
where:
bonds (distance) C4'-P energy: -19.338
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -20.890
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: -10.568
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: 5
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -252.575303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.575303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.744452 (E_RNA)
where:
Base-Base interactions energy: -171.075
where: short stacking energy: -72.902
Base-Backbone interact. energy: 1.194
local terms energy: -89.863128
where:
bonds (distance) C4'-P energy: -19.753
bonds (distance) P-C4' energy: -12.270
flat angles C4'-P-C4' energy: -22.296
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -24.129
Dist. restrs. and SS energy: 7.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -226.179559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.179559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.951352 (E_RNA)
where:
Base-Base interactions energy: -152.312
where: short stacking energy: -58.409
Base-Backbone interact. energy: 0.027
local terms energy: -76.666611
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -18.851
flat angles P-C4'-P energy: -16.355
tors. eta vs tors. theta energy: -12.380
Dist. restrs. and SS energy: 2.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -219.312959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.312959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.361489 (E_RNA)
where:
Base-Base interactions energy: -149.186
where: short stacking energy: -63.765
Base-Backbone interact. energy: -0.196
local terms energy: -73.979781
where:
bonds (distance) C4'-P energy: -20.301
bonds (distance) P-C4' energy: -21.251
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -4.544
tors. eta vs tors. theta energy: -11.194
Dist. restrs. and SS energy: 4.049 (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: 7
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -369.229209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.229209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.069175 (E_RNA)
where:
Base-Base interactions energy: -257.857
where: short stacking energy: -95.548
Base-Backbone interact. energy: -0.480
local terms energy: -112.732069
where:
bonds (distance) C4'-P energy: -21.304
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -26.310
flat angles P-C4'-P energy: -18.680
tors. eta vs tors. theta energy: -27.605
Dist. restrs. and SS energy: 1.840 (S_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: 269
Temperature: 0.950000
Total energy: -364.437269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.437269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.976488 (E_RNA)
where:
Base-Base interactions energy: -245.723
where: short stacking energy: -93.327
Base-Backbone interact. energy: -1.172
local terms energy: -118.081420
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -26.765
flat angles C4'-P-C4' energy: -24.967
flat angles P-C4'-P energy: -16.801
tors. eta vs tors. theta energy: -32.607
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: 1
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -350.532736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.532736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.128518 (E_RNA)
where:
Base-Base interactions energy: -243.077
where: short stacking energy: -96.009
Base-Backbone interact. energy: -1.747
local terms energy: -107.305098
where:
bonds (distance) C4'-P energy: -23.994
bonds (distance) P-C4' energy: -24.865
flat angles C4'-P-C4' energy: -21.196
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -24.197
Dist. restrs. and SS energy: 1.596 (S_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: 269
Temperature: 1.050000
Total energy: -343.419991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.419991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.708710 (E_RNA)
where:
Base-Base interactions energy: -244.269
where: short stacking energy: -93.602
Base-Backbone interact. energy: -0.504
local terms energy: -99.934768
where:
bonds (distance) C4'-P energy: -17.101
bonds (distance) P-C4' energy: -22.708
flat angles C4'-P-C4' energy: -21.228
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -29.335
Dist. restrs. and SS energy: 1.289 (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: 8
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -310.070885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.070885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.284073 (E_RNA)
where:
Base-Base interactions energy: -219.607
where: short stacking energy: -94.839
Base-Backbone interact. energy: -0.324
local terms energy: -90.353394
where:
bonds (distance) C4'-P energy: -18.586
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -20.233
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -21.413
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: 6, replica: 10
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -281.638510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.638510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.324055 (E_RNA)
where:
Base-Base interactions energy: -184.800
where: short stacking energy: -79.748
Base-Backbone interact. energy: -0.378
local terms energy: -97.146091
where:
bonds (distance) C4'-P energy: -22.263
bonds (distance) P-C4' energy: -19.825
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -16.557
tors. eta vs tors. theta energy: -21.057
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: 7, replica: 6
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -257.830819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.830819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.275103 (E_RNA)
where:
Base-Base interactions energy: -181.554
where: short stacking energy: -68.528
Base-Backbone interact. energy: -1.013
local terms energy: -76.707621
where:
bonds (distance) C4'-P energy: -21.647
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -18.511
flat angles P-C4'-P energy: -14.495
tors. eta vs tors. theta energy: -7.489
Dist. restrs. and SS energy: 1.444 (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: 3
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -238.586509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.586509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.872698 (E_RNA)
where:
Base-Base interactions energy: -147.931
where: short stacking energy: -59.992
Base-Backbone interact. energy: 1.923
local terms energy: -92.864220
where:
bonds (distance) C4'-P energy: -23.186
bonds (distance) P-C4' energy: -22.032
flat angles C4'-P-C4' energy: -21.494
flat angles P-C4'-P energy: -16.925
tors. eta vs tors. theta energy: -9.227
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: 9, replica: 5
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -250.844617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.844617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.890323 (E_RNA)
where:
Base-Base interactions energy: -164.669
where: short stacking energy: -64.343
Base-Backbone interact. energy: -0.417
local terms energy: -87.804631
where:
bonds (distance) C4'-P energy: -19.849
bonds (distance) P-C4' energy: -21.020
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -15.031
tors. eta vs tors. theta energy: -14.358
Dist. restrs. and SS energy: 2.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -230.944505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.944505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.855159 (E_RNA)
where:
Base-Base interactions energy: -159.597
where: short stacking energy: -46.782
Base-Backbone interact. energy: 0.440
local terms energy: -78.697746
where:
bonds (distance) C4'-P energy: -22.462
bonds (distance) P-C4' energy: -18.682
flat angles C4'-P-C4' energy: -18.504
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -8.899
Dist. restrs. and SS energy: 6.911 (S_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: 270
Temperature: 0.900000
Total energy: -371.305171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.305171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.030222 (E_RNA)
where:
Base-Base interactions energy: -260.275
where: short stacking energy: -97.924
Base-Backbone interact. energy: -0.688
local terms energy: -111.067393
where:
bonds (distance) C4'-P energy: -19.270
bonds (distance) P-C4' energy: -23.765
flat angles C4'-P-C4' energy: -19.328
flat angles P-C4'-P energy: -18.330
tors. eta vs tors. theta energy: -30.375
Dist. restrs. and SS energy: 0.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -366.374526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.374526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.645595 (E_RNA)
where:
Base-Base interactions energy: -254.991
where: short stacking energy: -104.128
Base-Backbone interact. energy: -1.387
local terms energy: -111.268259
where:
bonds (distance) C4'-P energy: -20.694
bonds (distance) P-C4' energy: -20.225
flat angles C4'-P-C4' energy: -20.382
flat angles P-C4'-P energy: -17.678
tors. eta vs tors. theta energy: -32.289
Dist. restrs. and SS energy: 1.271 (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: 4
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -352.376146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.376146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.746903 (E_RNA)
where:
Base-Base interactions energy: -253.888
where: short stacking energy: -86.903
Base-Backbone interact. energy: -0.558
local terms energy: -98.300959
where:
bonds (distance) C4'-P energy: -23.229
bonds (distance) P-C4' energy: -19.925
flat angles C4'-P-C4' energy: -22.472
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -22.642
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: 4, replica: 1
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -347.947197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.947197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.504574 (E_RNA)
where:
Base-Base interactions energy: -248.376
where: short stacking energy: -98.598
Base-Backbone interact. energy: -1.289
local terms energy: -99.839769
where:
bonds (distance) C4'-P energy: -19.097
bonds (distance) P-C4' energy: -21.618
flat angles C4'-P-C4' energy: -21.252
flat angles P-C4'-P energy: -15.718
tors. eta vs tors. theta energy: -22.154
Dist. restrs. and SS energy: 1.557 (S_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: 270
Temperature: 1.100000
Total energy: -318.397103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.397103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.131280 (E_RNA)
where:
Base-Base interactions energy: -222.009
where: short stacking energy: -78.387
Base-Backbone interact. energy: -0.573
local terms energy: -96.548427
where:
bonds (distance) C4'-P energy: -20.666
bonds (distance) P-C4' energy: -21.058
flat angles C4'-P-C4' energy: -22.084
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -25.351
Dist. restrs. and SS energy: 0.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -274.568223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.568223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.522977 (E_RNA)
where:
Base-Base interactions energy: -178.286
where: short stacking energy: -68.498
Base-Backbone interact. energy: 0.529
local terms energy: -97.766046
where:
bonds (distance) C4'-P energy: -19.324
bonds (distance) P-C4' energy: -27.145
flat angles C4'-P-C4' energy: -20.276
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -19.353
Dist. restrs. and SS energy: 0.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -263.275281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.275281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.341942 (E_RNA)
where:
Base-Base interactions energy: -180.495
where: short stacking energy: -79.017
Base-Backbone interact. energy: -0.437
local terms energy: -88.410382
where:
bonds (distance) C4'-P energy: -23.341
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -20.111
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -20.888
Dist. restrs. and SS energy: 6.067 (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: 6
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -251.083445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.083445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.799353 (E_RNA)
where:
Base-Base interactions energy: -174.140
where: short stacking energy: -72.347
Base-Backbone interact. energy: 1.328
local terms energy: -80.987201
where:
bonds (distance) C4'-P energy: -12.146
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -20.918
flat angles P-C4'-P energy: -15.175
tors. eta vs tors. theta energy: -18.519
Dist. restrs. and SS energy: 2.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -253.879925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.879925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.384099 (E_RNA)
where:
Base-Base interactions energy: -182.942
where: short stacking energy: -74.595
Base-Backbone interact. energy: 0.624
local terms energy: -72.066759
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -21.295
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -13.496
Dist. restrs. and SS energy: 0.504 (S_DIST_RNA)
chem. 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: -244.337039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.337039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.938483 (E_RNA)
where:
Base-Base interactions energy: -175.633
where: short stacking energy: -63.372
Base-Backbone interact. energy: -0.106
local terms energy: -70.199444
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -21.865
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: -11.270
Dist. restrs. and SS energy: 1.601 (S_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: 271
Temperature: 0.900000
Total energy: -371.805797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.805797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.486721 (E_RNA)
where:
Base-Base interactions energy: -256.962
where: short stacking energy: -102.642
Base-Backbone interact. energy: -0.182
local terms energy: -115.342888
where:
bonds (distance) C4'-P energy: -22.135
bonds (distance) P-C4' energy: -23.782
flat angles C4'-P-C4' energy: -23.761
flat angles P-C4'-P energy: -16.619
tors. eta vs tors. theta energy: -29.045
Dist. restrs. and SS energy: 0.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -363.157908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.157908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.926184 (E_RNA)
where:
Base-Base interactions energy: -248.949
where: short stacking energy: -92.433
Base-Backbone interact. energy: -1.372
local terms energy: -114.605233
where:
bonds (distance) C4'-P energy: -19.937
bonds (distance) P-C4' energy: -26.225
flat angles C4'-P-C4' energy: -25.318
flat angles P-C4'-P energy: -17.211
tors. eta vs tors. theta energy: -25.914
Dist. restrs. and SS energy: 1.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -350.480723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.480723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.554420 (E_RNA)
where:
Base-Base interactions energy: -242.105
where: short stacking energy: -95.614
Base-Backbone interact. energy: -0.789
local terms energy: -108.659725
where:
bonds (distance) C4'-P energy: -25.052
bonds (distance) P-C4' energy: -17.887
flat angles C4'-P-C4' energy: -24.329
flat angles P-C4'-P energy: -13.080
tors. eta vs tors. theta energy: -28.312
Dist. restrs. and SS energy: 1.074 (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: 8
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -329.584500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.584500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.096580 (E_RNA)
where:
Base-Base interactions energy: -237.455
where: short stacking energy: -78.879
Base-Backbone interact. energy: -0.590
local terms energy: -92.051669
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -21.033
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -15.650
tors. eta vs tors. theta energy: -24.492
Dist. restrs. and SS energy: 0.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -315.966106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.966106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.232801 (E_RNA)
where:
Base-Base interactions energy: -234.232
where: short stacking energy: -85.219
Base-Backbone interact. energy: 1.617
local terms energy: -83.618132
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -21.042
flat angles P-C4'-P energy: -16.560
tors. eta vs tors. theta energy: -20.627
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: 3
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -280.019537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.019537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.223349 (E_RNA)
where:
Base-Base interactions energy: -186.403
where: short stacking energy: -78.939
Base-Backbone interact. energy: -0.302
local terms energy: -98.518787
where:
bonds (distance) C4'-P energy: -23.186
bonds (distance) P-C4' energy: -25.541
flat angles C4'-P-C4' energy: -18.543
flat angles P-C4'-P energy: -13.600
tors. eta vs tors. theta energy: -17.649
Dist. restrs. and SS energy: 5.204 (S_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: 271
Temperature: 1.200000
Total energy: -291.697174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.697174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.487321 (E_RNA)
where:
Base-Base interactions energy: -197.899
where: short stacking energy: -76.824
Base-Backbone interact. energy: -0.062
local terms energy: -94.525965
where:
bonds (distance) C4'-P energy: -22.359
bonds (distance) P-C4' energy: -21.405
flat angles C4'-P-C4' energy: -19.773
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -20.440
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: 8, replica: 2
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -255.132219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.132219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.190092 (E_RNA)
where:
Base-Base interactions energy: -173.563
where: short stacking energy: -69.461
Base-Backbone interact. energy: 0.397
local terms energy: -86.024138
where:
bonds (distance) C4'-P energy: -21.135
bonds (distance) P-C4' energy: -13.583
flat angles C4'-P-C4' energy: -22.310
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -18.882
Dist. restrs. and SS energy: 4.058 (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: 6
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -245.319832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.319832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.705374 (E_RNA)
where:
Base-Base interactions energy: -165.910
where: short stacking energy: -60.623
Base-Backbone interact. energy: -0.035
local terms energy: -84.759781
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -24.856
flat angles C4'-P-C4' energy: -19.606
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -12.985
Dist. restrs. and SS energy: 5.386 (S_DIST_RNA)
chem. 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: -228.918516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.918516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.192309 (E_RNA)
where:
Base-Base interactions energy: -155.188
where: short stacking energy: -69.862
Base-Backbone interact. energy: -0.522
local terms energy: -78.481945
where:
bonds (distance) C4'-P energy: -8.654
bonds (distance) P-C4' energy: -22.720
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -17.574
tors. eta vs tors. theta energy: -13.229
Dist. restrs. and SS energy: 5.274 (S_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: 272
Temperature: 0.900000
Total energy: -372.676992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.676992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.261028 (E_RNA)
where:
Base-Base interactions energy: -258.146
where: short stacking energy: -98.661
Base-Backbone interact. energy: -0.664
local terms energy: -115.451556
where:
bonds (distance) C4'-P energy: -21.203
bonds (distance) P-C4' energy: -23.758
flat angles C4'-P-C4' energy: -20.919
flat angles P-C4'-P energy: -18.412
tors. eta vs tors. theta energy: -31.160
Dist. restrs. and SS energy: 1.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -361.509626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.509626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.464359 (E_RNA)
where:
Base-Base interactions energy: -243.369
where: short stacking energy: -99.393
Base-Backbone interact. energy: -1.115
local terms energy: -117.981058
where:
bonds (distance) C4'-P energy: -25.546
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -25.431
flat angles P-C4'-P energy: -20.002
tors. eta vs tors. theta energy: -30.206
Dist. restrs. and SS energy: 0.955 (S_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: 272
Temperature: 1.000000
Total energy: -346.702008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.702008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.175656 (E_RNA)
where:
Base-Base interactions energy: -237.176
where: short stacking energy: -91.342
Base-Backbone interact. energy: -0.782
local terms energy: -110.217948
where:
bonds (distance) C4'-P energy: -19.278
bonds (distance) P-C4' energy: -22.734
flat angles C4'-P-C4' energy: -24.500
flat angles P-C4'-P energy: -19.338
tors. eta vs tors. theta energy: -24.368
Dist. restrs. and SS energy: 1.474 (S_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: 272
Temperature: 1.050000
Total energy: -349.355547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.355547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.881348 (E_RNA)
where:
Base-Base interactions energy: -236.197
where: short stacking energy: -96.361
Base-Backbone interact. energy: -0.702
local terms energy: -113.981974
where:
bonds (distance) C4'-P energy: -22.239
bonds (distance) P-C4' energy: -23.582
flat angles C4'-P-C4' energy: -23.677
flat angles P-C4'-P energy: -15.171
tors. eta vs tors. theta energy: -29.313
Dist. restrs. and SS energy: 1.526 (S_DIST_RNA)
chem. 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: -333.317232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.317232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.797181 (E_RNA)
where:
Base-Base interactions energy: -245.076
where: short stacking energy: -89.166
Base-Backbone interact. energy: -0.970
local terms energy: -88.751211
where:
bonds (distance) C4'-P energy: -17.330
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -17.956
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -22.768
Dist. restrs. and SS energy: 1.480 (S_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: -281.400244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.400244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.251832 (E_RNA)
where:
Base-Base interactions energy: -178.608
where: short stacking energy: -73.317
Base-Backbone interact. energy: 1.887
local terms energy: -109.531114
where:
bonds (distance) C4'-P energy: -20.517
bonds (distance) P-C4' energy: -25.476
flat angles C4'-P-C4' energy: -25.292
flat angles P-C4'-P energy: -20.650
tors. eta vs tors. theta energy: -17.595
Dist. restrs. and SS energy: 4.852 (S_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: 272
Temperature: 1.200000
Total energy: -279.739781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.739781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.135865 (E_RNA)
where:
Base-Base interactions energy: -192.636
where: short stacking energy: -75.259
Base-Backbone interact. energy: -1.349
local terms energy: -87.151226
where:
bonds (distance) C4'-P energy: -16.903
bonds (distance) P-C4' energy: -25.624
flat angles C4'-P-C4' energy: -9.412
flat angles P-C4'-P energy: -15.647
tors. eta vs tors. theta energy: -19.565
Dist. restrs. and SS energy: 1.396 (S_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: -288.636643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.636643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.159930 (E_RNA)
where:
Base-Base interactions energy: -198.498
where: short stacking energy: -78.029
Base-Backbone interact. energy: -0.794
local terms energy: -91.867552
where:
bonds (distance) C4'-P energy: -16.427
bonds (distance) P-C4' energy: -19.257
flat angles C4'-P-C4' energy: -22.381
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -22.157
Dist. restrs. and SS energy: 2.523 (S_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: -234.034127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.034127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.316105 (E_RNA)
where:
Base-Base interactions energy: -160.497
where: short stacking energy: -50.491
Base-Backbone interact. energy: -1.210
local terms energy: -72.609528
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -25.309
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -10.118
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: 10, replica: 6
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -242.250205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.250205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.134105 (E_RNA)
where:
Base-Base interactions energy: -167.441
where: short stacking energy: -62.646
Base-Backbone interact. energy: -0.238
local terms energy: -78.455337
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -21.713
flat angles P-C4'-P energy: -13.608
tors. eta vs tors. theta energy: -14.230
Dist. restrs. and SS energy: 3.884 (S_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: 273
Temperature: 0.900000
Total energy: -371.176851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.176851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.826684 (E_RNA)
where:
Base-Base interactions energy: -254.867
where: short stacking energy: -97.505
Base-Backbone interact. energy: -0.865
local terms energy: -117.095209
where:
bonds (distance) C4'-P energy: -22.205
bonds (distance) P-C4' energy: -24.404
flat angles C4'-P-C4' energy: -22.142
flat angles P-C4'-P energy: -18.614
tors. eta vs tors. theta energy: -29.730
Dist. restrs. and SS energy: 1.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -361.137332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.137332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.345682 (E_RNA)
where:
Base-Base interactions energy: -248.816
where: short stacking energy: -94.640
Base-Backbone interact. energy: -0.512
local terms energy: -113.016849
where:
bonds (distance) C4'-P energy: -22.285
bonds (distance) P-C4' energy: -24.493
flat angles C4'-P-C4' energy: -19.367
flat angles P-C4'-P energy: -20.839
tors. eta vs tors. theta energy: -26.032
Dist. restrs. and SS energy: 1.208 (S_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: -351.865169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.865169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.339060 (E_RNA)
where:
Base-Base interactions energy: -247.415
where: short stacking energy: -94.312
Base-Backbone interact. energy: -0.914
local terms energy: -105.010019
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -22.309
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -14.794
tors. eta vs tors. theta energy: -32.122
Dist. restrs. and SS energy: 1.474 (S_DIST_RNA)
chem. 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: -334.268990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.268990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.161221 (E_RNA)
where:
Base-Base interactions energy: -228.760
where: short stacking energy: -91.562
Base-Backbone interact. energy: -0.146
local terms energy: -106.255035
where:
bonds (distance) C4'-P energy: -23.179
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -22.503
flat angles P-C4'-P energy: -16.671
tors. eta vs tors. theta energy: -25.299
Dist. restrs. and SS energy: 0.892 (S_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: 273
Temperature: 1.100000
Total energy: -340.866036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.866036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.316698 (E_RNA)
where:
Base-Base interactions energy: -246.468
where: short stacking energy: -97.530
Base-Backbone interact. energy: -0.050
local terms energy: -95.798829
where:
bonds (distance) C4'-P energy: -19.085
bonds (distance) P-C4' energy: -18.699
flat angles C4'-P-C4' energy: -22.239
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -25.966
Dist. restrs. and SS energy: 1.451 (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: 2
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -275.969335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.969335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.129207 (E_RNA)
where:
Base-Base interactions energy: -187.292
where: short stacking energy: -80.119
Base-Backbone interact. energy: -0.438
local terms energy: -88.399334
where:
bonds (distance) C4'-P energy: -19.477
bonds (distance) P-C4' energy: -21.481
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -19.067
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: 7, replica: 3
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -245.836846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.836846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.356953 (E_RNA)
where:
Base-Base interactions energy: -167.634
where: short stacking energy: -74.160
Base-Backbone interact. energy: -0.827
local terms energy: -84.895875
where:
bonds (distance) C4'-P energy: -21.699
bonds (distance) P-C4' energy: -22.540
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -16.659
Dist. restrs. and SS energy: 7.520 (S_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: 273
Temperature: 1.250000
Total energy: -283.659161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.659161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.098475 (E_RNA)
where:
Base-Base interactions energy: -209.113
where: short stacking energy: -84.011
Base-Backbone interact. energy: 4.161
local terms energy: -80.145819
where:
bonds (distance) C4'-P energy: -19.738
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -18.220
Dist. restrs. and SS energy: 1.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -221.318095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.318095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.145005 (E_RNA)
where:
Base-Base interactions energy: -155.601
where: short stacking energy: -61.147
Base-Backbone interact. energy: 0.140
local terms energy: -75.684258
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -21.824
flat angles C4'-P-C4' energy: -21.115
flat angles P-C4'-P energy: -6.577
tors. eta vs tors. theta energy: -7.999
Dist. restrs. and SS energy: 9.827 (S_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: 273
Temperature: 1.350000
Total energy: -203.288863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.288863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.190543 (E_RNA)
where:
Base-Base interactions energy: -130.801
where: short stacking energy: -47.054
Base-Backbone interact. energy: -0.409
local terms energy: -74.979876
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -17.913
flat angles P-C4'-P energy: -14.060
tors. eta vs tors. theta energy: -11.075
Dist. restrs. and SS energy: 2.902 (S_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: 274
Temperature: 0.900000
Total energy: -362.402074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.402074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.409229 (E_RNA)
where:
Base-Base interactions energy: -247.612
where: short stacking energy: -98.772
Base-Backbone interact. energy: -0.605
local terms energy: -116.191831
where:
bonds (distance) C4'-P energy: -23.935
bonds (distance) P-C4' energy: -21.521
flat angles C4'-P-C4' energy: -22.765
flat angles P-C4'-P energy: -18.141
tors. eta vs tors. theta energy: -29.830
Dist. restrs. and SS energy: 2.007 (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: 8
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -356.727678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.727678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.154336 (E_RNA)
where:
Base-Base interactions energy: -241.304
where: short stacking energy: -94.495
Base-Backbone interact. energy: -0.814
local terms energy: -115.037327
where:
bonds (distance) C4'-P energy: -24.284
bonds (distance) P-C4' energy: -22.199
flat angles C4'-P-C4' energy: -26.756
flat angles P-C4'-P energy: -16.998
tors. eta vs tors. theta energy: -24.800
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: 3, replica: 1
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -339.720102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.720102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.414067 (E_RNA)
where:
Base-Base interactions energy: -238.988
where: short stacking energy: -92.143
Base-Backbone interact. energy: -0.632
local terms energy: -100.794097
where:
bonds (distance) C4'-P energy: -20.221
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -20.268
flat angles P-C4'-P energy: -19.046
tors. eta vs tors. theta energy: -23.739
Dist. restrs. and SS energy: 0.694 (S_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: 274
Temperature: 1.050000
Total energy: -343.695671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.695671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.224997 (E_RNA)
where:
Base-Base interactions energy: -237.269
where: short stacking energy: -90.746
Base-Backbone interact. energy: -0.943
local terms energy: -106.012897
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -19.865
flat angles C4'-P-C4' energy: -25.662
flat angles P-C4'-P energy: -14.106
tors. eta vs tors. theta energy: -28.198
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: 5, replica: 7
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -346.792935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.792935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.311069 (E_RNA)
where:
Base-Base interactions energy: -240.198
where: short stacking energy: -94.633
Base-Backbone interact. energy: -1.329
local terms energy: -105.784473
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -21.922
flat angles C4'-P-C4' energy: -21.637
flat angles P-C4'-P energy: -15.364
tors. eta vs tors. theta energy: -32.812
Dist. restrs. and SS energy: 0.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -281.590052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.590052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.340715 (E_RNA)
where:
Base-Base interactions energy: -187.513
where: short stacking energy: -73.336
Base-Backbone interact. energy: -0.605
local terms energy: -95.222627
where:
bonds (distance) C4'-P energy: -18.951
bonds (distance) P-C4' energy: -23.429
flat angles C4'-P-C4' energy: -22.111
flat angles P-C4'-P energy: -16.347
tors. eta vs tors. theta energy: -14.384
Dist. restrs. and SS energy: 1.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -271.884072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.884072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.478262 (E_RNA)
where:
Base-Base interactions energy: -191.153
where: short stacking energy: -65.464
Base-Backbone interact. energy: 0.307
local terms energy: -82.632912
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -24.812
flat angles P-C4'-P energy: -14.350
tors. eta vs tors. theta energy: -17.892
Dist. restrs. and SS energy: 1.594 (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: 3
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -255.338515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.338515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.480039 (E_RNA)
where:
Base-Base interactions energy: -185.771
where: short stacking energy: -82.808
Base-Backbone interact. energy: 6.113
local terms energy: -78.821869
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -16.000
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -13.546
tors. eta vs tors. theta energy: -16.307
Dist. restrs. and SS energy: 3.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -207.516688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.516688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.836105 (E_RNA)
where:
Base-Base interactions energy: -138.241
where: short stacking energy: -52.152
Base-Backbone interact. energy: -0.443
local terms energy: -70.152311
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -22.463
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -14.097
tors. eta vs tors. theta energy: -2.946
Dist. restrs. and SS energy: 1.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -223.720096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.720096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.171517 (E_RNA)
where:
Base-Base interactions energy: -147.020
where: short stacking energy: -53.559
Base-Backbone interact. energy: 1.018
local terms energy: -78.169344
where:
bonds (distance) C4'-P energy: -18.558
bonds (distance) P-C4' energy: -25.074
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -14.450
tors. eta vs tors. theta energy: -6.851
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: 1, replica: 9
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -364.040377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.040377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.125840 (E_RNA)
where:
Base-Base interactions energy: -255.561
where: short stacking energy: -98.719
Base-Backbone interact. energy: 0.080
local terms energy: -109.645261
where:
bonds (distance) C4'-P energy: -22.975
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -24.681
flat angles P-C4'-P energy: -15.186
tors. eta vs tors. theta energy: -26.915
Dist. restrs. and SS energy: 1.085 (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: 1
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -363.156854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.156854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.556496 (E_RNA)
where:
Base-Base interactions energy: -250.180
where: short stacking energy: -100.384
Base-Backbone interact. energy: -1.639
local terms energy: -112.737787
where:
bonds (distance) C4'-P energy: -24.110
bonds (distance) P-C4' energy: -24.085
flat angles C4'-P-C4' energy: -22.504
flat angles P-C4'-P energy: -16.670
tors. eta vs tors. theta energy: -25.369
Dist. restrs. and SS energy: 1.400 (S_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: 275
Temperature: 1.000000
Total energy: -343.899949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.899949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.790533 (E_RNA)
where:
Base-Base interactions energy: -235.286
where: short stacking energy: -87.878
Base-Backbone interact. energy: 1.138
local terms energy: -110.642059
where:
bonds (distance) C4'-P energy: -19.788
bonds (distance) P-C4' energy: -23.018
flat angles C4'-P-C4' energy: -24.832
flat angles P-C4'-P energy: -14.493
tors. eta vs tors. theta energy: -28.511
Dist. restrs. and SS energy: 0.891 (S_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: 275
Temperature: 1.050000
Total energy: -345.455402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.455402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.786470 (E_RNA)
where:
Base-Base interactions energy: -246.560
where: short stacking energy: -90.631
Base-Backbone interact. energy: 0.904
local terms energy: -101.129896
where:
bonds (distance) C4'-P energy: -20.729
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -18.852
flat angles P-C4'-P energy: -17.169
tors. eta vs tors. theta energy: -29.028
Dist. restrs. and SS energy: 1.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -327.390099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.390099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.688484 (E_RNA)
where:
Base-Base interactions energy: -224.939
where: short stacking energy: -82.831
Base-Backbone interact. energy: 0.042
local terms energy: -102.792108
where:
bonds (distance) C4'-P energy: -25.182
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -21.448
flat angles P-C4'-P energy: -14.736
tors. eta vs tors. theta energy: -23.071
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: 6, replica: 2
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -278.302557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.302557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.248053 (E_RNA)
where:
Base-Base interactions energy: -179.897
where: short stacking energy: -74.513
Base-Backbone interact. energy: -1.090
local terms energy: -98.261528
where:
bonds (distance) C4'-P energy: -21.828
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -19.748
flat angles P-C4'-P energy: -20.324
tors. eta vs tors. theta energy: -18.616
Dist. restrs. and SS energy: 0.945 (S_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: 275
Temperature: 1.200000
Total energy: -265.851316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.851316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.743413 (E_RNA)
where:
Base-Base interactions energy: -186.860
where: short stacking energy: -70.403
Base-Backbone interact. energy: -1.229
local terms energy: -79.654418
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -15.374
tors. eta vs tors. theta energy: -16.189
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: 6
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -253.753252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.753252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.227197 (E_RNA)
where:
Base-Base interactions energy: -166.183
where: short stacking energy: -80.250
Base-Backbone interact. energy: -0.292
local terms energy: -91.752223
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -20.952
flat angles C4'-P-C4' energy: -20.513
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -19.799
Dist. restrs. and SS energy: 4.474 (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: 3
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -231.736192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.736192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.064285 (E_RNA)
where:
Base-Base interactions energy: -142.477
where: short stacking energy: -59.131
Base-Backbone interact. energy: -2.423
local terms energy: -93.165140
where:
bonds (distance) C4'-P energy: -24.707
bonds (distance) P-C4' energy: -20.860
flat angles C4'-P-C4' energy: -19.907
flat angles P-C4'-P energy: -13.622
tors. eta vs tors. theta energy: -14.070
Dist. restrs. and SS energy: 6.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -236.743520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.743520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.120390 (E_RNA)
where:
Base-Base interactions energy: -159.811
where: short stacking energy: -58.621
Base-Backbone interact. energy: -0.992
local terms energy: -82.318076
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -19.322
tors. eta vs tors. theta energy: -15.979
Dist. restrs. and SS energy: 6.377 (S_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: 276
Temperature: 0.900000
Total energy: -374.472564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.472564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.236955 (E_RNA)
where:
Base-Base interactions energy: -266.411
where: short stacking energy: -111.177
Base-Backbone interact. energy: -0.382
local terms energy: -109.443378
where:
bonds (distance) C4'-P energy: -23.235
bonds (distance) P-C4' energy: -23.142
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -14.949
tors. eta vs tors. theta energy: -30.397
Dist. restrs. and SS energy: 1.764 (S_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: 276
Temperature: 0.950000
Total energy: -372.807463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.807463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.683518 (E_RNA)
where:
Base-Base interactions energy: -258.778
where: short stacking energy: -99.555
Base-Backbone interact. energy: -1.000
local terms energy: -113.905233
where:
bonds (distance) C4'-P energy: -25.625
bonds (distance) P-C4' energy: -21.181
flat angles C4'-P-C4' energy: -24.032
flat angles P-C4'-P energy: -14.712
tors. eta vs tors. theta energy: -28.356
Dist. restrs. and SS energy: 0.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -351.992212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.992212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.906483 (E_RNA)
where:
Base-Base interactions energy: -246.710
where: short stacking energy: -93.902
Base-Backbone interact. energy: -0.613
local terms energy: -105.583410
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -19.578
flat angles C4'-P-C4' energy: -21.168
flat angles P-C4'-P energy: -18.532
tors. eta vs tors. theta energy: -29.537
Dist. restrs. and SS energy: 0.914 (S_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: 276
Temperature: 1.050000
Total energy: -347.285523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.285523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.659194 (E_RNA)
where:
Base-Base interactions energy: -239.186
where: short stacking energy: -93.360
Base-Backbone interact. energy: -0.627
local terms energy: -108.846109
where:
bonds (distance) C4'-P energy: -21.954
bonds (distance) P-C4' energy: -23.283
flat angles C4'-P-C4' energy: -24.346
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -27.968
Dist. restrs. and SS energy: 1.374 (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: 4
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -324.798782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.798782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.265633 (E_RNA)
where:
Base-Base interactions energy: -229.339
where: short stacking energy: -85.136
Base-Backbone interact. energy: -0.117
local terms energy: -96.809806
where:
bonds (distance) C4'-P energy: -22.679
bonds (distance) P-C4' energy: -21.995
flat angles C4'-P-C4' energy: -19.034
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -23.086
Dist. restrs. and SS energy: 1.467 (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: 276
Temperature: 1.150000
Total energy: -263.752958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.752958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.620195 (E_RNA)
where:
Base-Base interactions energy: -171.020
where: short stacking energy: -77.803
Base-Backbone interact. energy: -0.764
local terms energy: -95.836128
where:
bonds (distance) C4'-P energy: -23.521
bonds (distance) P-C4' energy: -22.232
flat angles C4'-P-C4' energy: -22.593
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: -18.616
Dist. restrs. and SS energy: 3.867 (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: 6
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -268.592499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.592499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.152762 (E_RNA)
where:
Base-Base interactions energy: -173.985
where: short stacking energy: -77.167
Base-Backbone interact. energy: -0.938
local terms energy: -96.229909
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -18.745
flat angles C4'-P-C4' energy: -22.762
flat angles P-C4'-P energy: -18.950
tors. eta vs tors. theta energy: -19.628
Dist. restrs. and SS energy: 2.560 (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: 276
Temperature: 1.250000
Total energy: -254.224733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.224733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.605717 (E_RNA)
where:
Base-Base interactions energy: -173.364
where: short stacking energy: -75.902
Base-Backbone interact. energy: -0.958
local terms energy: -81.283017
where:
bonds (distance) C4'-P energy: -14.870
bonds (distance) P-C4' energy: -21.690
flat angles C4'-P-C4' energy: -17.676
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -16.242
Dist. restrs. and SS energy: 1.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -237.491483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.491483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.358286 (E_RNA)
where:
Base-Base interactions energy: -154.416
where: short stacking energy: -64.427
Base-Backbone interact. energy: -0.273
local terms energy: -86.668836
where:
bonds (distance) C4'-P energy: -19.014
bonds (distance) P-C4' energy: -24.639
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -18.832
Dist. restrs. and SS energy: 3.867 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -203.496527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.496527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.874790 (E_RNA)
where:
Base-Base interactions energy: -137.196
where: short stacking energy: -56.949
Base-Backbone interact. energy: -1.678
local terms energy: -71.000827
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -19.129
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -4.621
Dist. restrs. and SS energy: 6.378 (S_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: 277
Temperature: 0.900000
Total energy: -370.919141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.919141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.279209 (E_RNA)
where:
Base-Base interactions energy: -263.704
where: short stacking energy: -105.236
Base-Backbone interact. energy: 0.099
local terms energy: -108.674940
where:
bonds (distance) C4'-P energy: -22.049
bonds (distance) P-C4' energy: -23.340
flat angles C4'-P-C4' energy: -18.671
flat angles P-C4'-P energy: -15.591
tors. eta vs tors. theta energy: -29.025
Dist. restrs. and SS energy: 1.360 (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: 9
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -360.097159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.097159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.202942 (E_RNA)
where:
Base-Base interactions energy: -256.655
where: short stacking energy: -101.540
Base-Backbone interact. energy: -1.319
local terms energy: -102.229666
where:
bonds (distance) C4'-P energy: -20.752
bonds (distance) P-C4' energy: -23.561
flat angles C4'-P-C4' energy: -19.252
flat angles P-C4'-P energy: -16.866
tors. eta vs tors. theta energy: -21.799
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: 277
Temperature: 1.000000
Total energy: -349.956265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.956265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.521234 (E_RNA)
where:
Base-Base interactions energy: -251.877
where: short stacking energy: -97.134
Base-Backbone interact. energy: -0.501
local terms energy: -98.143186
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -20.466
flat angles P-C4'-P energy: -18.648
tors. eta vs tors. theta energy: -24.064
Dist. restrs. and SS energy: 0.565 (S_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: 277
Temperature: 1.050000
Total energy: -346.632608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.632608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.317298 (E_RNA)
where:
Base-Base interactions energy: -235.507
where: short stacking energy: -96.023
Base-Backbone interact. energy: -0.458
local terms energy: -111.352234
where:
bonds (distance) C4'-P energy: -22.077
bonds (distance) P-C4' energy: -22.115
flat angles C4'-P-C4' energy: -21.816
flat angles P-C4'-P energy: -19.296
tors. eta vs tors. theta energy: -26.047
Dist. restrs. and SS energy: 0.685 (S_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: 277
Temperature: 1.100000
Total energy: -328.926946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.926946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.863766 (E_RNA)
where:
Base-Base interactions energy: -240.422
where: short stacking energy: -92.011
Base-Backbone interact. energy: 1.867
local terms energy: -91.309070
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -15.142
tors. eta vs tors. theta energy: -28.600
Dist. restrs. and SS energy: 0.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -265.219658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.219658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.158932 (E_RNA)
where:
Base-Base interactions energy: -167.517
where: short stacking energy: -74.425
Base-Backbone interact. energy: -1.157
local terms energy: -103.485268
where:
bonds (distance) C4'-P energy: -24.711
bonds (distance) P-C4' energy: -25.570
flat angles C4'-P-C4' energy: -23.041
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -18.552
Dist. restrs. and SS energy: 6.939 (S_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: 277
Temperature: 1.200000
Total energy: -255.921035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.921035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.762525 (E_RNA)
where:
Base-Base interactions energy: -162.295
where: short stacking energy: -62.433
Base-Backbone interact. energy: -0.447
local terms energy: -98.020883
where:
bonds (distance) C4'-P energy: -25.882
bonds (distance) P-C4' energy: -23.020
flat angles C4'-P-C4' energy: -22.467
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -15.217
Dist. restrs. and SS energy: 4.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -245.499360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.499360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.181090 (E_RNA)
where:
Base-Base interactions energy: -162.494
where: short stacking energy: -68.427
Base-Backbone interact. energy: -0.078
local terms energy: -84.609148
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -19.733
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -18.681
Dist. restrs. and SS energy: 1.682 (S_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: 277
Temperature: 1.300000
Total energy: -235.836263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.836263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.463706 (E_RNA)
where:
Base-Base interactions energy: -165.430
where: short stacking energy: -56.482
Base-Backbone interact. energy: -0.491
local terms energy: -72.542408
where:
bonds (distance) C4'-P energy: -10.975
bonds (distance) P-C4' energy: -19.199
flat angles C4'-P-C4' energy: -22.279
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -9.417
Dist. restrs. and SS energy: 2.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -229.554270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.554270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.434356 (E_RNA)
where:
Base-Base interactions energy: -146.369
where: short stacking energy: -69.255
Base-Backbone interact. energy: -0.636
local terms energy: -86.428863
where:
bonds (distance) C4'-P energy: -21.912
bonds (distance) P-C4' energy: -22.088
flat angles C4'-P-C4' energy: -18.854
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -13.085
Dist. restrs. and SS energy: 3.880 (S_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: 278
Temperature: 0.900000
Total energy: -366.211807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.211807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.974551 (E_RNA)
where:
Base-Base interactions energy: -255.430
where: short stacking energy: -105.245
Base-Backbone interact. energy: -0.453
local terms energy: -112.091663
where:
bonds (distance) C4'-P energy: -19.536
bonds (distance) P-C4' energy: -22.478
flat angles C4'-P-C4' energy: -24.524
flat angles P-C4'-P energy: -13.962
tors. eta vs tors. theta energy: -31.592
Dist. restrs. and SS energy: 1.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -361.089965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.089965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.332387 (E_RNA)
where:
Base-Base interactions energy: -255.036
where: short stacking energy: -100.186
Base-Backbone interact. energy: -0.732
local terms energy: -106.564544
where:
bonds (distance) C4'-P energy: -20.140
bonds (distance) P-C4' energy: -22.200
flat angles C4'-P-C4' energy: -21.022
flat angles P-C4'-P energy: -14.712
tors. eta vs tors. theta energy: -28.491
Dist. restrs. and SS energy: 1.242 (S_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: 278
Temperature: 1.000000
Total energy: -345.304899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.304899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.532210 (E_RNA)
where:
Base-Base interactions energy: -245.911
where: short stacking energy: -90.676
Base-Backbone interact. energy: 0.242
local terms energy: -100.862988
where:
bonds (distance) C4'-P energy: -19.175
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -23.200
flat angles P-C4'-P energy: -16.991
tors. eta vs tors. theta energy: -23.204
Dist. restrs. and SS energy: 1.227 (S_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: 278
Temperature: 1.050000
Total energy: -349.171065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.171065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.423518 (E_RNA)
where:
Base-Base interactions energy: -253.072
where: short stacking energy: -93.432
Base-Backbone interact. energy: -0.786
local terms energy: -96.565813
where:
bonds (distance) C4'-P energy: -19.371
bonds (distance) P-C4' energy: -19.877
flat angles C4'-P-C4' energy: -19.353
flat angles P-C4'-P energy: -16.155
tors. eta vs tors. theta energy: -21.810
Dist. restrs. and SS energy: 1.252 (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: 278
Temperature: 1.100000
Total energy: -351.396729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.396729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.496787 (E_RNA)
where:
Base-Base interactions energy: -242.199
where: short stacking energy: -89.982
Base-Backbone interact. energy: -1.130
local terms energy: -109.167500
where:
bonds (distance) C4'-P energy: -18.113
bonds (distance) P-C4' energy: -20.424
flat angles C4'-P-C4' energy: -22.543
flat angles P-C4'-P energy: -15.757
tors. eta vs tors. theta energy: -32.331
Dist. restrs. and SS energy: 1.100 (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: 6
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -274.330260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.330260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.174097 (E_RNA)
where:
Base-Base interactions energy: -189.180
where: short stacking energy: -77.348
Base-Backbone interact. energy: 0.871
local terms energy: -86.864497
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -21.482
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -21.917
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: 7, replica: 2
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -290.578118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.578118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.418612 (E_RNA)
where:
Base-Base interactions energy: -198.562
where: short stacking energy: -86.116
Base-Backbone interact. energy: -0.675
local terms energy: -93.181494
where:
bonds (distance) C4'-P energy: -19.927
bonds (distance) P-C4' energy: -23.165
flat angles C4'-P-C4' energy: -21.659
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -17.361
Dist. restrs. and SS energy: 1.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -249.017796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.017796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.660584 (E_RNA)
where:
Base-Base interactions energy: -172.019
where: short stacking energy: -67.119
Base-Backbone interact. energy: -0.494
local terms energy: -78.147060
where:
bonds (distance) C4'-P energy: -16.705
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -16.697
Dist. restrs. and SS energy: 1.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -227.087620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.087620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.272253 (E_RNA)
where:
Base-Base interactions energy: -147.722
where: short stacking energy: -63.951
Base-Backbone interact. energy: -0.035
local terms energy: -79.514723
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -19.846
flat angles P-C4'-P energy: -16.448
tors. eta vs tors. theta energy: -12.313
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: 10, replica: 10
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -179.551991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.551991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.844947 (E_RNA)
where:
Base-Base interactions energy: -116.747
where: short stacking energy: -48.490
Base-Backbone interact. energy: -1.119
local terms energy: -76.979651
where:
bonds (distance) C4'-P energy: -17.697
bonds (distance) P-C4' energy: -21.905
flat angles C4'-P-C4' energy: -11.040
flat angles P-C4'-P energy: -16.058
tors. eta vs tors. theta energy: -10.279
Dist. restrs. and SS energy: 15.293 (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: 279
Temperature: 0.900000
Total energy: -373.401505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.401505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.698276 (E_RNA)
where:
Base-Base interactions energy: -255.524
where: short stacking energy: -103.668
Base-Backbone interact. energy: -0.773
local terms energy: -118.401849
where:
bonds (distance) C4'-P energy: -23.650
bonds (distance) P-C4' energy: -23.548
flat angles C4'-P-C4' energy: -25.665
flat angles P-C4'-P energy: -15.270
tors. eta vs tors. theta energy: -30.268
Dist. restrs. and SS energy: 1.297 (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: 279
Temperature: 0.950000
Total energy: -367.604577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.604577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.273152 (E_RNA)
where:
Base-Base interactions energy: -261.445
where: short stacking energy: -108.741
Base-Backbone interact. energy: -0.011
local terms energy: -107.816630
where:
bonds (distance) C4'-P energy: -22.424
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -26.264
flat angles P-C4'-P energy: -13.895
tors. eta vs tors. theta energy: -28.868
Dist. restrs. and SS energy: 1.669 (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: 4
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -341.350669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.350669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.857559 (E_RNA)
where:
Base-Base interactions energy: -235.245
where: short stacking energy: -90.650
Base-Backbone interact. energy: -0.452
local terms energy: -107.160307
where:
bonds (distance) C4'-P energy: -18.656
bonds (distance) P-C4' energy: -25.504
flat angles C4'-P-C4' energy: -22.852
flat angles P-C4'-P energy: -13.284
tors. eta vs tors. theta energy: -26.864
Dist. restrs. and SS energy: 1.507 (S_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: 279
Temperature: 1.050000
Total energy: -340.277172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.277172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.604508 (E_RNA)
where:
Base-Base interactions energy: -234.924
where: short stacking energy: -93.338
Base-Backbone interact. energy: -1.326
local terms energy: -104.355396
where:
bonds (distance) C4'-P energy: -25.788
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -23.173
flat angles P-C4'-P energy: -16.218
tors. eta vs tors. theta energy: -26.422
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: 5, replica: 7
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -341.634277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.634277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.462949 (E_RNA)
where:
Base-Base interactions energy: -242.405
where: short stacking energy: -89.997
Base-Backbone interact. energy: -0.565
local terms energy: -99.493106
where:
bonds (distance) C4'-P energy: -16.899
bonds (distance) P-C4' energy: -19.607
flat angles C4'-P-C4' energy: -21.756
flat angles P-C4'-P energy: -14.680
tors. eta vs tors. theta energy: -26.551
Dist. restrs. and SS energy: 0.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -271.749670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.749670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.144083 (E_RNA)
where:
Base-Base interactions energy: -176.534
where: short stacking energy: -76.838
Base-Backbone interact. energy: -0.247
local terms energy: -98.363595
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -22.493
flat angles C4'-P-C4' energy: -26.318
flat angles P-C4'-P energy: -16.012
tors. eta vs tors. theta energy: -17.439
Dist. restrs. and SS energy: 3.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -288.416324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.416324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.935136 (E_RNA)
where:
Base-Base interactions energy: -186.021
where: short stacking energy: -68.444
Base-Backbone interact. energy: 0.141
local terms energy: -104.055830
where:
bonds (distance) C4'-P energy: -24.777
bonds (distance) P-C4' energy: -23.321
flat angles C4'-P-C4' energy: -20.055
flat angles P-C4'-P energy: -15.428
tors. eta vs tors. theta energy: -20.475
Dist. restrs. and SS energy: 1.519 (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: 5
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -232.152856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.152856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.298733 (E_RNA)
where:
Base-Base interactions energy: -154.135
where: short stacking energy: -65.718
Base-Backbone interact. energy: -1.444
local terms energy: -83.720420
where:
bonds (distance) C4'-P energy: -20.861
bonds (distance) P-C4' energy: -21.697
flat angles C4'-P-C4' energy: -21.577
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -6.522
Dist. restrs. and SS energy: 7.146 (S_DIST_RNA)
chem. 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: -236.333791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.333791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.130082 (E_RNA)
where:
Base-Base interactions energy: -158.066
where: short stacking energy: -65.763
Base-Backbone interact. energy: -1.565
local terms energy: -81.499883
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -19.674
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -18.773
Dist. restrs. and SS energy: 4.796 (S_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: 279
Temperature: 1.350000
Total energy: -203.341123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.341123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.044269 (E_RNA)
where:
Base-Base interactions energy: -136.612
where: short stacking energy: -56.867
Base-Backbone interact. energy: 0.351
local terms energy: -73.783505
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -22.348
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -7.651
Dist. restrs. and SS energy: 6.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -369.997064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.997064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.052371 (E_RNA)
where:
Base-Base interactions energy: -257.251
where: short stacking energy: -94.788
Base-Backbone interact. energy: -0.654
local terms energy: -113.146880
where:
bonds (distance) C4'-P energy: -25.248
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -24.623
flat angles P-C4'-P energy: -15.971
tors. eta vs tors. theta energy: -29.180
Dist. restrs. and SS energy: 1.055 (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: 9
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -357.333013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.333013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.177448 (E_RNA)
where:
Base-Base interactions energy: -250.376
where: short stacking energy: -100.404
Base-Backbone interact. energy: -1.611
local terms energy: -106.190562
where:
bonds (distance) C4'-P energy: -21.110
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -23.381
flat angles P-C4'-P energy: -18.372
tors. eta vs tors. theta energy: -29.601
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: 3, replica: 8
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -348.233295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.233295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.826822 (E_RNA)
where:
Base-Base interactions energy: -246.066
where: short stacking energy: -94.714
Base-Backbone interact. energy: -1.750
local terms energy: -102.010880
where:
bonds (distance) C4'-P energy: -19.247
bonds (distance) P-C4' energy: -21.061
flat angles C4'-P-C4' energy: -19.843
flat angles P-C4'-P energy: -15.924
tors. eta vs tors. theta energy: -25.936
Dist. restrs. and SS energy: 1.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -350.224114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.224114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.925052 (E_RNA)
where:
Base-Base interactions energy: -249.105
where: short stacking energy: -97.063
Base-Backbone interact. energy: -0.323
local terms energy: -101.497710
where:
bonds (distance) C4'-P energy: -20.190
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -23.873
flat angles P-C4'-P energy: -13.726
tors. eta vs tors. theta energy: -27.666
Dist. restrs. and SS energy: 0.701 (S_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: 280
Temperature: 1.100000
Total energy: -323.685068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.685068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.620535 (E_RNA)
where:
Base-Base interactions energy: -227.050
where: short stacking energy: -86.915
Base-Backbone interact. energy: 0.582
local terms energy: -99.152904
where:
bonds (distance) C4'-P energy: -20.661
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -13.695
tors. eta vs tors. theta energy: -26.533
Dist. restrs. and SS energy: 1.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -289.210574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.210574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.206343 (E_RNA)
where:
Base-Base interactions energy: -188.735
where: short stacking energy: -81.190
Base-Backbone interact. energy: 2.647
local terms energy: -106.118352
where:
bonds (distance) C4'-P energy: -20.003
bonds (distance) P-C4' energy: -22.691
flat angles C4'-P-C4' energy: -26.626
flat angles P-C4'-P energy: -18.471
tors. eta vs tors. theta energy: -18.328
Dist. restrs. and SS energy: 2.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -285.165385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.165385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.477585 (E_RNA)
where:
Base-Base interactions energy: -185.988
where: short stacking energy: -81.651
Base-Backbone interact. energy: -0.591
local terms energy: -100.898248
where:
bonds (distance) C4'-P energy: -23.063
bonds (distance) P-C4' energy: -21.608
flat angles C4'-P-C4' energy: -19.248
flat angles P-C4'-P energy: -19.363
tors. eta vs tors. theta energy: -17.615
Dist. restrs. and SS energy: 2.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -239.210596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.210596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.808410 (E_RNA)
where:
Base-Base interactions energy: -154.182
where: short stacking energy: -68.017
Base-Backbone interact. energy: -1.064
local terms energy: -89.561890
where:
bonds (distance) C4'-P energy: -17.120
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -18.141
flat angles P-C4'-P energy: -17.624
tors. eta vs tors. theta energy: -15.761
Dist. restrs. and SS energy: 5.598 (S_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: 280
Temperature: 1.300000
Total energy: -237.544008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.544008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.528400 (E_RNA)
where:
Base-Base interactions energy: -158.433
where: short stacking energy: -67.375
Base-Backbone interact. energy: -0.373
local terms energy: -81.721484
where:
bonds (distance) C4'-P energy: -24.987
bonds (distance) P-C4' energy: -16.814
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -15.417
tors. eta vs tors. theta energy: -7.924
Dist. restrs. and SS energy: 2.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -225.886336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.886336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.507660 (E_RNA)
where:
Base-Base interactions energy: -147.111
where: short stacking energy: -52.550
Base-Backbone interact. energy: -0.294
local terms energy: -79.102404
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -22.397
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -10.375
Dist. restrs. and SS energy: 0.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -369.054114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.054114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.111780 (E_RNA)
where:
Base-Base interactions energy: -256.456
where: short stacking energy: -95.324
Base-Backbone interact. energy: 0.174
local terms energy: -112.830116
where:
bonds (distance) C4'-P energy: -23.415
bonds (distance) P-C4' energy: -21.962
flat angles C4'-P-C4' energy: -23.397
flat angles P-C4'-P energy: -15.827
tors. eta vs tors. theta energy: -28.229
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: 281
Temperature: 0.950000
Total energy: -353.276794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.276794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.780842 (E_RNA)
where:
Base-Base interactions energy: -251.885
where: short stacking energy: -101.570
Base-Backbone interact. energy: -1.958
local terms energy: -100.938162
where:
bonds (distance) C4'-P energy: -21.443
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -25.701
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -26.115
Dist. restrs. and SS energy: 1.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -356.155991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.155991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.094214 (E_RNA)
where:
Base-Base interactions energy: -253.856
where: short stacking energy: -98.749
Base-Backbone interact. energy: 0.025
local terms energy: -103.263507
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -25.563
flat angles C4'-P-C4' energy: -24.978
flat angles P-C4'-P energy: -13.428
tors. eta vs tors. theta energy: -28.260
Dist. restrs. and SS energy: 0.938 (S_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: 281
Temperature: 1.050000
Total energy: -325.727548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.727548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.957021 (E_RNA)
where:
Base-Base interactions energy: -222.660
where: short stacking energy: -91.611
Base-Backbone interact. energy: -0.552
local terms energy: -105.745829
where:
bonds (distance) C4'-P energy: -18.756
bonds (distance) P-C4' energy: -22.667
flat angles C4'-P-C4' energy: -24.495
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -28.513
Dist. restrs. and SS energy: 3.229 (S_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: -305.204857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.204857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.407505 (E_RNA)
where:
Base-Base interactions energy: -213.206
where: short stacking energy: -86.219
Base-Backbone interact. energy: -0.566
local terms energy: -91.635571
where:
bonds (distance) C4'-P energy: -19.733
bonds (distance) P-C4' energy: -18.951
flat angles C4'-P-C4' energy: -20.211
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -19.902
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: 6, replica: 6
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -272.280328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.280328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.030566 (E_RNA)
where:
Base-Base interactions energy: -179.092
where: short stacking energy: -66.479
Base-Backbone interact. energy: -0.609
local terms energy: -95.329844
where:
bonds (distance) C4'-P energy: -19.585
bonds (distance) P-C4' energy: -25.867
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -14.102
tors. eta vs tors. theta energy: -15.953
Dist. restrs. and SS energy: 2.750 (S_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: 281
Temperature: 1.200000
Total energy: -270.378614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.378614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.740863 (E_RNA)
where:
Base-Base interactions energy: -181.628
where: short stacking energy: -73.968
Base-Backbone interact. energy: -0.253
local terms energy: -91.859375
where:
bonds (distance) C4'-P energy: -18.474
bonds (distance) P-C4' energy: -16.897
flat angles C4'-P-C4' energy: -22.815
flat angles P-C4'-P energy: -16.572
tors. eta vs tors. theta energy: -17.101
Dist. restrs. and SS energy: 3.362 (S_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: 281
Temperature: 1.250000
Total energy: -246.070770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.070770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.574498 (E_RNA)
where:
Base-Base interactions energy: -175.921
where: short stacking energy: -66.092
Base-Backbone interact. energy: 0.710
local terms energy: -76.363436
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -23.518
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -13.974
tors. eta vs tors. theta energy: -11.658
Dist. restrs. and SS energy: 5.504 (S_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: 281
Temperature: 1.300000
Total energy: -280.941173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.941173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.679424 (E_RNA)
where:
Base-Base interactions energy: -198.675
where: short stacking energy: -80.894
Base-Backbone interact. energy: -0.268
local terms energy: -83.737102
where:
bonds (distance) C4'-P energy: -14.291
bonds (distance) P-C4' energy: -20.674
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -21.938
Dist. restrs. and SS energy: 1.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -211.321423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.321423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.629852 (E_RNA)
where:
Base-Base interactions energy: -136.254
where: short stacking energy: -53.196
Base-Backbone interact. energy: -0.468
local terms energy: -75.907390
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -24.790
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -13.286
tors. eta vs tors. theta energy: -2.544
Dist. restrs. and SS energy: 1.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -362.894783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.894783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.513236 (E_RNA)
where:
Base-Base interactions energy: -254.149
where: short stacking energy: -98.815
Base-Backbone interact. energy: 0.133
local terms energy: -110.497021
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -24.720
flat angles C4'-P-C4' energy: -21.984
flat angles P-C4'-P energy: -17.604
tors. eta vs tors. theta energy: -27.672
Dist. restrs. and SS energy: 1.618 (S_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: 282
Temperature: 0.950000
Total energy: -353.452733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.452733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.005825 (E_RNA)
where:
Base-Base interactions energy: -248.060
where: short stacking energy: -106.103
Base-Backbone interact. energy: -0.806
local terms energy: -106.140634
where:
bonds (distance) C4'-P energy: -24.941
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -23.762
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -27.820
Dist. restrs. and SS energy: 1.553 (S_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: 282
Temperature: 1.000000
Total energy: -359.993828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.993828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.072551 (E_RNA)
where:
Base-Base interactions energy: -253.483
where: short stacking energy: -94.941
Base-Backbone interact. energy: -1.709
local terms energy: -106.880761
where:
bonds (distance) C4'-P energy: -19.109
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -24.154
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -30.966
Dist. restrs. and SS energy: 2.079 (S_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: 282
Temperature: 1.050000
Total energy: -349.274951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.274951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.274389 (E_RNA)
where:
Base-Base interactions energy: -242.837
where: short stacking energy: -87.626
Base-Backbone interact. energy: -0.122
local terms energy: -107.315365
where:
bonds (distance) C4'-P energy: -21.105
bonds (distance) P-C4' energy: -20.691
flat angles C4'-P-C4' energy: -22.010
flat angles P-C4'-P energy: -15.096
tors. eta vs tors. theta energy: -28.413
Dist. restrs. and SS energy: 0.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -297.691628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.691628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.047269 (E_RNA)
where:
Base-Base interactions energy: -194.890
where: short stacking energy: -78.724
Base-Backbone interact. energy: -1.044
local terms energy: -104.113267
where:
bonds (distance) C4'-P energy: -22.424
bonds (distance) P-C4' energy: -19.691
flat angles C4'-P-C4' energy: -22.512
flat angles P-C4'-P energy: -15.535
tors. eta vs tors. theta energy: -23.951
Dist. restrs. and SS energy: 2.356 (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: 282
Temperature: 1.150000
Total energy: -316.935572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.935572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.263533 (E_RNA)
where:
Base-Base interactions energy: -217.563
where: short stacking energy: -90.100
Base-Backbone interact. energy: -1.351
local terms energy: -98.349178
where:
bonds (distance) C4'-P energy: -21.052
bonds (distance) P-C4' energy: -21.222
flat angles C4'-P-C4' energy: -22.146
flat angles P-C4'-P energy: -13.578
tors. eta vs tors. theta energy: -20.351
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: 7, replica: 2
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -307.618539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.618539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.504527 (E_RNA)
where:
Base-Base interactions energy: -209.468
where: short stacking energy: -83.932
Base-Backbone interact. energy: 0.276
local terms energy: -100.311666
where:
bonds (distance) C4'-P energy: -20.384
bonds (distance) P-C4' energy: -21.333
flat angles C4'-P-C4' energy: -21.023
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -24.918
Dist. restrs. and SS energy: 1.886 (S_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: -247.863894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.863894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.564885 (E_RNA)
where:
Base-Base interactions energy: -163.155
where: short stacking energy: -67.655
Base-Backbone interact. energy: -1.029
local terms energy: -84.380482
where:
bonds (distance) C4'-P energy: -21.237
bonds (distance) P-C4' energy: -22.699
flat angles C4'-P-C4' energy: -17.937
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -11.074
Dist. restrs. and SS energy: 0.701 (S_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: -253.331159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.331159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.214158 (E_RNA)
where:
Base-Base interactions energy: -161.013
where: short stacking energy: -74.184
Base-Backbone interact. energy: -0.573
local terms energy: -95.627755
where:
bonds (distance) C4'-P energy: -24.896
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -21.542
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -19.826
Dist. restrs. and SS energy: 3.883 (S_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: 282
Temperature: 1.350000
Total energy: -184.562696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.562696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.908694 (E_RNA)
where:
Base-Base interactions energy: -114.291
where: short stacking energy: -55.315
Base-Backbone interact. energy: -0.174
local terms energy: -80.442988
where:
bonds (distance) C4'-P energy: -21.277
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -23.105
flat angles P-C4'-P energy: -5.943
tors. eta vs tors. theta energy: -12.693
Dist. restrs. and SS energy: 10.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -365.665422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.665422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.108338 (E_RNA)
where:
Base-Base interactions energy: -262.148
where: short stacking energy: -100.277
Base-Backbone interact. energy: -0.969
local terms energy: -103.991519
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -21.868
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -17.697
tors. eta vs tors. theta energy: -32.423
Dist. restrs. and SS energy: 1.443 (S_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: 283
Temperature: 0.950000
Total energy: -360.035079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.035079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.802102 (E_RNA)
where:
Base-Base interactions energy: -251.285
where: short stacking energy: -106.264
Base-Backbone interact. energy: -0.263
local terms energy: -109.254470
where:
bonds (distance) C4'-P energy: -21.697
bonds (distance) P-C4' energy: -20.400
flat angles C4'-P-C4' energy: -23.479
flat angles P-C4'-P energy: -16.156
tors. eta vs tors. theta energy: -27.523
Dist. restrs. and SS energy: 0.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -344.064084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.064084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.074475 (E_RNA)
where:
Base-Base interactions energy: -235.318
where: short stacking energy: -95.029
Base-Backbone interact. energy: -0.611
local terms energy: -110.145451
where:
bonds (distance) C4'-P energy: -22.319
bonds (distance) P-C4' energy: -19.942
flat angles C4'-P-C4' energy: -24.911
flat angles P-C4'-P energy: -16.095
tors. eta vs tors. theta energy: -26.879
Dist. restrs. and SS energy: 2.010 (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: 283
Temperature: 1.050000
Total energy: -350.634830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.634830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.147102 (E_RNA)
where:
Base-Base interactions energy: -250.154
where: short stacking energy: -99.020
Base-Backbone interact. energy: 1.413
local terms energy: -103.406057
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -21.107
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -29.560
Dist. restrs. and SS energy: 1.512 (S_DIST_RNA)
chem. 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: -296.436075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.436075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.212507 (E_RNA)
where:
Base-Base interactions energy: -205.175
where: short stacking energy: -83.144
Base-Backbone interact. energy: -0.645
local terms energy: -92.392897
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -23.915
flat angles C4'-P-C4' energy: -20.550
flat angles P-C4'-P energy: -15.461
tors. eta vs tors. theta energy: -19.511
Dist. restrs. and SS energy: 1.776 (S_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: 283
Temperature: 1.150000
Total energy: -312.484067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.484067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.233478 (E_RNA)
where:
Base-Base interactions energy: -209.592
where: short stacking energy: -74.536
Base-Backbone interact. energy: -1.378
local terms energy: -102.263055
where:
bonds (distance) C4'-P energy: -21.129
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -24.341
flat angles P-C4'-P energy: -19.212
tors. eta vs tors. theta energy: -16.293
Dist. restrs. and SS energy: 0.749 (S_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: 283
Temperature: 1.200000
Total energy: -309.024833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.024833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.730324 (E_RNA)
where:
Base-Base interactions energy: -209.943
where: short stacking energy: -77.824
Base-Backbone interact. energy: -0.486
local terms energy: -99.300973
where:
bonds (distance) C4'-P energy: -20.410
bonds (distance) P-C4' energy: -19.475
flat angles C4'-P-C4' energy: -21.594
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -25.574
Dist. restrs. and SS energy: 0.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -262.471130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.471130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.531829 (E_RNA)
where:
Base-Base interactions energy: -175.157
where: short stacking energy: -70.578
Base-Backbone interact. energy: -2.142
local terms energy: -87.232994
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -19.743
flat angles C4'-P-C4' energy: -19.335
flat angles P-C4'-P energy: -16.456
tors. eta vs tors. theta energy: -16.018
Dist. restrs. and SS energy: 2.061 (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: 5
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -243.137450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.137450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.083021 (E_RNA)
where:
Base-Base interactions energy: -161.313
where: short stacking energy: -57.256
Base-Backbone interact. energy: -0.493
local terms energy: -88.277408
where:
bonds (distance) C4'-P energy: -21.601
bonds (distance) P-C4' energy: -22.179
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -15.894
tors. eta vs tors. theta energy: -12.538
Dist. restrs. and SS energy: 6.946 (S_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: 283
Temperature: 1.350000
Total energy: -202.292252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.292252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.085053 (E_RNA)
where:
Base-Base interactions energy: -123.264
where: short stacking energy: -54.320
Base-Backbone interact. energy: 1.576
local terms energy: -82.397068
where:
bonds (distance) C4'-P energy: -20.638
bonds (distance) P-C4' energy: -21.470
flat angles C4'-P-C4' energy: -24.693
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -4.892
Dist. restrs. and SS energy: 1.793 (S_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: 284
Temperature: 0.900000
Total energy: -361.370501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.370501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.301881 (E_RNA)
where:
Base-Base interactions energy: -254.516
where: short stacking energy: -97.917
Base-Backbone interact. energy: 1.309
local terms energy: -109.094635
where:
bonds (distance) C4'-P energy: -21.777
bonds (distance) P-C4' energy: -23.347
flat angles C4'-P-C4' energy: -21.355
flat angles P-C4'-P energy: -15.015
tors. eta vs tors. theta energy: -27.600
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: 2, replica: 8
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -354.753281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.753281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.502748 (E_RNA)
where:
Base-Base interactions energy: -249.183
where: short stacking energy: -98.462
Base-Backbone interact. energy: -0.928
local terms energy: -105.392492
where:
bonds (distance) C4'-P energy: -19.308
bonds (distance) P-C4' energy: -22.972
flat angles C4'-P-C4' energy: -21.358
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -29.097
Dist. restrs. and SS energy: 0.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -353.584596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.584596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.700201 (E_RNA)
where:
Base-Base interactions energy: -249.524
where: short stacking energy: -91.349
Base-Backbone interact. energy: 0.008
local terms energy: -105.184574
where:
bonds (distance) C4'-P energy: -24.114
bonds (distance) P-C4' energy: -17.828
flat angles C4'-P-C4' energy: -21.755
flat angles P-C4'-P energy: -14.575
tors. eta vs tors. theta energy: -26.912
Dist. restrs. and SS energy: 1.116 (S_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: 284
Temperature: 1.050000
Total energy: -332.171018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.171018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.567316 (E_RNA)
where:
Base-Base interactions energy: -228.242
where: short stacking energy: -96.803
Base-Backbone interact. energy: -0.351
local terms energy: -103.974684
where:
bonds (distance) C4'-P energy: -20.943
bonds (distance) P-C4' energy: -21.820
flat angles C4'-P-C4' energy: -23.810
flat angles P-C4'-P energy: -14.253
tors. eta vs tors. theta energy: -23.148
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: 5, replica: 2
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -311.095077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.095077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.146563 (E_RNA)
where:
Base-Base interactions energy: -215.774
where: short stacking energy: -82.674
Base-Backbone interact. energy: 0.512
local terms energy: -95.884340
where:
bonds (distance) C4'-P energy: -18.914
bonds (distance) P-C4' energy: -22.043
flat angles C4'-P-C4' energy: -19.095
flat angles P-C4'-P energy: -15.488
tors. eta vs tors. theta energy: -20.344
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: 6
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -283.425141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.425141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.341009 (E_RNA)
where:
Base-Base interactions energy: -194.909
where: short stacking energy: -91.706
Base-Backbone interact. energy: -0.672
local terms energy: -94.759558
where:
bonds (distance) C4'-P energy: -21.089
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -22.161
flat angles P-C4'-P energy: -7.058
tors. eta vs tors. theta energy: -24.932
Dist. restrs. and SS energy: 6.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -255.146133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.146133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.293922 (E_RNA)
where:
Base-Base interactions energy: -158.515
where: short stacking energy: -66.775
Base-Backbone interact. energy: -0.281
local terms energy: -98.497899
where:
bonds (distance) C4'-P energy: -26.138
bonds (distance) P-C4' energy: -19.983
flat angles C4'-P-C4' energy: -21.587
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: -17.607
Dist. restrs. and SS energy: 2.148 (S_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: 284
Temperature: 1.250000
Total energy: -289.850444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.850444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.150238 (E_RNA)
where:
Base-Base interactions energy: -204.218
where: short stacking energy: -84.996
Base-Backbone interact. energy: -1.058
local terms energy: -85.874470
where:
bonds (distance) C4'-P energy: -20.244
bonds (distance) P-C4' energy: -17.968
flat angles C4'-P-C4' energy: -19.643
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -19.050
Dist. restrs. and SS energy: 1.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -202.821883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.821883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.696596 (E_RNA)
where:
Base-Base interactions energy: -135.683
where: short stacking energy: -59.645
Base-Backbone interact. energy: -1.149
local terms energy: -69.864647
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -22.890
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -7.962
Dist. restrs. and SS energy: 3.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -226.508807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.508807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.201117 (E_RNA)
where:
Base-Base interactions energy: -161.507
where: short stacking energy: -54.084
Base-Backbone interact. energy: 1.820
local terms energy: -67.514238
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -22.790
flat angles C4'-P-C4' energy: -8.855
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -9.804
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: 1, replica: 9
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -370.201061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.201061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.621831 (E_RNA)
where:
Base-Base interactions energy: -254.216
where: short stacking energy: -104.707
Base-Backbone interact. energy: -0.731
local terms energy: -116.675729
where:
bonds (distance) C4'-P energy: -19.514
bonds (distance) P-C4' energy: -23.905
flat angles C4'-P-C4' energy: -25.383
flat angles P-C4'-P energy: -20.298
tors. eta vs tors. theta energy: -27.577
Dist. restrs. and SS energy: 1.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -365.073706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.073706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.860902 (E_RNA)
where:
Base-Base interactions energy: -254.744
where: short stacking energy: -101.651
Base-Backbone interact. energy: -1.522
local terms energy: -110.594763
where:
bonds (distance) C4'-P energy: -22.682
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -27.474
flat angles P-C4'-P energy: -17.720
tors. eta vs tors. theta energy: -23.990
Dist. restrs. and SS energy: 1.787 (S_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: 285
Temperature: 1.000000
Total energy: -357.485734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.485734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.931253 (E_RNA)
where:
Base-Base interactions energy: -254.044
where: short stacking energy: -99.363
Base-Backbone interact. energy: -1.242
local terms energy: -103.645955
where:
bonds (distance) C4'-P energy: -19.667
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -25.978
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -28.623
Dist. restrs. and SS energy: 1.446 (S_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: 285
Temperature: 1.050000
Total energy: -345.405912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.405912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.805487 (E_RNA)
where:
Base-Base interactions energy: -231.709
where: short stacking energy: -82.170
Base-Backbone interact. energy: -1.047
local terms energy: -114.050054
where:
bonds (distance) C4'-P energy: -23.787
bonds (distance) P-C4' energy: -26.777
flat angles C4'-P-C4' energy: -24.105
flat angles P-C4'-P energy: -16.824
tors. eta vs tors. theta energy: -22.558
Dist. restrs. and SS energy: 1.400 (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: 2
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -301.403027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.403027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.608738 (E_RNA)
where:
Base-Base interactions energy: -209.521
where: short stacking energy: -80.262
Base-Backbone interact. energy: 0.135
local terms energy: -92.222326
where:
bonds (distance) C4'-P energy: -19.602
bonds (distance) P-C4' energy: -22.955
flat angles C4'-P-C4' energy: -19.588
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -17.157
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: 6, replica: 6
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -284.462244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.462244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.319315 (E_RNA)
where:
Base-Base interactions energy: -190.527
where: short stacking energy: -73.461
Base-Backbone interact. energy: 0.402
local terms energy: -100.194874
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -25.565
flat angles C4'-P-C4' energy: -19.436
flat angles P-C4'-P energy: -18.527
tors. eta vs tors. theta energy: -18.829
Dist. restrs. and SS energy: 5.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -251.037772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.037772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.751297 (E_RNA)
where:
Base-Base interactions energy: -174.182
where: short stacking energy: -60.906
Base-Backbone interact. energy: -1.008
local terms energy: -77.560736
where:
bonds (distance) C4'-P energy: -19.968
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -21.275
flat angles P-C4'-P energy: -6.410
tors. eta vs tors. theta energy: -17.109
Dist. restrs. and SS energy: 1.714 (S_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: 285
Temperature: 1.250000
Total energy: -293.924477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.924477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.029162 (E_RNA)
where:
Base-Base interactions energy: -210.129
where: short stacking energy: -81.215
Base-Backbone interact. energy: -1.445
local terms energy: -83.454976
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -22.056
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -17.555
Dist. restrs. and SS energy: 1.105 (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: 3
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -197.707893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.707893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.214242 (E_RNA)
where:
Base-Base interactions energy: -128.802
where: short stacking energy: -48.193
Base-Backbone interact. energy: -1.634
local terms energy: -68.778800
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -20.107
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -14.784
tors. eta vs tors. theta energy: -0.346
Dist. restrs. and SS energy: 1.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -222.883130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.883130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.568021 (E_RNA)
where:
Base-Base interactions energy: -138.525
where: short stacking energy: -54.217
Base-Backbone interact. energy: 0.053
local terms energy: -86.095516
where:
bonds (distance) C4'-P energy: -21.970
bonds (distance) P-C4' energy: -23.797
flat angles C4'-P-C4' energy: -19.232
flat angles P-C4'-P energy: -16.939
tors. eta vs tors. theta energy: -4.157
Dist. restrs. and SS energy: 1.685 (S_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: 286
Temperature: 0.900000
Total energy: -371.277024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.277024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.827597 (E_RNA)
where:
Base-Base interactions energy: -255.967
where: short stacking energy: -98.553
Base-Backbone interact. energy: -0.017
local terms energy: -116.843561
where:
bonds (distance) C4'-P energy: -21.754
bonds (distance) P-C4' energy: -26.435
flat angles C4'-P-C4' energy: -23.013
flat angles P-C4'-P energy: -19.399
tors. eta vs tors. theta energy: -26.243
Dist. restrs. and SS energy: 1.551 (S_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: 286
Temperature: 0.950000
Total energy: -365.442979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.442979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.185743 (E_RNA)
where:
Base-Base interactions energy: -260.419
where: short stacking energy: -93.951
Base-Backbone interact. energy: 0.322
local terms energy: -107.088618
where:
bonds (distance) C4'-P energy: -22.087
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -23.793
flat angles P-C4'-P energy: -14.912
tors. eta vs tors. theta energy: -25.715
Dist. restrs. and SS energy: 1.743 (S_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: 286
Temperature: 1.000000
Total energy: -339.741962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.741962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.902297 (E_RNA)
where:
Base-Base interactions energy: -236.440
where: short stacking energy: -90.542
Base-Backbone interact. energy: -0.062
local terms energy: -104.399406
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -24.247
flat angles C4'-P-C4' energy: -22.881
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -26.944
Dist. restrs. and SS energy: 1.160 (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: 8
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -346.593614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.593614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.457150 (E_RNA)
where:
Base-Base interactions energy: -247.353
where: short stacking energy: -96.538
Base-Backbone interact. energy: -0.291
local terms energy: -99.813099
where:
bonds (distance) C4'-P energy: -20.765
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -19.989
flat angles P-C4'-P energy: -18.695
tors. eta vs tors. theta energy: -26.050
Dist. restrs. and SS energy: 0.864 (S_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: 286
Temperature: 1.100000
Total energy: -308.385696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.385696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.270785 (E_RNA)
where:
Base-Base interactions energy: -219.300
where: short stacking energy: -83.287
Base-Backbone interact. energy: -0.598
local terms energy: -89.371904
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -23.053
flat angles C4'-P-C4' energy: -20.004
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: -17.169
Dist. restrs. and SS energy: 0.885 (S_DIST_RNA)
chem. 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: -266.145775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.145775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.335606 (E_RNA)
where:
Base-Base interactions energy: -170.749
where: short stacking energy: -71.207
Base-Backbone interact. energy: -0.711
local terms energy: -99.875670
where:
bonds (distance) C4'-P energy: -21.030
bonds (distance) P-C4' energy: -26.777
flat angles C4'-P-C4' energy: -23.235
flat angles P-C4'-P energy: -16.896
tors. eta vs tors. theta energy: -11.937
Dist. restrs. and SS energy: 5.190 (S_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: 286
Temperature: 1.200000
Total energy: -303.570320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.570320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.570320 (E_RNA)
where:
Base-Base interactions energy: -221.794
where: short stacking energy: -90.157
Base-Backbone interact. energy: -1.169
local terms energy: -80.607299
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -8.122
flat angles C4'-P-C4' energy: -22.796
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -21.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -264.200192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.200192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.711156 (E_RNA)
where:
Base-Base interactions energy: -169.113
where: short stacking energy: -77.259
Base-Backbone interact. energy: -0.512
local terms energy: -99.085714
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -19.614
flat angles C4'-P-C4' energy: -26.435
flat angles P-C4'-P energy: -16.885
tors. eta vs tors. theta energy: -17.742
Dist. restrs. and SS energy: 4.511 (S_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: 286
Temperature: 1.300000
Total energy: -223.514970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.514970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.394160 (E_RNA)
where:
Base-Base interactions energy: -153.826
where: short stacking energy: -59.640
Base-Backbone interact. energy: -1.864
local terms energy: -71.703635
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -23.663
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -6.945
Dist. restrs. and SS energy: 3.879 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -203.820166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.820166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.856449 (E_RNA)
where:
Base-Base interactions energy: -136.117
where: short stacking energy: -49.957
Base-Backbone interact. energy: -0.171
local terms energy: -68.567906
where:
bonds (distance) C4'-P energy: -21.329
bonds (distance) P-C4' energy: -20.391
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -3.909
Dist. restrs. and SS energy: 1.036 (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: 9
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -368.671263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.671263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.919019 (E_RNA)
where:
Base-Base interactions energy: -245.050
where: short stacking energy: -96.427
Base-Backbone interact. energy: -0.910
local terms energy: -123.959033
where:
bonds (distance) C4'-P energy: -26.859
bonds (distance) P-C4' energy: -24.089
flat angles C4'-P-C4' energy: -24.286
flat angles P-C4'-P energy: -19.621
tors. eta vs tors. theta energy: -29.104
Dist. restrs. and SS energy: 1.248 (S_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: 287
Temperature: 0.950000
Total energy: -355.123700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.123700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.637709 (E_RNA)
where:
Base-Base interactions energy: -244.531
where: short stacking energy: -92.655
Base-Backbone interact. energy: -0.559
local terms energy: -111.547554
where:
bonds (distance) C4'-P energy: -24.818
bonds (distance) P-C4' energy: -24.113
flat angles C4'-P-C4' energy: -21.269
flat angles P-C4'-P energy: -17.789
tors. eta vs tors. theta energy: -23.560
Dist. restrs. and SS energy: 1.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -353.459861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.459861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.047842 (E_RNA)
where:
Base-Base interactions energy: -250.113
where: short stacking energy: -95.574
Base-Backbone interact. energy: -1.681
local terms energy: -102.253260
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -23.281
flat angles C4'-P-C4' energy: -22.465
flat angles P-C4'-P energy: -14.505
tors. eta vs tors. theta energy: -28.816
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: 4, replica: 8
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -350.751674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.751674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.642520 (E_RNA)
where:
Base-Base interactions energy: -246.173
where: short stacking energy: -97.182
Base-Backbone interact. energy: -0.674
local terms energy: -104.794861
where:
bonds (distance) C4'-P energy: -24.701
bonds (distance) P-C4' energy: -18.248
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -13.802
tors. eta vs tors. theta energy: -32.651
Dist. restrs. and SS energy: 0.891 (S_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: 287
Temperature: 1.100000
Total energy: -307.746376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.746376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.289028 (E_RNA)
where:
Base-Base interactions energy: -215.638
where: short stacking energy: -82.080
Base-Backbone interact. energy: -1.607
local terms energy: -92.044134
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -21.739
flat angles C4'-P-C4' energy: -19.433
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: -24.338
Dist. restrs. and SS energy: 1.543 (S_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: 287
Temperature: 1.150000
Total energy: -311.248216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.248216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.784092 (E_RNA)
where:
Base-Base interactions energy: -213.639
where: short stacking energy: -85.004
Base-Backbone interact. energy: -0.874
local terms energy: -97.270541
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -22.988
flat angles C4'-P-C4' energy: -20.755
flat angles P-C4'-P energy: -19.310
tors. eta vs tors. theta energy: -22.491
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: 7, replica: 6
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -260.557129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.557129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.444255 (E_RNA)
where:
Base-Base interactions energy: -167.620
where: short stacking energy: -64.966
Base-Backbone interact. energy: -1.141
local terms energy: -93.683439
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -24.982
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -15.267
tors. eta vs tors. theta energy: -17.307
Dist. restrs. and SS energy: 1.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -256.679193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.679193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.016038 (E_RNA)
where:
Base-Base interactions energy: -171.632
where: short stacking energy: -76.626
Base-Backbone interact. energy: -0.555
local terms energy: -87.829248
where:
bonds (distance) C4'-P energy: -19.816
bonds (distance) P-C4' energy: -23.867
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -18.684
Dist. restrs. and SS energy: 3.337 (S_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: 287
Temperature: 1.300000
Total energy: -236.993995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.993995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.634134 (E_RNA)
where:
Base-Base interactions energy: -159.322
where: short stacking energy: -70.591
Base-Backbone interact. energy: -0.201
local terms energy: -79.111211
where:
bonds (distance) C4'-P energy: -18.894
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -21.171
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -13.600
Dist. restrs. and SS energy: 1.640 (S_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: 287
Temperature: 1.350000
Total energy: -203.699620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.699620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.858374 (E_RNA)
where:
Base-Base interactions energy: -130.391
where: short stacking energy: -62.597
Base-Backbone interact. energy: -0.605
local terms energy: -76.863278
where:
bonds (distance) C4'-P energy: -9.417
bonds (distance) P-C4' energy: -23.758
flat angles C4'-P-C4' energy: -18.426
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -12.499
Dist. restrs. and SS energy: 4.159 (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: 9
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -362.532498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.532498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.177679 (E_RNA)
where:
Base-Base interactions energy: -246.326
where: short stacking energy: -98.917
Base-Backbone interact. energy: -0.941
local terms energy: -116.910557
where:
bonds (distance) C4'-P energy: -21.248
bonds (distance) P-C4' energy: -25.067
flat angles C4'-P-C4' energy: -23.951
flat angles P-C4'-P energy: -17.755
tors. eta vs tors. theta energy: -28.889
Dist. restrs. and SS energy: 1.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -346.657971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.657971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.779517 (E_RNA)
where:
Base-Base interactions energy: -243.006
where: short stacking energy: -101.915
Base-Backbone interact. energy: -0.504
local terms energy: -103.269145
where:
bonds (distance) C4'-P energy: -24.305
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -19.532
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -27.422
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: -351.338847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.338847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.558158 (E_RNA)
where:
Base-Base interactions energy: -235.294
where: short stacking energy: -94.738
Base-Backbone interact. energy: -0.923
local terms energy: -116.341059
where:
bonds (distance) C4'-P energy: -22.044
bonds (distance) P-C4' energy: -24.266
flat angles C4'-P-C4' energy: -24.261
flat angles P-C4'-P energy: -15.737
tors. eta vs tors. theta energy: -30.034
Dist. restrs. and SS energy: 1.219 (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: 288
Temperature: 1.050000
Total energy: -340.658856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.658856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.716371 (E_RNA)
where:
Base-Base interactions energy: -241.729
where: short stacking energy: -91.626
Base-Backbone interact. energy: -1.272
local terms energy: -98.715734
where:
bonds (distance) C4'-P energy: -13.765
bonds (distance) P-C4' energy: -22.845
flat angles C4'-P-C4' energy: -21.918
flat angles P-C4'-P energy: -13.638
tors. eta vs tors. theta energy: -26.550
Dist. restrs. and SS energy: 1.058 (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: 7
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -308.797825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.797825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.209530 (E_RNA)
where:
Base-Base interactions energy: -219.515
where: short stacking energy: -81.356
Base-Backbone interact. energy: -1.632
local terms energy: -88.061722
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -20.106
flat angles P-C4'-P energy: -15.273
tors. eta vs tors. theta energy: -18.700
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: 2
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -291.259873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.259873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.400932 (E_RNA)
where:
Base-Base interactions energy: -206.789
where: short stacking energy: -75.818
Base-Backbone interact. energy: 3.187
local terms energy: -88.799343
where:
bonds (distance) C4'-P energy: -19.422
bonds (distance) P-C4' energy: -23.536
flat angles C4'-P-C4' energy: -19.087
flat angles P-C4'-P energy: -13.689
tors. eta vs tors. theta energy: -13.065
Dist. restrs. and SS energy: 1.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -279.139578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.139578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.475727 (E_RNA)
where:
Base-Base interactions energy: -191.506
where: short stacking energy: -79.934
Base-Backbone interact. energy: -0.604
local terms energy: -88.365385
where:
bonds (distance) C4'-P energy: -23.561
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -22.964
Dist. restrs. and SS energy: 1.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -250.795810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.795810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.601468 (E_RNA)
where:
Base-Base interactions energy: -177.324
where: short stacking energy: -68.829
Base-Backbone interact. energy: -0.256
local terms energy: -74.021998
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -15.612
Dist. restrs. and SS energy: 0.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -206.981767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.981767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.722607 (E_RNA)
where:
Base-Base interactions energy: -130.623
where: short stacking energy: -53.706
Base-Backbone interact. energy: 1.410
local terms energy: -78.509626
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -22.200
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -14.302
tors. eta vs tors. theta energy: -9.717
Dist. restrs. and SS energy: 0.741 (S_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: 288
Temperature: 1.350000
Total energy: -225.164923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.164923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.260365 (E_RNA)
where:
Base-Base interactions energy: -144.547
where: short stacking energy: -65.799
Base-Backbone interact. energy: -0.790
local terms energy: -81.922414
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -21.552
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -15.356
Dist. restrs. and SS energy: 2.095 (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: 9
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -364.412864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.412864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.970091 (E_RNA)
where:
Base-Base interactions energy: -247.329
where: short stacking energy: -94.644
Base-Backbone interact. energy: -0.504
local terms energy: -118.137177
where:
bonds (distance) C4'-P energy: -27.104
bonds (distance) P-C4' energy: -21.295
flat angles C4'-P-C4' energy: -22.328
flat angles P-C4'-P energy: -17.900
tors. eta vs tors. theta energy: -29.511
Dist. restrs. and SS energy: 1.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -353.898162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.898162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.338737 (E_RNA)
where:
Base-Base interactions energy: -243.814
where: short stacking energy: -92.533
Base-Backbone interact. energy: -0.705
local terms energy: -110.819262
where:
bonds (distance) C4'-P energy: -25.140
bonds (distance) P-C4' energy: -25.538
flat angles C4'-P-C4' energy: -21.361
flat angles P-C4'-P energy: -14.440
tors. eta vs tors. theta energy: -24.340
Dist. restrs. and SS energy: 1.441 (S_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: -361.024934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.024934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.777384 (E_RNA)
where:
Base-Base interactions energy: -254.736
where: short stacking energy: -87.169
Base-Backbone interact. energy: 0.315
local terms energy: -107.356173
where:
bonds (distance) C4'-P energy: -22.453
bonds (distance) P-C4' energy: -22.040
flat angles C4'-P-C4' energy: -21.746
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -28.466
Dist. restrs. and SS energy: 0.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -358.580623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.580623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.925577 (E_RNA)
where:
Base-Base interactions energy: -249.728
where: short stacking energy: -104.635
Base-Backbone interact. energy: -0.386
local terms energy: -109.811816
where:
bonds (distance) C4'-P energy: -19.768
bonds (distance) P-C4' energy: -20.661
flat angles C4'-P-C4' energy: -23.681
flat angles P-C4'-P energy: -16.641
tors. eta vs tors. theta energy: -29.062
Dist. restrs. and SS energy: 1.345 (S_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: -294.232720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.232720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.429653 (E_RNA)
where:
Base-Base interactions energy: -205.871
where: short stacking energy: -83.565
Base-Backbone interact. energy: -1.131
local terms energy: -87.427718
where:
bonds (distance) C4'-P energy: -19.780
bonds (distance) P-C4' energy: -19.218
flat angles C4'-P-C4' energy: -20.914
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -17.144
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: 6, replica: 6
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -280.109845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.109845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.947792 (E_RNA)
where:
Base-Base interactions energy: -196.322
where: short stacking energy: -79.206
Base-Backbone interact. energy: -1.193
local terms energy: -84.432689
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -21.724
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -18.822
Dist. restrs. and SS energy: 1.838 (S_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: 289
Temperature: 1.200000
Total energy: -314.300418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.300418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.137672 (E_RNA)
where:
Base-Base interactions energy: -227.824
where: short stacking energy: -95.179
Base-Backbone interact. energy: 0.881
local terms energy: -88.194844
where:
bonds (distance) C4'-P energy: -19.076
bonds (distance) P-C4' energy: -16.965
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -23.130
Dist. restrs. and SS energy: 0.837 (S_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: 289
Temperature: 1.250000
Total energy: -207.994263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.994263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.473484 (E_RNA)
where:
Base-Base interactions energy: -130.380
where: short stacking energy: -52.386
Base-Backbone interact. energy: 0.470
local terms energy: -79.564169
where:
bonds (distance) C4'-P energy: -18.856
bonds (distance) P-C4' energy: -21.785
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -14.505
tors. eta vs tors. theta energy: -6.254
Dist. restrs. and SS energy: 1.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -248.868407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.868407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.222849 (E_RNA)
where:
Base-Base interactions energy: -168.535
where: short stacking energy: -79.433
Base-Backbone interact. energy: 0.848
local terms energy: -86.535305
where:
bonds (distance) C4'-P energy: -20.064
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -21.996
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -16.390
Dist. restrs. and SS energy: 5.354 (S_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: 289
Temperature: 1.350000
Total energy: -238.476706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.476706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.835468 (E_RNA)
where:
Base-Base interactions energy: -164.957
where: short stacking energy: -52.261
Base-Backbone interact. energy: -0.367
local terms energy: -75.511435
where:
bonds (distance) C4'-P energy: -16.753
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -18.304
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -9.819
Dist. restrs. and SS energy: 2.359 (S_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: -381.839805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.839805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.823333 (E_RNA)
where:
Base-Base interactions energy: -266.748
where: short stacking energy: -106.474
Base-Backbone interact. energy: 0.807
local terms energy: -116.882372
where:
bonds (distance) C4'-P energy: -22.877
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -24.811
flat angles P-C4'-P energy: -17.815
tors. eta vs tors. theta energy: -32.245
Dist. restrs. and SS energy: 0.984 (S_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: 290
Temperature: 0.950000
Total energy: -361.864204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.864204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.837079 (E_RNA)
where:
Base-Base interactions energy: -246.238
where: short stacking energy: -108.359
Base-Backbone interact. energy: -0.543
local terms energy: -117.055598
where:
bonds (distance) C4'-P energy: -25.982
bonds (distance) P-C4' energy: -24.564
flat angles C4'-P-C4' energy: -22.284
flat angles P-C4'-P energy: -17.150
tors. eta vs tors. theta energy: -27.076
Dist. restrs. and SS energy: 1.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -366.862077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.862077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.914507 (E_RNA)
where:
Base-Base interactions energy: -266.416
where: short stacking energy: -104.415
Base-Backbone interact. energy: 2.434
local terms energy: -103.932411
where:
bonds (distance) C4'-P energy: -18.733
bonds (distance) P-C4' energy: -22.517
flat angles C4'-P-C4' energy: -23.381
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -25.885
Dist. restrs. and SS energy: 1.052 (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: 8
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -349.512141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.512141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.620964 (E_RNA)
where:
Base-Base interactions energy: -243.365
where: short stacking energy: -81.613
Base-Backbone interact. energy: -0.091
local terms energy: -107.164522
where:
bonds (distance) C4'-P energy: -22.778
bonds (distance) P-C4' energy: -19.709
flat angles C4'-P-C4' energy: -21.121
flat angles P-C4'-P energy: -17.074
tors. eta vs tors. theta energy: -26.483
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: 5, replica: 7
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -294.331389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.331389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.407393 (E_RNA)
where:
Base-Base interactions energy: -195.735
where: short stacking energy: -72.706
Base-Backbone interact. energy: -1.302
local terms energy: -99.370021
where:
bonds (distance) C4'-P energy: -18.914
bonds (distance) P-C4' energy: -23.376
flat angles C4'-P-C4' energy: -25.925
flat angles P-C4'-P energy: -16.760
tors. eta vs tors. theta energy: -14.395
Dist. restrs. and SS energy: 2.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -271.991765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.991765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.881559 (E_RNA)
where:
Base-Base interactions energy: -187.091
where: short stacking energy: -86.997
Base-Backbone interact. energy: -0.608
local terms energy: -90.181987
where:
bonds (distance) C4'-P energy: -19.134
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -21.909
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -23.935
Dist. restrs. and SS energy: 5.890 (S_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: -268.099542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.099542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.479070 (E_RNA)
where:
Base-Base interactions energy: -185.004
where: short stacking energy: -54.247
Base-Backbone interact. energy: -0.311
local terms energy: -83.163733
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -25.035
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -16.743
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: 3
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -219.043031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.043031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.760893 (E_RNA)
where:
Base-Base interactions energy: -138.830
where: short stacking energy: -59.097
Base-Backbone interact. energy: -0.437
local terms energy: -81.493702
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -20.752
flat angles C4'-P-C4' energy: -24.194
flat angles P-C4'-P energy: -13.893
tors. eta vs tors. theta energy: -10.350
Dist. restrs. and SS energy: 1.718 (S_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: 290
Temperature: 1.300000
Total energy: -240.862628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.862628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.220655 (E_RNA)
where:
Base-Base interactions energy: -158.331
where: short stacking energy: -59.809
Base-Backbone interact. energy: 0.024
local terms energy: -83.912994
where:
bonds (distance) C4'-P energy: -17.842
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -21.448
flat angles P-C4'-P energy: -15.330
tors. eta vs tors. theta energy: -15.958
Dist. restrs. and SS energy: 1.358 (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: 5
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -224.450761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.450761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.135902 (E_RNA)
where:
Base-Base interactions energy: -168.582
where: short stacking energy: -73.675
Base-Backbone interact. energy: -1.027
local terms energy: -60.526816
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -8.261
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -5.987
tors. eta vs tors. theta energy: -15.241
Dist. restrs. and SS energy: 5.685 (S_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: -372.989049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.989049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.826016 (E_RNA)
where:
Base-Base interactions energy: -264.444
where: short stacking energy: -96.354
Base-Backbone interact. energy: -0.140
local terms energy: -109.241939
where:
bonds (distance) C4'-P energy: -25.584
bonds (distance) P-C4' energy: -19.427
flat angles C4'-P-C4' energy: -19.571
flat angles P-C4'-P energy: -17.676
tors. eta vs tors. theta energy: -26.984
Dist. restrs. and SS energy: 0.837 (S_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: 291
Temperature: 0.950000
Total energy: -358.589124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.589124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.345024 (E_RNA)
where:
Base-Base interactions energy: -238.718
where: short stacking energy: -98.974
Base-Backbone interact. energy: -0.876
local terms energy: -119.751887
where:
bonds (distance) C4'-P energy: -21.245
bonds (distance) P-C4' energy: -23.793
flat angles C4'-P-C4' energy: -26.262
flat angles P-C4'-P energy: -19.478
tors. eta vs tors. theta energy: -28.974
Dist. restrs. and SS energy: 0.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -360.109320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.109320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.244229 (E_RNA)
where:
Base-Base interactions energy: -250.073
where: short stacking energy: -96.124
Base-Backbone interact. energy: -0.714
local terms energy: -110.457556
where:
bonds (distance) C4'-P energy: -22.192
bonds (distance) P-C4' energy: -23.059
flat angles C4'-P-C4' energy: -23.447
flat angles P-C4'-P energy: -14.090
tors. eta vs tors. theta energy: -27.669
Dist. restrs. and SS energy: 1.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -341.173201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.173201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.025439 (E_RNA)
where:
Base-Base interactions energy: -242.842
where: short stacking energy: -97.135
Base-Backbone interact. energy: -1.093
local terms energy: -98.089655
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -19.987
flat angles C4'-P-C4' energy: -19.746
flat angles P-C4'-P energy: -18.900
tors. eta vs tors. theta energy: -27.667
Dist. restrs. and SS energy: 0.852 (S_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: 291
Temperature: 1.100000
Total energy: -303.595600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.595600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.089808 (E_RNA)
where:
Base-Base interactions energy: -220.052
where: short stacking energy: -92.420
Base-Backbone interact. energy: -1.399
local terms energy: -83.638756
where:
bonds (distance) C4'-P energy: -21.341
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -14.948
tors. eta vs tors. theta energy: -13.724
Dist. restrs. and SS energy: 1.494 (S_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: -307.836669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.836669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.872609 (E_RNA)
where:
Base-Base interactions energy: -211.736
where: short stacking energy: -80.459
Base-Backbone interact. energy: -0.964
local terms energy: -95.172618
where:
bonds (distance) C4'-P energy: -18.152
bonds (distance) P-C4' energy: -19.308
flat angles C4'-P-C4' energy: -20.947
flat angles P-C4'-P energy: -18.277
tors. eta vs tors. theta energy: -18.489
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: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -263.629119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.629119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.258748 (E_RNA)
where:
Base-Base interactions energy: -184.820
where: short stacking energy: -78.647
Base-Backbone interact. energy: -0.139
local terms energy: -80.300068
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -16.288
flat angles C4'-P-C4' energy: -21.975
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -18.823
Dist. restrs. and SS energy: 1.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -233.574909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.574909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.617132 (E_RNA)
where:
Base-Base interactions energy: -154.757
where: short stacking energy: -56.678
Base-Backbone interact. energy: -0.597
local terms energy: -78.262955
where:
bonds (distance) C4'-P energy: -19.511
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -21.002
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -9.584
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: 10
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -253.352988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.352988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.121230 (E_RNA)
where:
Base-Base interactions energy: -159.544
where: short stacking energy: -63.110
Base-Backbone interact. energy: 0.523
local terms energy: -95.100576
where:
bonds (distance) C4'-P energy: -19.578
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -25.445
flat angles P-C4'-P energy: -13.893
tors. eta vs tors. theta energy: -18.629
Dist. restrs. and SS energy: 0.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -209.513416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.513416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.354878 (E_RNA)
where:
Base-Base interactions energy: -142.890
where: short stacking energy: -52.545
Base-Backbone interact. energy: -0.020
local terms energy: -73.444919
where:
bonds (distance) C4'-P energy: -22.632
bonds (distance) P-C4' energy: -21.279
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -4.576
Dist. restrs. and SS energy: 6.841 (S_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: 292
Temperature: 0.900000
Total energy: -369.817399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.817399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.060588 (E_RNA)
where:
Base-Base interactions energy: -256.807
where: short stacking energy: -99.587
Base-Backbone interact. energy: -0.405
local terms energy: -112.848330
where:
bonds (distance) C4'-P energy: -21.661
bonds (distance) P-C4' energy: -21.615
flat angles C4'-P-C4' energy: -23.225
flat angles P-C4'-P energy: -18.526
tors. eta vs tors. theta energy: -27.822
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: 2, replica: 4
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -376.393347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.393347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.334546 (E_RNA)
where:
Base-Base interactions energy: -263.534
where: short stacking energy: -92.475
Base-Backbone interact. energy: -0.796
local terms energy: -113.003623
where:
bonds (distance) C4'-P energy: -22.949
bonds (distance) P-C4' energy: -23.251
flat angles C4'-P-C4' energy: -23.397
flat angles P-C4'-P energy: -16.587
tors. eta vs tors. theta energy: -26.819
Dist. restrs. and SS energy: 0.941 (S_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: 292
Temperature: 1.000000
Total energy: -359.060710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.060710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.148582 (E_RNA)
where:
Base-Base interactions energy: -258.583
where: short stacking energy: -100.847
Base-Backbone interact. energy: -0.482
local terms energy: -101.083611
where:
bonds (distance) C4'-P energy: -17.089
bonds (distance) P-C4' energy: -19.969
flat angles C4'-P-C4' energy: -24.869
flat angles P-C4'-P energy: -14.551
tors. eta vs tors. theta energy: -24.607
Dist. restrs. and SS energy: 1.088 (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: 8
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -345.367954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.367954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.652372 (E_RNA)
where:
Base-Base interactions energy: -242.941
where: short stacking energy: -96.792
Base-Backbone interact. energy: -1.119
local terms energy: -102.592475
where:
bonds (distance) C4'-P energy: -18.327
bonds (distance) P-C4' energy: -21.972
flat angles C4'-P-C4' energy: -20.442
flat angles P-C4'-P energy: -13.391
tors. eta vs tors. theta energy: -28.460
Dist. restrs. and SS energy: 1.284 (S_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: -310.298875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.298875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.566831 (E_RNA)
where:
Base-Base interactions energy: -225.056
where: short stacking energy: -86.121
Base-Backbone interact. energy: -0.900
local terms energy: -84.611230
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -22.971
flat angles C4'-P-C4' energy: -18.922
flat angles P-C4'-P energy: -7.525
tors. eta vs tors. theta energy: -20.452
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: 7
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -304.404814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.404814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.432902 (E_RNA)
where:
Base-Base interactions energy: -206.257
where: short stacking energy: -78.334
Base-Backbone interact. energy: -0.905
local terms energy: -97.271153
where:
bonds (distance) C4'-P energy: -19.477
bonds (distance) P-C4' energy: -20.585
flat angles C4'-P-C4' energy: -22.975
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -20.290
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: 3
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -224.051183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.051183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.134249 (E_RNA)
where:
Base-Base interactions energy: -149.449
where: short stacking energy: -63.823
Base-Backbone interact. energy: -1.787
local terms energy: -73.898476
where:
bonds (distance) C4'-P energy: -18.221
bonds (distance) P-C4' energy: -17.515
flat angles C4'-P-C4' energy: -20.417
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -6.416
Dist. restrs. and SS energy: 1.083 (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: 292
Temperature: 1.250000
Total energy: -251.418104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.418104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.193528 (E_RNA)
where:
Base-Base interactions energy: -166.709
where: short stacking energy: -59.353
Base-Backbone interact. energy: 0.574
local terms energy: -87.059327
where:
bonds (distance) C4'-P energy: -17.900
bonds (distance) P-C4' energy: -19.820
flat angles C4'-P-C4' energy: -22.552
flat angles P-C4'-P energy: -15.161
tors. eta vs tors. theta energy: -11.626
Dist. restrs. and SS energy: 1.775 (S_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: 292
Temperature: 1.300000
Total energy: -253.552477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.552477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.607793 (E_RNA)
where:
Base-Base interactions energy: -181.376
where: short stacking energy: -75.557
Base-Backbone interact. energy: -0.486
local terms energy: -73.745615
where:
bonds (distance) C4'-P energy: -18.619
bonds (distance) P-C4' energy: -23.280
flat angles C4'-P-C4' energy: -11.122
flat angles P-C4'-P energy: -5.133
tors. eta vs tors. theta energy: -15.592
Dist. restrs. and SS energy: 2.055 (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: 292
Temperature: 1.350000
Total energy: -232.331840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.331840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.709790 (E_RNA)
where:
Base-Base interactions energy: -152.791
where: short stacking energy: -62.639
Base-Backbone interact. energy: -0.229
local terms energy: -81.690070
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -22.506
flat angles C4'-P-C4' energy: -19.172
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -13.093
Dist. restrs. and SS energy: 2.378 (S_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: 293
Temperature: 0.900000
Total energy: -368.899878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.899878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.185049 (E_RNA)
where:
Base-Base interactions energy: -252.060
where: short stacking energy: -96.047
Base-Backbone interact. energy: -0.283
local terms energy: -117.842492
where:
bonds (distance) C4'-P energy: -21.263
bonds (distance) P-C4' energy: -23.877
flat angles C4'-P-C4' energy: -24.881
flat angles P-C4'-P energy: -21.257
tors. eta vs tors. theta energy: -26.566
Dist. restrs. and SS energy: 1.285 (S_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: 293
Temperature: 0.950000
Total energy: -361.942836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.942836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.358223 (E_RNA)
where:
Base-Base interactions energy: -245.805
where: short stacking energy: -92.112
Base-Backbone interact. energy: -1.946
local terms energy: -114.607652
where:
bonds (distance) C4'-P energy: -25.001
bonds (distance) P-C4' energy: -19.814
flat angles C4'-P-C4' energy: -22.677
flat angles P-C4'-P energy: -19.139
tors. eta vs tors. theta energy: -27.977
Dist. restrs. and SS energy: 0.415 (S_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: 293
Temperature: 1.000000
Total energy: -350.410017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.410017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.064976 (E_RNA)
where:
Base-Base interactions energy: -244.709
where: short stacking energy: -95.432
Base-Backbone interact. energy: -0.501
local terms energy: -106.854933
where:
bonds (distance) C4'-P energy: -17.742
bonds (distance) P-C4' energy: -25.416
flat angles C4'-P-C4' energy: -21.323
flat angles P-C4'-P energy: -12.942
tors. eta vs tors. theta energy: -29.432
Dist. restrs. and SS energy: 1.655 (S_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: 293
Temperature: 1.050000
Total energy: -346.163287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.163287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.085428 (E_RNA)
where:
Base-Base interactions energy: -243.923
where: short stacking energy: -89.527
Base-Backbone interact. energy: -0.737
local terms energy: -102.425858
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -21.824
flat angles C4'-P-C4' energy: -24.038
flat angles P-C4'-P energy: -16.714
tors. eta vs tors. theta energy: -22.318
Dist. restrs. and SS energy: 0.922 (S_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: -318.286857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.286857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.291488 (E_RNA)
where:
Base-Base interactions energy: -219.988
where: short stacking energy: -81.764
Base-Backbone interact. energy: 0.630
local terms energy: -98.933495
where:
bonds (distance) C4'-P energy: -20.184
bonds (distance) P-C4' energy: -25.328
flat angles C4'-P-C4' energy: -22.787
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -18.087
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: 293
Temperature: 1.150000
Total energy: -305.940297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.940297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.169720 (E_RNA)
where:
Base-Base interactions energy: -203.776
where: short stacking energy: -82.263
Base-Backbone interact. energy: -0.504
local terms energy: -101.889520
where:
bonds (distance) C4'-P energy: -20.769
bonds (distance) P-C4' energy: -21.504
flat angles C4'-P-C4' energy: -20.908
flat angles P-C4'-P energy: -15.352
tors. eta vs tors. theta energy: -23.358
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: 7, replica: 3
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -265.662429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.662429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.708660 (E_RNA)
where:
Base-Base interactions energy: -180.648
where: short stacking energy: -66.984
Base-Backbone interact. energy: -0.541
local terms energy: -84.519734
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -21.736
flat angles C4'-P-C4' energy: -21.998
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -16.622
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: 8, replica: 10
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -244.254318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.254318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.988749 (E_RNA)
where:
Base-Base interactions energy: -148.712
where: short stacking energy: -61.838
Base-Backbone interact. energy: -0.594
local terms energy: -97.682014
where:
bonds (distance) C4'-P energy: -19.560
bonds (distance) P-C4' energy: -27.157
flat angles C4'-P-C4' energy: -25.227
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -13.605
Dist. restrs. and SS energy: 2.734 (S_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: 293
Temperature: 1.300000
Total energy: -258.917280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.917280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.658471 (E_RNA)
where:
Base-Base interactions energy: -174.913
where: short stacking energy: -67.051
Base-Backbone interact. energy: -0.268
local terms energy: -85.477641
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -17.575
flat angles C4'-P-C4' energy: -23.015
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -19.257
Dist. restrs. and SS energy: 1.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -218.194341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.194341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.154115 (E_RNA)
where:
Base-Base interactions energy: -147.659
where: short stacking energy: -65.294
Base-Backbone interact. energy: -0.447
local terms energy: -80.048713
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -12.797
flat angles C4'-P-C4' energy: -22.030
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -13.014
Dist. restrs. and SS energy: 9.960 (S_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: -368.044583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.044583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.070799 (E_RNA)
where:
Base-Base interactions energy: -253.439
where: short stacking energy: -99.002
Base-Backbone interact. energy: 1.453
local terms energy: -116.084431
where:
bonds (distance) C4'-P energy: -21.697
bonds (distance) P-C4' energy: -21.854
flat angles C4'-P-C4' energy: -23.106
flat angles P-C4'-P energy: -17.773
tors. eta vs tors. theta energy: -31.655
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: 1
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -355.100318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.100318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.007352 (E_RNA)
where:
Base-Base interactions energy: -249.773
where: short stacking energy: -94.722
Base-Backbone interact. energy: 0.028
local terms energy: -106.262237
where:
bonds (distance) C4'-P energy: -21.018
bonds (distance) P-C4' energy: -23.812
flat angles C4'-P-C4' energy: -22.811
flat angles P-C4'-P energy: -13.878
tors. eta vs tors. theta energy: -24.742
Dist. restrs. and SS energy: 0.907 (S_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: 294
Temperature: 1.000000
Total energy: -352.140933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.140933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.009568 (E_RNA)
where:
Base-Base interactions energy: -243.455
where: short stacking energy: -95.814
Base-Backbone interact. energy: 2.045
local terms energy: -112.598929
where:
bonds (distance) C4'-P energy: -17.863
bonds (distance) P-C4' energy: -22.787
flat angles C4'-P-C4' energy: -26.962
flat angles P-C4'-P energy: -19.959
tors. eta vs tors. theta energy: -25.028
Dist. restrs. and SS energy: 1.869 (S_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: 294
Temperature: 1.050000
Total energy: -343.475842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.475842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.704047 (E_RNA)
where:
Base-Base interactions energy: -237.770
where: short stacking energy: -84.932
Base-Backbone interact. energy: 0.397
local terms energy: -107.331020
where:
bonds (distance) C4'-P energy: -25.684
bonds (distance) P-C4' energy: -22.401
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -16.534
tors. eta vs tors. theta energy: -25.024
Dist. restrs. and SS energy: 1.228 (S_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: 294
Temperature: 1.100000
Total energy: -333.314496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.314496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.945432 (E_RNA)
where:
Base-Base interactions energy: -232.307
where: short stacking energy: -91.343
Base-Backbone interact. energy: -0.446
local terms energy: -102.192009
where:
bonds (distance) C4'-P energy: -21.751
bonds (distance) P-C4' energy: -20.123
flat angles C4'-P-C4' energy: -20.545
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -27.289
Dist. restrs. and SS energy: 1.631 (S_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: 294
Temperature: 1.150000
Total energy: -308.301139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.301139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.301139 (E_RNA)
where:
Base-Base interactions energy: -199.989
where: short stacking energy: -81.116
Base-Backbone interact. energy: 2.857
local terms energy: -111.169239
where:
bonds (distance) C4'-P energy: -22.173
bonds (distance) P-C4' energy: -20.886
flat angles C4'-P-C4' energy: -22.044
flat angles P-C4'-P energy: -21.121
tors. eta vs tors. theta energy: -24.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -278.729777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.729777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.878459 (E_RNA)
where:
Base-Base interactions energy: -179.586
where: short stacking energy: -73.758
Base-Backbone interact. energy: -0.002
local terms energy: -99.289959
where:
bonds (distance) C4'-P energy: -26.474
bonds (distance) P-C4' energy: -25.130
flat angles C4'-P-C4' energy: -18.662
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -16.810
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: 8, replica: 10
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -240.257716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.257716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.140860 (E_RNA)
where:
Base-Base interactions energy: -150.762
where: short stacking energy: -70.864
Base-Backbone interact. energy: -0.513
local terms energy: -93.866612
where:
bonds (distance) C4'-P energy: -20.094
bonds (distance) P-C4' energy: -19.245
flat angles C4'-P-C4' energy: -19.403
flat angles P-C4'-P energy: -17.990
tors. eta vs tors. theta energy: -17.134
Dist. restrs. and SS energy: 4.883 (S_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: 294
Temperature: 1.300000
Total energy: -228.541057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.541057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.577238 (E_RNA)
where:
Base-Base interactions energy: -144.623
where: short stacking energy: -51.213
Base-Backbone interact. energy: -1.144
local terms energy: -83.810860
where:
bonds (distance) C4'-P energy: -22.367
bonds (distance) P-C4' energy: -20.503
flat angles C4'-P-C4' energy: -22.125
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -6.618
Dist. restrs. and SS energy: 1.036 (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: 6
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -243.172085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.172085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.556965 (E_RNA)
where:
Base-Base interactions energy: -162.797
where: short stacking energy: -58.879
Base-Backbone interact. energy: -0.576
local terms energy: -83.184457
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -16.606
flat angles C4'-P-C4' energy: -19.146
flat angles P-C4'-P energy: -3.616
tors. eta vs tors. theta energy: -26.391
Dist. restrs. and SS energy: 3.385 (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: 295
Temperature: 0.900000
Total energy: -367.793052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.793052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.405472 (E_RNA)
where:
Base-Base interactions energy: -253.934
where: short stacking energy: -98.640
Base-Backbone interact. energy: -1.760
local terms energy: -112.712102
where:
bonds (distance) C4'-P energy: -19.691
bonds (distance) P-C4' energy: -23.085
flat angles C4'-P-C4' energy: -23.154
flat angles P-C4'-P energy: -16.984
tors. eta vs tors. theta energy: -29.798
Dist. restrs. and SS energy: 0.612 (S_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: 295
Temperature: 0.950000
Total energy: -355.569764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.569764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.609742 (E_RNA)
where:
Base-Base interactions energy: -245.238
where: short stacking energy: -93.909
Base-Backbone interact. energy: -1.346
local terms energy: -109.025521
where:
bonds (distance) C4'-P energy: -24.143
bonds (distance) P-C4' energy: -18.201
flat angles C4'-P-C4' energy: -26.012
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -27.431
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: 295
Temperature: 1.000000
Total energy: -332.296050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.296050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.161273 (E_RNA)
where:
Base-Base interactions energy: -242.721
where: short stacking energy: -93.209
Base-Backbone interact. energy: -0.843
local terms energy: -89.597792
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -21.428
flat angles C4'-P-C4' energy: -20.339
flat angles P-C4'-P energy: -13.206
tors. eta vs tors. theta energy: -21.231
Dist. restrs. and SS energy: 0.865 (S_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: 295
Temperature: 1.050000
Total energy: -347.940732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.940732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.030750 (E_RNA)
where:
Base-Base interactions energy: -239.369
where: short stacking energy: -92.709
Base-Backbone interact. energy: -0.791
local terms energy: -107.870396
where:
bonds (distance) C4'-P energy: -22.528
bonds (distance) P-C4' energy: -25.907
flat angles C4'-P-C4' energy: -19.925
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -26.729
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: 5, replica: 8
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -333.181539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.181539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.913464 (E_RNA)
where:
Base-Base interactions energy: -243.147
where: short stacking energy: -102.359
Base-Backbone interact. energy: -0.444
local terms energy: -90.322510
where:
bonds (distance) C4'-P energy: -21.570
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -22.197
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -25.749
Dist. restrs. and SS energy: 0.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -316.344069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.344069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.462642 (E_RNA)
where:
Base-Base interactions energy: -207.082
where: short stacking energy: -95.191
Base-Backbone interact. energy: -0.237
local terms energy: -109.143824
where:
bonds (distance) C4'-P energy: -23.710
bonds (distance) P-C4' energy: -23.196
flat angles C4'-P-C4' energy: -23.966
flat angles P-C4'-P energy: -19.632
tors. eta vs tors. theta energy: -18.640
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: 3
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -270.469200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.469200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.013851 (E_RNA)
where:
Base-Base interactions energy: -196.205
where: short stacking energy: -71.321
Base-Backbone interact. energy: -0.030
local terms energy: -74.778734
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -10.196
flat angles P-C4'-P energy: -17.387
tors. eta vs tors. theta energy: -10.420
Dist. restrs. and SS energy: 0.545 (S_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: 295
Temperature: 1.250000
Total energy: -234.738101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.738101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.832630 (E_RNA)
where:
Base-Base interactions energy: -160.156
where: short stacking energy: -73.301
Base-Backbone interact. energy: -0.696
local terms energy: -76.980614
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -22.210
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -14.912
Dist. restrs. and SS energy: 3.095 (S_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: 295
Temperature: 1.300000
Total energy: -219.934387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.934387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.360682 (E_RNA)
where:
Base-Base interactions energy: -137.464
where: short stacking energy: -51.166
Base-Backbone interact. energy: -0.298
local terms energy: -84.598931
where:
bonds (distance) C4'-P energy: -23.250
bonds (distance) P-C4' energy: -17.642
flat angles C4'-P-C4' energy: -18.062
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -12.443
Dist. restrs. and SS energy: 2.426 (S_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: 295
Temperature: 1.350000
Total energy: -226.682022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.682022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.200236 (E_RNA)
where:
Base-Base interactions energy: -151.634
where: short stacking energy: -60.891
Base-Backbone interact. energy: 0.133
local terms energy: -79.699008
where:
bonds (distance) C4'-P energy: -18.317
bonds (distance) P-C4' energy: -24.477
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -8.045
Dist. restrs. and SS energy: 4.518 (S_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: 296
Temperature: 0.900000
Total energy: -369.162960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.162960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.774040 (E_RNA)
where:
Base-Base interactions energy: -268.011
where: short stacking energy: -92.013
Base-Backbone interact. energy: 0.340
local terms energy: -102.102162
where:
bonds (distance) C4'-P energy: -21.551
bonds (distance) P-C4' energy: -21.141
flat angles C4'-P-C4' energy: -20.410
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -24.755
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: 2, replica: 4
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -359.276146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.276146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.578175 (E_RNA)
where:
Base-Base interactions energy: -255.667
where: short stacking energy: -94.320
Base-Backbone interact. energy: 0.267
local terms energy: -105.177500
where:
bonds (distance) C4'-P energy: -24.134
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -14.943
tors. eta vs tors. theta energy: -29.443
Dist. restrs. and SS energy: 1.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -346.004666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.004666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.847992 (E_RNA)
where:
Base-Base interactions energy: -250.622
where: short stacking energy: -98.057
Base-Backbone interact. energy: -0.463
local terms energy: -95.762508
where:
bonds (distance) C4'-P energy: -19.602
bonds (distance) P-C4' energy: -20.338
flat angles C4'-P-C4' energy: -21.039
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -25.283
Dist. restrs. and SS energy: 0.843 (S_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: 296
Temperature: 1.050000
Total energy: -337.862418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.862418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.995493 (E_RNA)
where:
Base-Base interactions energy: -240.956
where: short stacking energy: -99.220
Base-Backbone interact. energy: -0.563
local terms energy: -97.476895
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -20.704
flat angles P-C4'-P energy: -14.225
tors. eta vs tors. theta energy: -29.235
Dist. restrs. and SS energy: 1.133 (S_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: -307.111825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.111825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.316547 (E_RNA)
where:
Base-Base interactions energy: -205.345
where: short stacking energy: -94.575
Base-Backbone interact. energy: -0.927
local terms energy: -101.044838
where:
bonds (distance) C4'-P energy: -20.484
bonds (distance) P-C4' energy: -23.134
flat angles C4'-P-C4' energy: -20.618
flat angles P-C4'-P energy: -17.329
tors. eta vs tors. theta energy: -19.479
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: 8
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -331.132365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.132365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.229784 (E_RNA)
where:
Base-Base interactions energy: -223.184
where: short stacking energy: -85.245
Base-Backbone interact. energy: -0.759
local terms energy: -107.286994
where:
bonds (distance) C4'-P energy: -20.480
bonds (distance) P-C4' energy: -22.390
flat angles C4'-P-C4' energy: -20.827
flat angles P-C4'-P energy: -18.053
tors. eta vs tors. theta energy: -25.537
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: 10
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -243.285336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.285336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.246435 (E_RNA)
where:
Base-Base interactions energy: -159.491
where: short stacking energy: -69.798
Base-Backbone interact. energy: -0.638
local terms energy: -84.116925
where:
bonds (distance) C4'-P energy: -16.600
bonds (distance) P-C4' energy: -23.321
flat angles C4'-P-C4' energy: -20.570
flat angles P-C4'-P energy: -6.040
tors. eta vs tors. theta energy: -17.586
Dist. restrs. and SS energy: 0.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -285.263807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.263807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.684704 (E_RNA)
where:
Base-Base interactions energy: -204.475
where: short stacking energy: -76.225
Base-Backbone interact. energy: 1.680
local terms energy: -82.889791
where:
bonds (distance) C4'-P energy: -17.598
bonds (distance) P-C4' energy: -21.932
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -5.809
tors. eta vs tors. theta energy: -20.914
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: 9, replica: 6
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -240.302084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.302084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.009256 (E_RNA)
where:
Base-Base interactions energy: -161.668
where: short stacking energy: -73.322
Base-Backbone interact. energy: -0.741
local terms energy: -79.600237
where:
bonds (distance) C4'-P energy: -17.892
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -13.934
tors. eta vs tors. theta energy: -12.789
Dist. restrs. and SS energy: 1.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -208.298260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.298260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.989175 (E_RNA)
where:
Base-Base interactions energy: -139.885
where: short stacking energy: -61.620
Base-Backbone interact. energy: -0.944
local terms energy: -72.159422
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -19.686
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -6.696
Dist. restrs. and SS energy: 4.691 (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: 9
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -373.007008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.007008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.126413 (E_RNA)
where:
Base-Base interactions energy: -259.352
where: short stacking energy: -96.546
Base-Backbone interact. energy: -0.434
local terms energy: -115.340451
where:
bonds (distance) C4'-P energy: -21.593
bonds (distance) P-C4' energy: -23.845
flat angles C4'-P-C4' energy: -24.856
flat angles P-C4'-P energy: -16.597
tors. eta vs tors. theta energy: -28.451
Dist. restrs. and SS energy: 2.119 (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: 1
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -353.103770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.103770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.497184 (E_RNA)
where:
Base-Base interactions energy: -239.631
where: short stacking energy: -91.699
Base-Backbone interact. energy: -0.040
local terms energy: -113.826811
where:
bonds (distance) C4'-P energy: -24.082
bonds (distance) P-C4' energy: -24.762
flat angles C4'-P-C4' energy: -24.530
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -30.835
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: 3, replica: 4
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -361.576689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.576689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.238331 (E_RNA)
where:
Base-Base interactions energy: -245.573
where: short stacking energy: -92.873
Base-Backbone interact. energy: -1.645
local terms energy: -115.019743
where:
bonds (distance) C4'-P energy: -22.550
bonds (distance) P-C4' energy: -24.928
flat angles C4'-P-C4' energy: -22.627
flat angles P-C4'-P energy: -13.949
tors. eta vs tors. theta energy: -30.966
Dist. restrs. and SS energy: 0.662 (S_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: 297
Temperature: 1.050000
Total energy: -349.088166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.088166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.183899 (E_RNA)
where:
Base-Base interactions energy: -246.429
where: short stacking energy: -90.220
Base-Backbone interact. energy: -0.315
local terms energy: -102.439735
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -19.668
flat angles C4'-P-C4' energy: -21.602
flat angles P-C4'-P energy: -19.165
tors. eta vs tors. theta energy: -27.627
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: 5, replica: 2
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -313.334484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.334484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.047143 (E_RNA)
where:
Base-Base interactions energy: -217.972
where: short stacking energy: -88.715
Base-Backbone interact. energy: -0.792
local terms energy: -96.283090
where:
bonds (distance) C4'-P energy: -22.264
bonds (distance) P-C4' energy: -14.024
flat angles C4'-P-C4' energy: -20.373
flat angles P-C4'-P energy: -17.670
tors. eta vs tors. theta energy: -21.951
Dist. restrs. and SS energy: 1.713 (S_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: 297
Temperature: 1.150000
Total energy: -323.718774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.718774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.486636 (E_RNA)
where:
Base-Base interactions energy: -238.530
where: short stacking energy: -80.779
Base-Backbone interact. energy: -0.116
local terms energy: -85.839807
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -14.450
tors. eta vs tors. theta energy: -25.797
Dist. restrs. and SS energy: 0.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -257.247032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.247032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.001627 (E_RNA)
where:
Base-Base interactions energy: -173.989
where: short stacking energy: -64.032
Base-Backbone interact. energy: -0.118
local terms energy: -83.894842
where:
bonds (distance) C4'-P energy: -21.269
bonds (distance) P-C4' energy: -22.310
flat angles C4'-P-C4' energy: -17.997
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -13.737
Dist. restrs. and SS energy: 0.755 (S_DIST_RNA)
chem. 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: -242.377868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.377868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.913684 (E_RNA)
where:
Base-Base interactions energy: -169.647
where: short stacking energy: -68.973
Base-Backbone interact. energy: -0.385
local terms energy: -76.882057
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -25.470
flat angles C4'-P-C4' energy: -21.286
flat angles P-C4'-P energy: -0.267
tors. eta vs tors. theta energy: -12.307
Dist. restrs. and SS energy: 4.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -229.658194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.658194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.789753 (E_RNA)
where:
Base-Base interactions energy: -155.560
where: short stacking energy: -50.924
Base-Backbone interact. energy: -1.709
local terms energy: -73.520606
where:
bonds (distance) C4'-P energy: -17.586
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -14.962
tors. eta vs tors. theta energy: -6.245
Dist. restrs. and SS energy: 1.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -225.276997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.276997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.906877 (E_RNA)
where:
Base-Base interactions energy: -142.462
where: short stacking energy: -53.289
Base-Backbone interact. energy: -1.149
local terms energy: -87.295943
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -27.163
flat angles C4'-P-C4' energy: -21.305
flat angles P-C4'-P energy: -16.149
tors. eta vs tors. theta energy: -8.384
Dist. restrs. and SS energy: 5.630 (S_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: 298
Temperature: 0.900000
Total energy: -358.102927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.102927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.997974 (E_RNA)
where:
Base-Base interactions energy: -249.416
where: short stacking energy: -98.733
Base-Backbone interact. energy: -0.308
local terms energy: -109.273728
where:
bonds (distance) C4'-P energy: -23.553
bonds (distance) P-C4' energy: -21.541
flat angles C4'-P-C4' energy: -21.113
flat angles P-C4'-P energy: -15.715
tors. eta vs tors. theta energy: -27.351
Dist. restrs. and SS energy: 0.895 (S_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: 298
Temperature: 0.950000
Total energy: -361.307857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.307857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.267243 (E_RNA)
where:
Base-Base interactions energy: -251.041
where: short stacking energy: -99.451
Base-Backbone interact. energy: -0.859
local terms energy: -111.366743
where:
bonds (distance) C4'-P energy: -19.791
bonds (distance) P-C4' energy: -21.887
flat angles C4'-P-C4' energy: -21.861
flat angles P-C4'-P energy: -15.622
tors. eta vs tors. theta energy: -32.206
Dist. restrs. and SS energy: 1.959 (S_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: 298
Temperature: 1.000000
Total energy: -364.228784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.228784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.482555 (E_RNA)
where:
Base-Base interactions energy: -258.522
where: short stacking energy: -102.648
Base-Backbone interact. energy: -1.158
local terms energy: -105.802090
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -20.425
flat angles C4'-P-C4' energy: -19.269
flat angles P-C4'-P energy: -16.598
tors. eta vs tors. theta energy: -32.394
Dist. restrs. and SS energy: 1.254 (S_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: 298
Temperature: 1.050000
Total energy: -331.216933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.216933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.616954 (E_RNA)
where:
Base-Base interactions energy: -225.549
where: short stacking energy: -89.935
Base-Backbone interact. energy: -0.614
local terms energy: -106.453730
where:
bonds (distance) C4'-P energy: -23.712
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -21.039
flat angles P-C4'-P energy: -16.976
tors. eta vs tors. theta energy: -26.988
Dist. restrs. and SS energy: 1.400 (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: 8
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -332.872067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.872067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.717830 (E_RNA)
where:
Base-Base interactions energy: -232.473
where: short stacking energy: -101.206
Base-Backbone interact. energy: -0.306
local terms energy: -100.938692
where:
bonds (distance) C4'-P energy: -18.540
bonds (distance) P-C4' energy: -23.852
flat angles C4'-P-C4' energy: -20.384
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -24.481
Dist. restrs. and SS energy: 0.846 (S_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: -311.677634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.677634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.843010 (E_RNA)
where:
Base-Base interactions energy: -214.190
where: short stacking energy: -94.267
Base-Backbone interact. energy: -1.205
local terms energy: -96.447460
where:
bonds (distance) C4'-P energy: -18.934
bonds (distance) P-C4' energy: -19.440
flat angles C4'-P-C4' energy: -22.075
flat angles P-C4'-P energy: -16.505
tors. eta vs tors. theta energy: -19.493
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: 7, replica: 10
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -265.859088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.859088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.572903 (E_RNA)
where:
Base-Base interactions energy: -171.142
where: short stacking energy: -71.119
Base-Backbone interact. energy: -0.744
local terms energy: -96.686560
where:
bonds (distance) C4'-P energy: -21.201
bonds (distance) P-C4' energy: -24.889
flat angles C4'-P-C4' energy: -20.241
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -17.021
Dist. restrs. and SS energy: 2.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -226.522262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.522262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.991600 (E_RNA)
where:
Base-Base interactions energy: -149.590
where: short stacking energy: -62.246
Base-Backbone interact. energy: -0.249
local terms energy: -79.152466
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -21.808
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -12.383
Dist. restrs. and SS energy: 2.469 (S_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: 298
Temperature: 1.300000
Total energy: -226.619155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.619155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.345181 (E_RNA)
where:
Base-Base interactions energy: -147.019
where: short stacking energy: -64.464
Base-Backbone interact. energy: -0.243
local terms energy: -83.083174
where:
bonds (distance) C4'-P energy: -21.620
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -12.675
Dist. restrs. and SS energy: 3.726 (S_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: 298
Temperature: 1.350000
Total energy: -218.759361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.759361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.321103 (E_RNA)
where:
Base-Base interactions energy: -141.790
where: short stacking energy: -51.257
Base-Backbone interact. energy: -0.364
local terms energy: -78.167354
where:
bonds (distance) C4'-P energy: -22.607
bonds (distance) P-C4' energy: -26.428
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -0.837
Dist. restrs. and SS energy: 1.562 (S_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: 299
Temperature: 0.900000
Total energy: -371.013516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.013516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.020720 (E_RNA)
where:
Base-Base interactions energy: -263.464
where: short stacking energy: -106.514
Base-Backbone interact. energy: -0.004
local terms energy: -109.552437
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -20.394
flat angles C4'-P-C4' energy: -23.796
flat angles P-C4'-P energy: -17.559
tors. eta vs tors. theta energy: -29.671
Dist. restrs. and SS energy: 2.007 (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: 4
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -356.777556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.777556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.024152 (E_RNA)
where:
Base-Base interactions energy: -241.462
where: short stacking energy: -101.816
Base-Backbone interact. energy: -2.275
local terms energy: -114.287132
where:
bonds (distance) C4'-P energy: -24.056
bonds (distance) P-C4' energy: -20.216
flat angles C4'-P-C4' energy: -19.867
flat angles P-C4'-P energy: -17.833
tors. eta vs tors. theta energy: -32.315
Dist. restrs. and SS energy: 1.247 (S_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: 299
Temperature: 1.000000
Total energy: -355.483436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.483436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.326284 (E_RNA)
where:
Base-Base interactions energy: -239.726
where: short stacking energy: -89.314
Base-Backbone interact. energy: -1.266
local terms energy: -115.334287
where:
bonds (distance) C4'-P energy: -27.088
bonds (distance) P-C4' energy: -20.621
flat angles C4'-P-C4' energy: -20.868
flat angles P-C4'-P energy: -18.628
tors. eta vs tors. theta energy: -28.130
Dist. restrs. and SS energy: 0.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -346.148651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.148651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.652690 (E_RNA)
where:
Base-Base interactions energy: -248.703
where: short stacking energy: -99.624
Base-Backbone interact. energy: -1.131
local terms energy: -96.818550
where:
bonds (distance) C4'-P energy: -20.451
bonds (distance) P-C4' energy: -21.695
flat angles C4'-P-C4' energy: -22.953
flat angles P-C4'-P energy: -6.591
tors. eta vs tors. theta energy: -25.128
Dist. restrs. and SS energy: 0.504 (S_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: 299
Temperature: 1.100000
Total energy: -327.635837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.635837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.984870 (E_RNA)
where:
Base-Base interactions energy: -230.329
where: short stacking energy: -80.802
Base-Backbone interact. energy: -0.572
local terms energy: -98.083672
where:
bonds (distance) C4'-P energy: -18.282
bonds (distance) P-C4' energy: -18.770
flat angles C4'-P-C4' energy: -23.944
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -23.568
Dist. restrs. and SS energy: 1.349 (S_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: -286.603864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.603864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.623455 (E_RNA)
where:
Base-Base interactions energy: -197.888
where: short stacking energy: -82.206
Base-Backbone interact. energy: -0.432
local terms energy: -89.303716
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -22.453
flat angles C4'-P-C4' energy: -20.147
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -14.864
Dist. restrs. and SS energy: 1.020 (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: 10
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -275.519073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.519073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.531294 (E_RNA)
where:
Base-Base interactions energy: -186.681
where: short stacking energy: -66.429
Base-Backbone interact. energy: -1.203
local terms energy: -88.647172
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -21.000
flat angles C4'-P-C4' energy: -22.670
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -19.386
Dist. restrs. and SS energy: 1.012 (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: 299
Temperature: 1.250000
Total energy: -228.195274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.195274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.046264 (E_RNA)
where:
Base-Base interactions energy: -157.998
where: short stacking energy: -49.858
Base-Backbone interact. energy: -0.223
local terms energy: -72.824816
where:
bonds (distance) C4'-P energy: -18.284
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -6.249
Dist. restrs. and SS energy: 2.851 (S_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: 299
Temperature: 1.300000
Total energy: -222.765356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.765356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.991092 (E_RNA)
where:
Base-Base interactions energy: -144.184
where: short stacking energy: -54.698
Base-Backbone interact. energy: 1.161
local terms energy: -79.967477
where:
bonds (distance) C4'-P energy: -19.725
bonds (distance) P-C4' energy: -19.691
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -15.419
tors. eta vs tors. theta energy: -8.512
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: 3
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -213.643905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.643905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.268906 (E_RNA)
where:
Base-Base interactions energy: -140.297
where: short stacking energy: -63.655
Base-Backbone interact. energy: -0.239
local terms energy: -75.732568
where:
bonds (distance) C4'-P energy: -17.662
bonds (distance) P-C4' energy: -20.079
flat angles C4'-P-C4' energy: -21.113
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -9.206
Dist. restrs. and SS energy: 2.625 (S_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: 300
Temperature: 0.900000
Total energy: -383.485181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.485181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.559064 (E_RNA)
where:
Base-Base interactions energy: -265.072
where: short stacking energy: -100.146
Base-Backbone interact. energy: -1.104
local terms energy: -118.383420
where:
bonds (distance) C4'-P energy: -21.248
bonds (distance) P-C4' energy: -24.702
flat angles C4'-P-C4' energy: -20.245
flat angles P-C4'-P energy: -20.944
tors. eta vs tors. theta energy: -31.245
Dist. restrs. and SS energy: 1.074 (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: 1
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -369.416544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.416544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.904441 (E_RNA)
where:
Base-Base interactions energy: -261.688
where: short stacking energy: -96.115
Base-Backbone interact. energy: -1.680
local terms energy: -107.537045
where:
bonds (distance) C4'-P energy: -19.096
bonds (distance) P-C4' energy: -21.181
flat angles C4'-P-C4' energy: -18.056
flat angles P-C4'-P energy: -20.144
tors. eta vs tors. theta energy: -29.061
Dist. restrs. and SS energy: 1.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -356.343165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.343165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.372826 (E_RNA)
where:
Base-Base interactions energy: -246.899
where: short stacking energy: -93.462
Base-Backbone interact. energy: 0.440
local terms energy: -110.913269
where:
bonds (distance) C4'-P energy: -17.154
bonds (distance) P-C4' energy: -25.086
flat angles C4'-P-C4' energy: -23.031
flat angles P-C4'-P energy: -14.868
tors. eta vs tors. theta energy: -30.774
Dist. restrs. and SS energy: 1.030 (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: 7
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -341.528641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.528641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.792248 (E_RNA)
where:
Base-Base interactions energy: -244.500
where: short stacking energy: -89.183
Base-Backbone interact. energy: -0.831
local terms energy: -97.461172
where:
bonds (distance) C4'-P energy: -20.978
bonds (distance) P-C4' energy: -18.167
flat angles C4'-P-C4' energy: -20.085
flat angles P-C4'-P energy: -15.609
tors. eta vs tors. theta energy: -22.622
Dist. restrs. and SS energy: 1.264 (S_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: 300
Temperature: 1.100000
Total energy: -333.271745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.271745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.882141 (E_RNA)
where:
Base-Base interactions energy: -232.028
where: short stacking energy: -90.044
Base-Backbone interact. energy: -0.005
local terms energy: -101.849409
where:
bonds (distance) C4'-P energy: -22.827
bonds (distance) P-C4' energy: -19.852
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -18.319
tors. eta vs tors. theta energy: -25.267
Dist. restrs. and SS energy: 0.610 (S_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: 300
Temperature: 1.150000
Total energy: -279.048871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.048871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.168751 (E_RNA)
where:
Base-Base interactions energy: -189.228
where: short stacking energy: -80.642
Base-Backbone interact. energy: -0.891
local terms energy: -89.049295
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -22.998
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -13.952
tors. eta vs tors. theta energy: -18.083
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: 7, replica: 10
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -277.630225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.630225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.744486 (E_RNA)
where:
Base-Base interactions energy: -187.780
where: short stacking energy: -74.963
Base-Backbone interact. energy: 2.124
local terms energy: -95.088350
where:
bonds (distance) C4'-P energy: -20.140
bonds (distance) P-C4' energy: -21.679
flat angles C4'-P-C4' energy: -19.533
flat angles P-C4'-P energy: -15.216
tors. eta vs tors. theta energy: -18.520
Dist. restrs. and SS energy: 3.114 (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: 6
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -247.570353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.570353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.007657 (E_RNA)
where:
Base-Base interactions energy: -162.962
where: short stacking energy: -73.896
Base-Backbone interact. energy: -0.052
local terms energy: -85.994145
where:
bonds (distance) C4'-P energy: -22.633
bonds (distance) P-C4' energy: -19.204
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -13.373
Dist. restrs. and SS energy: 1.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -218.055505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.055505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.176870 (E_RNA)
where:
Base-Base interactions energy: -139.463
where: short stacking energy: -43.564
Base-Backbone interact. energy: -0.440
local terms energy: -80.273966
where:
bonds (distance) C4'-P energy: -20.519
bonds (distance) P-C4' energy: -21.820
flat angles C4'-P-C4' energy: -21.656
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -8.131
Dist. restrs. and SS energy: 2.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -224.673694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.673694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.761066 (E_RNA)
where:
Base-Base interactions energy: -152.141
where: short stacking energy: -56.994
Base-Backbone interact. energy: -0.143
local terms energy: -74.477179
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -23.730
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -13.121
tors. eta vs tors. theta energy: -8.571
Dist. restrs. and SS energy: 2.087 (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: 4
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -373.663335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.663335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.060695 (E_RNA)
where:
Base-Base interactions energy: -273.006
where: short stacking energy: -105.049
Base-Backbone interact. energy: -0.777
local terms energy: -101.277327
where:
bonds (distance) C4'-P energy: -18.597
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -19.253
flat angles P-C4'-P energy: -17.992
tors. eta vs tors. theta energy: -26.791
Dist. restrs. and SS energy: 1.397 (S_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: 301
Temperature: 0.950000
Total energy: -360.758914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.758914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.477508 (E_RNA)
where:
Base-Base interactions energy: -258.002
where: short stacking energy: -98.863
Base-Backbone interact. energy: -1.010
local terms energy: -102.465733
where:
bonds (distance) C4'-P energy: -19.490
bonds (distance) P-C4' energy: -21.694
flat angles C4'-P-C4' energy: -21.736
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -28.486
Dist. restrs. and SS energy: 0.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -353.982466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.982466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.477672 (E_RNA)
where:
Base-Base interactions energy: -256.602
where: short stacking energy: -99.531
Base-Backbone interact. energy: -1.580
local terms energy: -97.295821
where:
bonds (distance) C4'-P energy: -20.769
bonds (distance) P-C4' energy: -13.890
flat angles C4'-P-C4' energy: -21.223
flat angles P-C4'-P energy: -15.017
tors. eta vs tors. theta energy: -26.396
Dist. restrs. and SS energy: 1.495 (S_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: 301
Temperature: 1.050000
Total energy: -342.211381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.211381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.999885 (E_RNA)
where:
Base-Base interactions energy: -240.404
where: short stacking energy: -97.887
Base-Backbone interact. energy: -0.150
local terms energy: -103.445967
where:
bonds (distance) C4'-P energy: -21.237
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -23.197
flat angles P-C4'-P energy: -19.288
tors. eta vs tors. theta energy: -23.211
Dist. restrs. and SS energy: 1.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -333.266045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.266045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.409329 (E_RNA)
where:
Base-Base interactions energy: -236.212
where: short stacking energy: -90.632
Base-Backbone interact. energy: -1.539
local terms energy: -96.658862
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -20.497
flat angles P-C4'-P energy: -14.227
tors. eta vs tors. theta energy: -31.318
Dist. restrs. and SS energy: 1.143 (S_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: 301
Temperature: 1.150000
Total energy: -263.584267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.584267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.889542 (E_RNA)
where:
Base-Base interactions energy: -192.158
where: short stacking energy: -76.781
Base-Backbone interact. energy: 2.248
local terms energy: -83.979465
where:
bonds (distance) C4'-P energy: -18.211
bonds (distance) P-C4' energy: -18.282
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -23.885
Dist. restrs. and SS energy: 10.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -288.529017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.529017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.807111 (E_RNA)
where:
Base-Base interactions energy: -197.514
where: short stacking energy: -81.862
Base-Backbone interact. energy: -1.025
local terms energy: -90.267910
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -19.089
flat angles C4'-P-C4' energy: -21.058
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -26.158
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: 6
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -257.295910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.295910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.004914 (E_RNA)
where:
Base-Base interactions energy: -181.157
where: short stacking energy: -63.461
Base-Backbone interact. energy: -1.126
local terms energy: -77.721861
where:
bonds (distance) C4'-P energy: -20.364
bonds (distance) P-C4' energy: -18.152
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -14.185
Dist. restrs. and SS energy: 2.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -216.738042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.738042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.570644 (E_RNA)
where:
Base-Base interactions energy: -149.654
where: short stacking energy: -57.748
Base-Backbone interact. energy: -0.207
local terms energy: -68.709420
where:
bonds (distance) C4'-P energy: -6.083
bonds (distance) P-C4' energy: -23.449
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -15.046
tors. eta vs tors. theta energy: -8.425
Dist. restrs. and SS energy: 1.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -234.253291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.253291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.452938 (E_RNA)
where:
Base-Base interactions energy: -157.913
where: short stacking energy: -55.510
Base-Backbone interact. energy: 2.482
local terms energy: -79.022454
where:
bonds (distance) C4'-P energy: -19.391
bonds (distance) P-C4' energy: -21.912
flat angles C4'-P-C4' energy: -22.327
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -2.033
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: 1, replica: 1
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -372.826462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.826462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.154839 (E_RNA)
where:
Base-Base interactions energy: -253.736
where: short stacking energy: -102.505
Base-Backbone interact. energy: -0.958
local terms energy: -118.461478
where:
bonds (distance) C4'-P energy: -20.349
bonds (distance) P-C4' energy: -24.915
flat angles C4'-P-C4' energy: -25.815
flat angles P-C4'-P energy: -18.953
tors. eta vs tors. theta energy: -28.429
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: 2, replica: 4
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -366.635951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.635951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.932148 (E_RNA)
where:
Base-Base interactions energy: -252.645
where: short stacking energy: -97.088
Base-Backbone interact. energy: -0.620
local terms energy: -114.667203
where:
bonds (distance) C4'-P energy: -25.298
bonds (distance) P-C4' energy: -23.036
flat angles C4'-P-C4' energy: -23.809
flat angles P-C4'-P energy: -15.374
tors. eta vs tors. theta energy: -27.150
Dist. restrs. and SS energy: 1.296 (S_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: 302
Temperature: 1.000000
Total energy: -352.080313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.080313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.532528 (E_RNA)
where:
Base-Base interactions energy: -249.702
where: short stacking energy: -98.190
Base-Backbone interact. energy: 1.575
local terms energy: -104.405623
where:
bonds (distance) C4'-P energy: -23.784
bonds (distance) P-C4' energy: -22.099
flat angles C4'-P-C4' energy: -18.493
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -27.986
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: 9
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -345.222423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.222423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.298366 (E_RNA)
where:
Base-Base interactions energy: -246.067
where: short stacking energy: -101.575
Base-Backbone interact. energy: 0.065
local terms energy: -101.295648
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -24.100
flat angles P-C4'-P energy: -13.489
tors. eta vs tors. theta energy: -29.628
Dist. restrs. and SS energy: 2.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -345.873971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.873971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.703651 (E_RNA)
where:
Base-Base interactions energy: -251.749
where: short stacking energy: -99.285
Base-Backbone interact. energy: -2.071
local terms energy: -92.883883
where:
bonds (distance) C4'-P energy: -16.208
bonds (distance) P-C4' energy: -22.781
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -28.720
Dist. restrs. and SS energy: 0.830 (S_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: 302
Temperature: 1.150000
Total energy: -259.239088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.239088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.808662 (E_RNA)
where:
Base-Base interactions energy: -177.762
where: short stacking energy: -64.690
Base-Backbone interact. energy: -0.953
local terms energy: -85.093955
where:
bonds (distance) C4'-P energy: -19.919
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -23.240
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -13.527
Dist. restrs. and SS energy: 4.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -298.790225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.790225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.776929 (E_RNA)
where:
Base-Base interactions energy: -198.706
where: short stacking energy: -75.302
Base-Backbone interact. energy: -1.243
local terms energy: -100.827587
where:
bonds (distance) C4'-P energy: -17.047
bonds (distance) P-C4' energy: -22.771
flat angles C4'-P-C4' energy: -23.190
flat angles P-C4'-P energy: -17.368
tors. eta vs tors. theta energy: -20.452
Dist. restrs. and SS energy: 1.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -291.007253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.007253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.172844 (E_RNA)
where:
Base-Base interactions energy: -209.493
where: short stacking energy: -84.110
Base-Backbone interact. energy: 3.509
local terms energy: -91.189166
where:
bonds (distance) C4'-P energy: -20.042
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -20.108
flat angles P-C4'-P energy: -5.878
tors. eta vs tors. theta energy: -24.085
Dist. restrs. and SS energy: 6.166 (S_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: 302
Temperature: 1.300000
Total energy: -241.850215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.850215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.324113 (E_RNA)
where:
Base-Base interactions energy: -150.084
where: short stacking energy: -64.930
Base-Backbone interact. energy: 0.880
local terms energy: -95.120024
where:
bonds (distance) C4'-P energy: -20.302
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -20.396
flat angles P-C4'-P energy: -18.748
tors. eta vs tors. theta energy: -17.298
Dist. restrs. and SS energy: 2.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -224.486994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.486994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.105173 (E_RNA)
where:
Base-Base interactions energy: -148.744
where: short stacking energy: -63.042
Base-Backbone interact. energy: 0.363
local terms energy: -79.724521
where:
bonds (distance) C4'-P energy: -19.041
bonds (distance) P-C4' energy: -20.851
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -13.192
Dist. restrs. and SS energy: 3.618 (S_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: 303
Temperature: 0.900000
Total energy: -364.023222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.023222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.733542 (E_RNA)
where:
Base-Base interactions energy: -248.575
where: short stacking energy: -97.511
Base-Backbone interact. energy: -0.887
local terms energy: -115.271389
where:
bonds (distance) C4'-P energy: -20.070
bonds (distance) P-C4' energy: -22.183
flat angles C4'-P-C4' energy: -23.660
flat angles P-C4'-P energy: -19.363
tors. eta vs tors. theta energy: -29.996
Dist. restrs. and SS energy: 0.710 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -361.509836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.509836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.827790 (E_RNA)
where:
Base-Base interactions energy: -261.047
where: short stacking energy: -91.821
Base-Backbone interact. energy: -0.965
local terms energy: -100.815904
where:
bonds (distance) C4'-P energy: -21.924
bonds (distance) P-C4' energy: -21.253
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -15.235
tors. eta vs tors. theta energy: -25.599
Dist. restrs. and SS energy: 1.318 (S_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: 303
Temperature: 1.000000
Total energy: -344.931932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.931932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.803415 (E_RNA)
where:
Base-Base interactions energy: -235.108
where: short stacking energy: -91.949
Base-Backbone interact. energy: -0.280
local terms energy: -110.414795
where:
bonds (distance) C4'-P energy: -17.840
bonds (distance) P-C4' energy: -24.368
flat angles C4'-P-C4' energy: -23.374
flat angles P-C4'-P energy: -17.651
tors. eta vs tors. theta energy: -27.183
Dist. restrs. and SS energy: 0.871 (S_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: 303
Temperature: 1.050000
Total energy: -345.838646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.838646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.414804 (E_RNA)
where:
Base-Base interactions energy: -236.376
where: short stacking energy: -94.667
Base-Backbone interact. energy: 1.273
local terms energy: -112.311930
where:
bonds (distance) C4'-P energy: -19.157
bonds (distance) P-C4' energy: -21.287
flat angles C4'-P-C4' energy: -25.347
flat angles P-C4'-P energy: -15.446
tors. eta vs tors. theta energy: -31.075
Dist. restrs. and SS energy: 1.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -308.831291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.831291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.594106 (E_RNA)
where:
Base-Base interactions energy: -206.924
where: short stacking energy: -85.090
Base-Backbone interact. energy: -1.355
local terms energy: -102.315446
where:
bonds (distance) C4'-P energy: -22.597
bonds (distance) P-C4' energy: -24.448
flat angles C4'-P-C4' energy: -24.284
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -21.586
Dist. restrs. and SS energy: 1.763 (S_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: 303
Temperature: 1.150000
Total energy: -328.513204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.513204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.535350 (E_RNA)
where:
Base-Base interactions energy: -227.455
where: short stacking energy: -92.066
Base-Backbone interact. energy: -0.621
local terms energy: -102.458801
where:
bonds (distance) C4'-P energy: -18.938
bonds (distance) P-C4' energy: -23.631
flat angles C4'-P-C4' energy: -23.036
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -27.605
Dist. restrs. and SS energy: 2.022 (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: 10
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -259.302219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.302219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.710984 (E_RNA)
where:
Base-Base interactions energy: -182.036
where: short stacking energy: -71.485
Base-Backbone interact. energy: 0.776
local terms energy: -80.450957
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -23.331
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -15.513
Dist. restrs. and SS energy: 2.409 (S_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: 303
Temperature: 1.250000
Total energy: -274.142437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.142437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.286473 (E_RNA)
where:
Base-Base interactions energy: -187.591
where: short stacking energy: -75.234
Base-Backbone interact. energy: -1.107
local terms energy: -86.588605
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -20.198
flat angles P-C4'-P energy: -15.899
tors. eta vs tors. theta energy: -14.783
Dist. restrs. and SS energy: 1.144 (S_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: 303
Temperature: 1.300000
Total energy: -244.082317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.082317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.757423 (E_RNA)
where:
Base-Base interactions energy: -174.759
where: short stacking energy: -78.916
Base-Backbone interact. energy: -0.632
local terms energy: -73.366537
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -11.885
flat angles P-C4'-P energy: -13.603
tors. eta vs tors. theta energy: -18.420
Dist. restrs. and SS energy: 4.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -215.917684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.917684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.062231 (E_RNA)
where:
Base-Base interactions energy: -147.082
where: short stacking energy: -57.735
Base-Backbone interact. energy: -0.936
local terms energy: -68.043401
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -20.526
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -14.404
tors. eta vs tors. theta energy: -7.182
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: 4
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -366.329638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.329638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.843145 (E_RNA)
where:
Base-Base interactions energy: -255.387
where: short stacking energy: -104.166
Base-Backbone interact. energy: -1.271
local terms energy: -111.185075
where:
bonds (distance) C4'-P energy: -21.121
bonds (distance) P-C4' energy: -23.455
flat angles C4'-P-C4' energy: -21.183
flat angles P-C4'-P energy: -16.838
tors. eta vs tors. theta energy: -28.588
Dist. restrs. and SS energy: 1.514 (S_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: 304
Temperature: 0.950000
Total energy: -361.340371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.340371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.679632 (E_RNA)
where:
Base-Base interactions energy: -248.535
where: short stacking energy: -104.687
Base-Backbone interact. energy: -1.479
local terms energy: -111.665687
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -19.864
flat angles C4'-P-C4' energy: -23.251
flat angles P-C4'-P energy: -17.705
tors. eta vs tors. theta energy: -31.069
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: 3, replica: 8
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -366.475263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.475263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.755357 (E_RNA)
where:
Base-Base interactions energy: -258.053
where: short stacking energy: -101.656
Base-Backbone interact. energy: -0.031
local terms energy: -109.671560
where:
bonds (distance) C4'-P energy: -23.373
bonds (distance) P-C4' energy: -23.114
flat angles C4'-P-C4' energy: -18.764
flat angles P-C4'-P energy: -17.429
tors. eta vs tors. theta energy: -26.991
Dist. restrs. and SS energy: 1.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -347.792935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.792935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.889381 (E_RNA)
where:
Base-Base interactions energy: -249.733
where: short stacking energy: -88.118
Base-Backbone interact. energy: -1.202
local terms energy: -97.954244
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -22.258
flat angles C4'-P-C4' energy: -19.943
flat angles P-C4'-P energy: -14.892
tors. eta vs tors. theta energy: -24.332
Dist. restrs. and SS energy: 1.096 (S_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: 304
Temperature: 1.100000
Total energy: -342.558715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.558715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.830681 (E_RNA)
where:
Base-Base interactions energy: -242.174
where: short stacking energy: -94.319
Base-Backbone interact. energy: -0.482
local terms energy: -100.175475
where:
bonds (distance) C4'-P energy: -18.168
bonds (distance) P-C4' energy: -22.239
flat angles C4'-P-C4' energy: -21.431
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -27.877
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: 6, replica: 7
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -329.076895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.076895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.155590 (E_RNA)
where:
Base-Base interactions energy: -238.789
where: short stacking energy: -92.257
Base-Backbone interact. energy: 2.163
local terms energy: -93.529728
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -22.646
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -13.447
tors. eta vs tors. theta energy: -24.189
Dist. restrs. and SS energy: 1.079 (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: 10
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -264.870733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.870733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.774271 (E_RNA)
where:
Base-Base interactions energy: -171.066
where: short stacking energy: -70.499
Base-Backbone interact. energy: -0.269
local terms energy: -95.438802
where:
bonds (distance) C4'-P energy: -16.792
bonds (distance) P-C4' energy: -23.727
flat angles C4'-P-C4' energy: -24.646
flat angles P-C4'-P energy: -15.583
tors. eta vs tors. theta energy: -14.692
Dist. restrs. and SS energy: 1.904 (S_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: 304
Temperature: 1.250000
Total energy: -270.284664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.284664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.723741 (E_RNA)
where:
Base-Base interactions energy: -190.667
where: short stacking energy: -80.221
Base-Backbone interact. energy: -0.661
local terms energy: -79.395270
where:
bonds (distance) C4'-P energy: -19.359
bonds (distance) P-C4' energy: -20.851
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -13.289
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: 9, replica: 6
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -220.282219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.282219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.529721 (E_RNA)
where:
Base-Base interactions energy: -136.318
where: short stacking energy: -58.930
Base-Backbone interact. energy: -0.256
local terms energy: -86.955578
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -23.499
flat angles C4'-P-C4' energy: -23.123
flat angles P-C4'-P energy: -14.998
tors. eta vs tors. theta energy: -8.540
Dist. restrs. and SS energy: 3.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -204.913341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.913341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.409085 (E_RNA)
where:
Base-Base interactions energy: -129.695
where: short stacking energy: -57.963
Base-Backbone interact. energy: -0.382
local terms energy: -77.331973
where:
bonds (distance) C4'-P energy: -18.115
bonds (distance) P-C4' energy: -22.356
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -11.353
Dist. restrs. and SS energy: 2.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -376.694083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.694083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.099865 (E_RNA)
where:
Base-Base interactions energy: -270.983
where: short stacking energy: -104.423
Base-Backbone interact. energy: 1.563
local terms energy: -107.679638
where:
bonds (distance) C4'-P energy: -19.590
bonds (distance) P-C4' energy: -17.783
flat angles C4'-P-C4' energy: -22.565
flat angles P-C4'-P energy: -17.221
tors. eta vs tors. theta energy: -30.520
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: 2, replica: 8
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -362.809658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.809658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.153088 (E_RNA)
where:
Base-Base interactions energy: -249.397
where: short stacking energy: -88.851
Base-Backbone interact. energy: -1.181
local terms energy: -112.574787
where:
bonds (distance) C4'-P energy: -23.137
bonds (distance) P-C4' energy: -25.521
flat angles C4'-P-C4' energy: -22.277
flat angles P-C4'-P energy: -15.441
tors. eta vs tors. theta energy: -26.199
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: 3, replica: 1
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -353.300206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.300206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.925671 (E_RNA)
where:
Base-Base interactions energy: -246.152
where: short stacking energy: -85.156
Base-Backbone interact. energy: -1.091
local terms energy: -106.682837
where:
bonds (distance) C4'-P energy: -21.642
bonds (distance) P-C4' energy: -25.148
flat angles C4'-P-C4' energy: -21.977
flat angles P-C4'-P energy: -15.101
tors. eta vs tors. theta energy: -22.815
Dist. restrs. and SS energy: 0.625 (S_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: 305
Temperature: 1.050000
Total energy: -340.431814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.431814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.441023 (E_RNA)
where:
Base-Base interactions energy: -245.348
where: short stacking energy: -94.336
Base-Backbone interact. energy: -1.810
local terms energy: -94.283630
where:
bonds (distance) C4'-P energy: -24.148
bonds (distance) P-C4' energy: -7.531
flat angles C4'-P-C4' energy: -23.963
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -25.563
Dist. restrs. and SS energy: 1.009 (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: 305
Temperature: 1.100000
Total energy: -342.642421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.642421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.138419 (E_RNA)
where:
Base-Base interactions energy: -237.152
where: short stacking energy: -94.886
Base-Backbone interact. energy: -0.633
local terms energy: -106.353614
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -21.478
flat angles C4'-P-C4' energy: -24.446
flat angles P-C4'-P energy: -17.616
tors. eta vs tors. theta energy: -24.871
Dist. restrs. and SS energy: 1.496 (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: 10
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -282.931188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.931188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.432233 (E_RNA)
where:
Base-Base interactions energy: -189.322
where: short stacking energy: -77.879
Base-Backbone interact. energy: -0.449
local terms energy: -98.660371
where:
bonds (distance) C4'-P energy: -23.525
bonds (distance) P-C4' energy: -25.801
flat angles C4'-P-C4' energy: -22.501
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -16.014
Dist. restrs. and SS energy: 5.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -318.034029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.034029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.191182 (E_RNA)
where:
Base-Base interactions energy: -234.893
where: short stacking energy: -94.257
Base-Backbone interact. energy: -0.371
local terms energy: -83.926822
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -12.108
flat angles C4'-P-C4' energy: -19.387
flat angles P-C4'-P energy: -14.180
tors. eta vs tors. theta energy: -25.109
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: 5
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -246.630507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.630507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.477974 (E_RNA)
where:
Base-Base interactions energy: -162.729
where: short stacking energy: -65.424
Base-Backbone interact. energy: -0.684
local terms energy: -84.065112
where:
bonds (distance) C4'-P energy: -17.275
bonds (distance) P-C4' energy: -19.953
flat angles C4'-P-C4' energy: -21.792
flat angles P-C4'-P energy: -14.212
tors. eta vs tors. theta energy: -10.832
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: 9, replica: 6
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -223.236235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.236235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.403822 (E_RNA)
where:
Base-Base interactions energy: -145.838
where: short stacking energy: -56.783
Base-Backbone interact. energy: -0.982
local terms energy: -81.584201
where:
bonds (distance) C4'-P energy: -22.735
bonds (distance) P-C4' energy: -23.011
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -11.180
Dist. restrs. and SS energy: 5.168 (S_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: 305
Temperature: 1.350000
Total energy: -256.400297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.400297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.767098 (E_RNA)
where:
Base-Base interactions energy: -173.077
where: short stacking energy: -69.877
Base-Backbone interact. energy: -0.735
local terms energy: -82.954915
where:
bonds (distance) C4'-P energy: -20.482
bonds (distance) P-C4' energy: -14.260
flat angles C4'-P-C4' energy: -21.803
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -14.779
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: 1, replica: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -376.143246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.143246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.185731 (E_RNA)
where:
Base-Base interactions energy: -265.043
where: short stacking energy: -101.353
Base-Backbone interact. energy: -1.051
local terms energy: -111.090931
where:
bonds (distance) C4'-P energy: -21.833
bonds (distance) P-C4' energy: -22.493
flat angles C4'-P-C4' energy: -23.192
flat angles P-C4'-P energy: -15.362
tors. eta vs tors. theta energy: -28.212
Dist. restrs. and SS energy: 1.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -369.893604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.893604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.816964 (E_RNA)
where:
Base-Base interactions energy: -258.133
where: short stacking energy: -86.579
Base-Backbone interact. energy: -1.098
local terms energy: -111.585439
where:
bonds (distance) C4'-P energy: -19.929
bonds (distance) P-C4' energy: -26.406
flat angles C4'-P-C4' energy: -24.743
flat angles P-C4'-P energy: -16.891
tors. eta vs tors. theta energy: -23.616
Dist. restrs. and SS energy: 0.923 (S_DIST_RNA)
chem. 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: -351.849817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.849817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.328780 (E_RNA)
where:
Base-Base interactions energy: -248.225
where: short stacking energy: -98.816
Base-Backbone interact. energy: -1.023
local terms energy: -104.080616
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -21.880
flat angles C4'-P-C4' energy: -22.424
flat angles P-C4'-P energy: -19.045
tors. eta vs tors. theta energy: -25.230
Dist. restrs. and SS energy: 1.479 (S_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: 306
Temperature: 1.050000
Total energy: -328.993516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.993516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.097573 (E_RNA)
where:
Base-Base interactions energy: -227.689
where: short stacking energy: -84.274
Base-Backbone interact. energy: -0.572
local terms energy: -101.836062
where:
bonds (distance) C4'-P energy: -20.314
bonds (distance) P-C4' energy: -25.224
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -14.554
tors. eta vs tors. theta energy: -24.180
Dist. restrs. and SS energy: 1.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -310.062486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.062486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.466964 (E_RNA)
where:
Base-Base interactions energy: -227.733
where: short stacking energy: -92.004
Base-Backbone interact. energy: -0.243
local terms energy: -84.490914
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -21.719
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -21.087
Dist. restrs. and SS energy: 2.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -315.666597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.666597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.150077 (E_RNA)
where:
Base-Base interactions energy: -217.712
where: short stacking energy: -84.629
Base-Backbone interact. energy: -0.205
local terms energy: -98.233107
where:
bonds (distance) C4'-P energy: -20.748
bonds (distance) P-C4' energy: -19.695
flat angles C4'-P-C4' energy: -21.241
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -24.807
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: 5
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -263.775302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.775302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.631055 (E_RNA)
where:
Base-Base interactions energy: -174.532
where: short stacking energy: -78.950
Base-Backbone interact. energy: -0.245
local terms energy: -92.853940
where:
bonds (distance) C4'-P energy: -18.363
bonds (distance) P-C4' energy: -25.794
flat angles C4'-P-C4' energy: -18.898
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -18.070
Dist. restrs. and SS energy: 3.856 (S_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: 306
Temperature: 1.250000
Total energy: -314.493378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.493378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.319480 (E_RNA)
where:
Base-Base interactions energy: -222.993
where: short stacking energy: -83.636
Base-Backbone interact. energy: 0.657
local terms energy: -92.982764
where:
bonds (distance) C4'-P energy: -22.211
bonds (distance) P-C4' energy: -21.830
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -15.015
tors. eta vs tors. theta energy: -18.309
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: 9, replica: 3
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -247.830446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.830446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.701534 (E_RNA)
where:
Base-Base interactions energy: -167.846
where: short stacking energy: -69.519
Base-Backbone interact. energy: -0.805
local terms energy: -83.050660
where:
bonds (distance) C4'-P energy: -18.628
bonds (distance) P-C4' energy: -21.090
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -13.961
tors. eta vs tors. theta energy: -11.952
Dist. restrs. and SS energy: 3.871 (S_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: -220.817258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.817258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.434733 (E_RNA)
where:
Base-Base interactions energy: -147.144
where: short stacking energy: -55.224
Base-Backbone interact. energy: -0.825
local terms energy: -75.465840
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -23.155
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -5.743
tors. eta vs tors. theta energy: -12.508
Dist. restrs. and SS energy: 2.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -370.186644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.186644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.321550 (E_RNA)
where:
Base-Base interactions energy: -252.220
where: short stacking energy: -108.217
Base-Backbone interact. energy: -0.715
local terms energy: -118.386875
where:
bonds (distance) C4'-P energy: -22.275
bonds (distance) P-C4' energy: -24.628
flat angles C4'-P-C4' energy: -24.608
flat angles P-C4'-P energy: -16.751
tors. eta vs tors. theta energy: -30.125
Dist. restrs. and SS energy: 1.135 (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: 1
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -356.640465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.640465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.451220 (E_RNA)
where:
Base-Base interactions energy: -247.924
where: short stacking energy: -95.312
Base-Backbone interact. energy: -0.631
local terms energy: -108.896275
where:
bonds (distance) C4'-P energy: -22.786
bonds (distance) P-C4' energy: -20.506
flat angles C4'-P-C4' energy: -24.279
flat angles P-C4'-P energy: -15.444
tors. eta vs tors. theta energy: -25.881
Dist. restrs. and SS energy: 0.811 (S_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: 307
Temperature: 1.000000
Total energy: -359.468794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.468794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.490876 (E_RNA)
where:
Base-Base interactions energy: -245.166
where: short stacking energy: -94.597
Base-Backbone interact. energy: 1.036
local terms energy: -115.360943
where:
bonds (distance) C4'-P energy: -22.050
bonds (distance) P-C4' energy: -22.330
flat angles C4'-P-C4' energy: -22.988
flat angles P-C4'-P energy: -16.880
tors. eta vs tors. theta energy: -31.113
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: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -341.385115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.385115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.472244 (E_RNA)
where:
Base-Base interactions energy: -235.410
where: short stacking energy: -94.599
Base-Backbone interact. energy: -0.945
local terms energy: -105.117639
where:
bonds (distance) C4'-P energy: -16.417
bonds (distance) P-C4' energy: -24.032
flat angles C4'-P-C4' energy: -23.995
flat angles P-C4'-P energy: -16.663
tors. eta vs tors. theta energy: -24.010
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: 10
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -302.180051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.180051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.039553 (E_RNA)
where:
Base-Base interactions energy: -208.608
where: short stacking energy: -87.267
Base-Backbone interact. energy: -1.121
local terms energy: -95.311003
where:
bonds (distance) C4'-P energy: -17.933
bonds (distance) P-C4' energy: -19.064
flat angles C4'-P-C4' energy: -23.988
flat angles P-C4'-P energy: -16.175
tors. eta vs tors. theta energy: -18.152
Dist. restrs. and SS energy: 2.860 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -327.115668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.115668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.600006 (E_RNA)
where:
Base-Base interactions energy: -220.978
where: short stacking energy: -83.591
Base-Backbone interact. energy: -0.352
local terms energy: -106.269603
where:
bonds (distance) C4'-P energy: -22.052
bonds (distance) P-C4' energy: -21.516
flat angles C4'-P-C4' energy: -20.338
flat angles P-C4'-P energy: -17.900
tors. eta vs tors. theta energy: -24.463
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: 7, replica: 5
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -243.939291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.939291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.362156 (E_RNA)
where:
Base-Base interactions energy: -173.260
where: short stacking energy: -61.501
Base-Backbone interact. energy: -1.004
local terms energy: -75.098392
where:
bonds (distance) C4'-P energy: -8.508
bonds (distance) P-C4' energy: -22.171
flat angles C4'-P-C4' energy: -18.545
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -15.160
Dist. restrs. and SS energy: 5.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -264.741512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.741512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.075135 (E_RNA)
where:
Base-Base interactions energy: -185.060
where: short stacking energy: -64.931
Base-Backbone interact. energy: 0.067
local terms energy: -80.082416
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -20.978
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -19.304
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: 307
Temperature: 1.300000
Total energy: -279.582227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.582227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.862010 (E_RNA)
where:
Base-Base interactions energy: -185.656
where: short stacking energy: -68.146
Base-Backbone interact. energy: -2.047
local terms energy: -93.159701
where:
bonds (distance) C4'-P energy: -17.575
bonds (distance) P-C4' energy: -20.493
flat angles C4'-P-C4' energy: -24.466
flat angles P-C4'-P energy: -19.139
tors. eta vs tors. theta energy: -11.487
Dist. restrs. and SS energy: 1.280 (S_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: -212.388041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.388041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.301944 (E_RNA)
where:
Base-Base interactions energy: -126.125
where: short stacking energy: -61.393
Base-Backbone interact. energy: -1.386
local terms energy: -88.791044
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -26.421
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -16.931
tors. eta vs tors. theta energy: -12.253
Dist. restrs. and SS energy: 3.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -372.551015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.551015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.774017 (E_RNA)
where:
Base-Base interactions energy: -253.696
where: short stacking energy: -98.327
Base-Backbone interact. energy: -0.669
local terms energy: -119.409537
where:
bonds (distance) C4'-P energy: -20.857
bonds (distance) P-C4' energy: -27.072
flat angles C4'-P-C4' energy: -25.563
flat angles P-C4'-P energy: -17.130
tors. eta vs tors. theta energy: -28.786
Dist. restrs. and SS energy: 1.223 (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: 1
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -356.288070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.288070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.863021 (E_RNA)
where:
Base-Base interactions energy: -246.522
where: short stacking energy: -88.904
Base-Backbone interact. energy: -2.318
local terms energy: -109.022829
where:
bonds (distance) C4'-P energy: -19.735
bonds (distance) P-C4' energy: -24.902
flat angles C4'-P-C4' energy: -18.517
flat angles P-C4'-P energy: -20.607
tors. eta vs tors. theta energy: -25.262
Dist. restrs. and SS energy: 1.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -354.012878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.012878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.891848 (E_RNA)
where:
Base-Base interactions energy: -243.869
where: short stacking energy: -97.153
Base-Backbone interact. energy: -0.076
local terms energy: -110.946974
where:
bonds (distance) C4'-P energy: -23.634
bonds (distance) P-C4' energy: -21.766
flat angles C4'-P-C4' energy: -21.280
flat angles P-C4'-P energy: -16.454
tors. eta vs tors. theta energy: -27.813
Dist. restrs. and SS energy: 0.879 (S_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: 308
Temperature: 1.050000
Total energy: -341.388784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.388784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.837502 (E_RNA)
where:
Base-Base interactions energy: -236.923
where: short stacking energy: -94.359
Base-Backbone interact. energy: -0.345
local terms energy: -105.570066
where:
bonds (distance) C4'-P energy: -17.379
bonds (distance) P-C4' energy: -17.860
flat angles C4'-P-C4' energy: -24.744
flat angles P-C4'-P energy: -19.687
tors. eta vs tors. theta energy: -25.901
Dist. restrs. and SS energy: 1.449 (S_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: -326.138219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.138219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.790287 (E_RNA)
where:
Base-Base interactions energy: -216.377
where: short stacking energy: -79.549
Base-Backbone interact. energy: -0.028
local terms energy: -111.385723
where:
bonds (distance) C4'-P energy: -21.986
bonds (distance) P-C4' energy: -26.570
flat angles C4'-P-C4' energy: -19.603
flat angles P-C4'-P energy: -17.240
tors. eta vs tors. theta energy: -25.987
Dist. restrs. and SS energy: 1.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -277.418564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.418564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.621363 (E_RNA)
where:
Base-Base interactions energy: -185.212
where: short stacking energy: -80.038
Base-Backbone interact. energy: -0.810
local terms energy: -92.599546
where:
bonds (distance) C4'-P energy: -19.847
bonds (distance) P-C4' energy: -19.833
flat angles C4'-P-C4' energy: -22.786
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -17.009
Dist. restrs. and SS energy: 1.203 (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: 3
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -298.073823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.073823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.218914 (E_RNA)
where:
Base-Base interactions energy: -206.351
where: short stacking energy: -86.476
Base-Backbone interact. energy: -0.524
local terms energy: -92.343592
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -18.473
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -25.559
Dist. restrs. and SS energy: 1.145 (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: 5
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -257.904102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.904102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.435059 (E_RNA)
where:
Base-Base interactions energy: -175.572
where: short stacking energy: -74.308
Base-Backbone interact. energy: 0.191
local terms energy: -84.053878
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -18.099
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -20.196
Dist. restrs. and SS energy: 1.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -247.344412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.344412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.909301 (E_RNA)
where:
Base-Base interactions energy: -166.602
where: short stacking energy: -66.949
Base-Backbone interact. energy: 0.367
local terms energy: -81.673632
where:
bonds (distance) C4'-P energy: -20.983
bonds (distance) P-C4' energy: -19.586
flat angles C4'-P-C4' energy: -22.162
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -10.011
Dist. restrs. and SS energy: 0.565 (S_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: -208.309241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.309241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.408416 (E_RNA)
where:
Base-Base interactions energy: -117.050
where: short stacking energy: -49.165
Base-Backbone interact. energy: -0.862
local terms energy: -93.496117
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -24.969
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -17.963
tors. eta vs tors. theta energy: -15.625
Dist. restrs. and SS energy: 3.099 (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: 4
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -372.740287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.740287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.167761 (E_RNA)
where:
Base-Base interactions energy: -250.178
where: short stacking energy: -99.609
Base-Backbone interact. energy: 0.396
local terms energy: -124.386169
where:
bonds (distance) C4'-P energy: -24.944
bonds (distance) P-C4' energy: -23.976
flat angles C4'-P-C4' energy: -22.940
flat angles P-C4'-P energy: -22.190
tors. eta vs tors. theta energy: -30.336
Dist. restrs. and SS energy: 1.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -366.307065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.307065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.473928 (E_RNA)
where:
Base-Base interactions energy: -256.267
where: short stacking energy: -94.706
Base-Backbone interact. energy: -1.470
local terms energy: -109.737193
where:
bonds (distance) C4'-P energy: -18.022
bonds (distance) P-C4' energy: -22.793
flat angles C4'-P-C4' energy: -21.609
flat angles P-C4'-P energy: -17.693
tors. eta vs tors. theta energy: -29.620
Dist. restrs. and SS energy: 1.167 (S_DIST_RNA)
chem. 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: -346.341562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.341562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.528263 (E_RNA)
where:
Base-Base interactions energy: -242.320
where: short stacking energy: -97.850
Base-Backbone interact. energy: -0.443
local terms energy: -104.764898
where:
bonds (distance) C4'-P energy: -21.792
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -18.974
flat angles P-C4'-P energy: -15.630
tors. eta vs tors. theta energy: -26.109
Dist. restrs. and SS energy: 1.187 (S_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: -350.611657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.611657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.267945 (E_RNA)
where:
Base-Base interactions energy: -241.654
where: short stacking energy: -98.890
Base-Backbone interact. energy: -1.401
local terms energy: -108.212333
where:
bonds (distance) C4'-P energy: -19.346
bonds (distance) P-C4' energy: -22.760
flat angles C4'-P-C4' energy: -20.949
flat angles P-C4'-P energy: -20.784
tors. eta vs tors. theta energy: -24.373
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: 5, replica: 8
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -320.664736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.664736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.186808 (E_RNA)
where:
Base-Base interactions energy: -226.510
where: short stacking energy: -89.611
Base-Backbone interact. energy: -0.487
local terms energy: -96.190246
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -21.149
flat angles C4'-P-C4' energy: -23.128
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -25.320
Dist. restrs. and SS energy: 2.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -293.604870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.604870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.203668 (E_RNA)
where:
Base-Base interactions energy: -206.734
where: short stacking energy: -77.450
Base-Backbone interact. energy: -0.419
local terms energy: -87.050294
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -22.700
flat angles P-C4'-P energy: -15.666
tors. eta vs tors. theta energy: -18.612
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: 7, replica: 10
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -249.382988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.382988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.725443 (E_RNA)
where:
Base-Base interactions energy: -163.067
where: short stacking energy: -57.672
Base-Backbone interact. energy: -2.384
local terms energy: -85.274536
where:
bonds (distance) C4'-P energy: -19.478
bonds (distance) P-C4' energy: -23.200
flat angles C4'-P-C4' energy: -26.661
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: -8.684
Dist. restrs. and SS energy: 1.342 (S_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: 309
Temperature: 1.250000
Total energy: -257.360271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.360271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.521225 (E_RNA)
where:
Base-Base interactions energy: -180.928
where: short stacking energy: -68.840
Base-Backbone interact. energy: -0.629
local terms energy: -75.964951
where:
bonds (distance) C4'-P energy: -18.582
bonds (distance) P-C4' energy: -20.701
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -13.000
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: 9, replica: 5
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -269.467873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.467873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.617166 (E_RNA)
where:
Base-Base interactions energy: -187.663
where: short stacking energy: -85.122
Base-Backbone interact. energy: 1.275
local terms energy: -87.229162
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -21.367
flat angles P-C4'-P energy: -15.683
tors. eta vs tors. theta energy: -18.802
Dist. restrs. and SS energy: 4.149 (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: 6
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -215.936451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.936451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.086498 (E_RNA)
where:
Base-Base interactions energy: -136.494
where: short stacking energy: -61.916
Base-Backbone interact. energy: -1.010
local terms energy: -80.582606
where:
bonds (distance) C4'-P energy: -22.843
bonds (distance) P-C4' energy: -22.979
flat angles C4'-P-C4' energy: -17.582
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -9.435
Dist. restrs. and SS energy: 2.150 (S_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: 310
Temperature: 0.900000
Total energy: -372.484663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.484663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.972533 (E_RNA)
where:
Base-Base interactions energy: -261.788
where: short stacking energy: -101.822
Base-Backbone interact. energy: -1.573
local terms energy: -110.612293
where:
bonds (distance) C4'-P energy: -22.963
bonds (distance) P-C4' energy: -23.116
flat angles C4'-P-C4' energy: -23.738
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -28.720
Dist. restrs. and SS energy: 1.488 (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: 4
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -365.234113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.234113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.875989 (E_RNA)
where:
Base-Base interactions energy: -255.072
where: short stacking energy: -94.365
Base-Backbone interact. energy: -1.043
local terms energy: -109.761148
where:
bonds (distance) C4'-P energy: -18.041
bonds (distance) P-C4' energy: -19.915
flat angles C4'-P-C4' energy: -24.472
flat angles P-C4'-P energy: -20.042
tors. eta vs tors. theta energy: -27.291
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: 3, replica: 9
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -354.163448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.163448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.007817 (E_RNA)
where:
Base-Base interactions energy: -243.727
where: short stacking energy: -91.965
Base-Backbone interact. energy: -0.924
local terms energy: -111.356831
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -23.462
flat angles C4'-P-C4' energy: -24.986
flat angles P-C4'-P energy: -19.705
tors. eta vs tors. theta energy: -30.415
Dist. restrs. and SS energy: 1.844 (S_DIST_RNA)
chem. 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: -340.935350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.935350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.789878 (E_RNA)
where:
Base-Base interactions energy: -234.988
where: short stacking energy: -85.327
Base-Backbone interact. energy: -0.671
local terms energy: -106.130879
where:
bonds (distance) C4'-P energy: -21.902
bonds (distance) P-C4' energy: -21.682
flat angles C4'-P-C4' energy: -18.337
flat angles P-C4'-P energy: -17.324
tors. eta vs tors. theta energy: -26.885
Dist. restrs. and SS energy: 0.855 (S_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: 310
Temperature: 1.100000
Total energy: -343.565505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.565505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.913649 (E_RNA)
where:
Base-Base interactions energy: -237.867
where: short stacking energy: -98.153
Base-Backbone interact. energy: 0.891
local terms energy: -107.937277
where:
bonds (distance) C4'-P energy: -23.237
bonds (distance) P-C4' energy: -20.419
flat angles C4'-P-C4' energy: -18.828
flat angles P-C4'-P energy: -17.219
tors. eta vs tors. theta energy: -28.235
Dist. restrs. and SS energy: 1.348 (S_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: 310
Temperature: 1.150000
Total energy: -300.671234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.671234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.765472 (E_RNA)
where:
Base-Base interactions energy: -213.627
where: short stacking energy: -79.721
Base-Backbone interact. energy: -0.284
local terms energy: -86.854613
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -21.972
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -20.764
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: 310
Temperature: 1.200000
Total energy: -300.331230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.331230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.053792 (E_RNA)
where:
Base-Base interactions energy: -213.792
where: short stacking energy: -79.403
Base-Backbone interact. energy: 0.253
local terms energy: -87.515013
where:
bonds (distance) C4'-P energy: -17.569
bonds (distance) P-C4' energy: -22.566
flat angles C4'-P-C4' energy: -18.314
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -15.412
Dist. restrs. and SS energy: 0.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -230.712138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.712138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.986220 (E_RNA)
where:
Base-Base interactions energy: -154.396
where: short stacking energy: -63.872
Base-Backbone interact. energy: 4.200
local terms energy: -81.790734
where:
bonds (distance) C4'-P energy: -20.526
bonds (distance) P-C4' energy: -19.395
flat angles C4'-P-C4' energy: -18.720
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -11.378
Dist. restrs. and SS energy: 1.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -275.708914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.708914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.962829 (E_RNA)
where:
Base-Base interactions energy: -188.229
where: short stacking energy: -78.289
Base-Backbone interact. energy: -0.631
local terms energy: -89.102293
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -21.825
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -22.656
Dist. restrs. and SS energy: 2.254 (S_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: -224.622047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.622047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.528613 (E_RNA)
where:
Base-Base interactions energy: -151.943
where: short stacking energy: -58.720
Base-Backbone interact. energy: -0.677
local terms energy: -73.908671
where:
bonds (distance) C4'-P energy: -18.096
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -12.131
Dist. restrs. and SS energy: 1.907 (S_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: 311
Temperature: 0.900000
Total energy: -360.779995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.779995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.841382 (E_RNA)
where:
Base-Base interactions energy: -250.651
where: short stacking energy: -85.179
Base-Backbone interact. energy: -0.941
local terms energy: -110.249363
where:
bonds (distance) C4'-P energy: -24.861
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -22.071
flat angles P-C4'-P energy: -16.069
tors. eta vs tors. theta energy: -25.061
Dist. restrs. and SS energy: 1.061 (S_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: 311
Temperature: 0.950000
Total energy: -359.654043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.654043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.931876 (E_RNA)
where:
Base-Base interactions energy: -250.894
where: short stacking energy: -95.011
Base-Backbone interact. energy: -0.219
local terms energy: -109.818756
where:
bonds (distance) C4'-P energy: -20.699
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -26.808
flat angles P-C4'-P energy: -17.008
tors. eta vs tors. theta energy: -25.604
Dist. restrs. and SS energy: 1.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -355.695967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.695967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.119936 (E_RNA)
where:
Base-Base interactions energy: -241.811
where: short stacking energy: -93.688
Base-Backbone interact. energy: -0.677
local terms energy: -114.632049
where:
bonds (distance) C4'-P energy: -22.459
bonds (distance) P-C4' energy: -20.308
flat angles C4'-P-C4' energy: -25.926
flat angles P-C4'-P energy: -14.596
tors. eta vs tors. theta energy: -31.343
Dist. restrs. and SS energy: 1.424 (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: 8
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -345.702413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.702413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.498415 (E_RNA)
where:
Base-Base interactions energy: -241.878
where: short stacking energy: -91.744
Base-Backbone interact. energy: -1.490
local terms energy: -104.130231
where:
bonds (distance) C4'-P energy: -23.074
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -22.285
flat angles P-C4'-P energy: -15.596
tors. eta vs tors. theta energy: -29.139
Dist. restrs. and SS energy: 1.796 (S_DIST_RNA)
chem. 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: -332.076390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.076390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.405025 (E_RNA)
where:
Base-Base interactions energy: -226.517
where: short stacking energy: -95.437
Base-Backbone interact. energy: -0.691
local terms energy: -106.197020
where:
bonds (distance) C4'-P energy: -25.043
bonds (distance) P-C4' energy: -16.989
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -18.224
tors. eta vs tors. theta energy: -28.388
Dist. restrs. and SS energy: 1.329 (S_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: 311
Temperature: 1.150000
Total energy: -266.865067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.865067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.064267 (E_RNA)
where:
Base-Base interactions energy: -201.484
where: short stacking energy: -72.757
Base-Backbone interact. energy: -0.342
local terms energy: -68.238793
where:
bonds (distance) C4'-P energy: -8.170
bonds (distance) P-C4' energy: -18.323
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -6.193
tors. eta vs tors. theta energy: -19.558
Dist. restrs. and SS energy: 3.199 (S_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: 311
Temperature: 1.200000
Total energy: -259.921137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.921137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.915860 (E_RNA)
where:
Base-Base interactions energy: -173.713
where: short stacking energy: -84.249
Base-Backbone interact. energy: -1.244
local terms energy: -93.958627
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -20.689
flat angles C4'-P-C4' energy: -19.949
flat angles P-C4'-P energy: -16.980
tors. eta vs tors. theta energy: -22.005
Dist. restrs. and SS energy: 8.995 (S_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: 311
Temperature: 1.250000
Total energy: -245.617935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.617935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.558810 (E_RNA)
where:
Base-Base interactions energy: -167.561
where: short stacking energy: -73.460
Base-Backbone interact. energy: 1.147
local terms energy: -84.144854
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -18.095
flat angles C4'-P-C4' energy: -20.798
flat angles P-C4'-P energy: -14.847
tors. eta vs tors. theta energy: -17.080
Dist. restrs. and SS energy: 4.941 (S_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: 311
Temperature: 1.300000
Total energy: -249.028032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.028032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.642223 (E_RNA)
where:
Base-Base interactions energy: -162.340
where: short stacking energy: -68.312
Base-Backbone interact. energy: -0.319
local terms energy: -89.982929
where:
bonds (distance) C4'-P energy: -20.794
bonds (distance) P-C4' energy: -21.896
flat angles C4'-P-C4' energy: -19.271
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -18.120
Dist. restrs. and SS energy: 3.614 (S_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: -235.192410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.192410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.979257 (E_RNA)
where:
Base-Base interactions energy: -158.399
where: short stacking energy: -68.219
Base-Backbone interact. energy: 2.889
local terms energy: -86.470096
where:
bonds (distance) C4'-P energy: -20.644
bonds (distance) P-C4' energy: -17.257
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -17.203
tors. eta vs tors. theta energy: -14.185
Dist. restrs. and SS energy: 6.787 (S_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: 312
Temperature: 0.900000
Total energy: -368.349406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.349406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.480425 (E_RNA)
where:
Base-Base interactions energy: -261.312
where: short stacking energy: -99.288
Base-Backbone interact. energy: -0.358
local terms energy: -107.810434
where:
bonds (distance) C4'-P energy: -21.718
bonds (distance) P-C4' energy: -24.962
flat angles C4'-P-C4' energy: -20.626
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -26.574
Dist. restrs. and SS energy: 1.131 (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: 2
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -358.027767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.027767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.784234 (E_RNA)
where:
Base-Base interactions energy: -248.037
where: short stacking energy: -99.294
Base-Backbone interact. energy: -0.722
local terms energy: -111.025598
where:
bonds (distance) C4'-P energy: -23.121
bonds (distance) P-C4' energy: -19.207
flat angles C4'-P-C4' energy: -22.007
flat angles P-C4'-P energy: -17.288
tors. eta vs tors. theta energy: -29.403
Dist. restrs. and SS energy: 1.756 (S_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: 312
Temperature: 1.000000
Total energy: -352.286242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.286242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.453720 (E_RNA)
where:
Base-Base interactions energy: -248.188
where: short stacking energy: -97.685
Base-Backbone interact. energy: 1.143
local terms energy: -105.409374
where:
bonds (distance) C4'-P energy: -20.496
bonds (distance) P-C4' energy: -15.091
flat angles C4'-P-C4' energy: -23.309
flat angles P-C4'-P energy: -16.734
tors. eta vs tors. theta energy: -29.780
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: 4
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -323.026957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.026957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.222345 (E_RNA)
where:
Base-Base interactions energy: -222.981
where: short stacking energy: -93.980
Base-Backbone interact. energy: -0.759
local terms energy: -100.482340
where:
bonds (distance) C4'-P energy: -19.160
bonds (distance) P-C4' energy: -24.894
flat angles C4'-P-C4' energy: -19.477
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -24.243
Dist. restrs. and SS energy: 1.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -330.342309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.342309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.008027 (E_RNA)
where:
Base-Base interactions energy: -234.729
where: short stacking energy: -94.462
Base-Backbone interact. energy: -0.692
local terms energy: -96.586525
where:
bonds (distance) C4'-P energy: -16.746
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -23.520
flat angles P-C4'-P energy: -16.534
tors. eta vs tors. theta energy: -23.521
Dist. restrs. and SS energy: 1.666 (S_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: 312
Temperature: 1.150000
Total energy: -272.745582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.745582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.461162 (E_RNA)
where:
Base-Base interactions energy: -180.656
where: short stacking energy: -92.917
Base-Backbone interact. energy: -0.222
local terms energy: -101.583426
where:
bonds (distance) C4'-P energy: -20.144
bonds (distance) P-C4' energy: -21.130
flat angles C4'-P-C4' energy: -22.133
flat angles P-C4'-P energy: -16.700
tors. eta vs tors. theta energy: -21.477
Dist. restrs. and SS energy: 9.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -262.155322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.155322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.824410 (E_RNA)
where:
Base-Base interactions energy: -167.388
where: short stacking energy: -69.344
Base-Backbone interact. energy: -0.274
local terms energy: -97.162215
where:
bonds (distance) C4'-P energy: -21.160
bonds (distance) P-C4' energy: -18.490
flat angles C4'-P-C4' energy: -23.865
flat angles P-C4'-P energy: -15.894
tors. eta vs tors. theta energy: -17.754
Dist. restrs. and SS energy: 2.669 (S_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: 312
Temperature: 1.250000
Total energy: -260.915482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.915482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.268380 (E_RNA)
where:
Base-Base interactions energy: -176.830
where: short stacking energy: -64.810
Base-Backbone interact. energy: -0.276
local terms energy: -85.161482
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -20.150
flat angles C4'-P-C4' energy: -19.193
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: -11.951
Dist. restrs. and SS energy: 1.353 (S_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: -232.341493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.341493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.439063 (E_RNA)
where:
Base-Base interactions energy: -148.560
where: short stacking energy: -67.550
Base-Backbone interact. energy: 0.645
local terms energy: -89.523626
where:
bonds (distance) C4'-P energy: -18.930
bonds (distance) P-C4' energy: -23.240
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -16.105
tors. eta vs tors. theta energy: -16.391
Dist. restrs. and SS energy: 5.098 (S_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: 312
Temperature: 1.350000
Total energy: -218.695681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.695681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.465301 (E_RNA)
where:
Base-Base interactions energy: -148.761
where: short stacking energy: -57.766
Base-Backbone interact. energy: -0.340
local terms energy: -72.363896
where:
bonds (distance) C4'-P energy: -20.605
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -19.082
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -8.430
Dist. restrs. and SS energy: 2.770 (S_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: 313
Temperature: 0.900000
Total energy: -369.439227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.439227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.640542 (E_RNA)
where:
Base-Base interactions energy: -258.665
where: short stacking energy: -102.577
Base-Backbone interact. energy: -0.355
local terms energy: -111.621027
where:
bonds (distance) C4'-P energy: -20.838
bonds (distance) P-C4' energy: -24.014
flat angles C4'-P-C4' energy: -24.461
flat angles P-C4'-P energy: -15.543
tors. eta vs tors. theta energy: -26.765
Dist. restrs. and SS energy: 1.201 (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: 8
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -364.634604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.634604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.158550 (E_RNA)
where:
Base-Base interactions energy: -257.723
where: short stacking energy: -83.723
Base-Backbone interact. energy: -1.643
local terms energy: -106.792623
where:
bonds (distance) C4'-P energy: -20.413
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -23.949
flat angles P-C4'-P energy: -14.980
tors. eta vs tors. theta energy: -26.933
Dist. restrs. and SS energy: 1.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -351.008184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.008184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.677433 (E_RNA)
where:
Base-Base interactions energy: -251.077
where: short stacking energy: -98.354
Base-Backbone interact. energy: -0.476
local terms energy: -100.124570
where:
bonds (distance) C4'-P energy: -17.158
bonds (distance) P-C4' energy: -23.730
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -15.373
tors. eta vs tors. theta energy: -26.281
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: 4, replica: 1
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -344.050930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.050930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.657713 (E_RNA)
where:
Base-Base interactions energy: -245.014
where: short stacking energy: -90.795
Base-Backbone interact. energy: -0.131
local terms energy: -100.512848
where:
bonds (distance) C4'-P energy: -19.046
bonds (distance) P-C4' energy: -18.879
flat angles C4'-P-C4' energy: -21.165
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -27.160
Dist. restrs. and SS energy: 1.607 (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: 4
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -292.241596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.241596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.064330 (E_RNA)
where:
Base-Base interactions energy: -206.579
where: short stacking energy: -85.403
Base-Backbone interact. energy: -0.342
local terms energy: -86.143423
where:
bonds (distance) C4'-P energy: -18.833
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -21.957
Dist. restrs. and SS energy: 0.823 (S_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: 313
Temperature: 1.150000
Total energy: -280.597607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.597607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.680077 (E_RNA)
where:
Base-Base interactions energy: -185.151
where: short stacking energy: -88.188
Base-Backbone interact. energy: -0.677
local terms energy: -100.851877
where:
bonds (distance) C4'-P energy: -21.045
bonds (distance) P-C4' energy: -16.573
flat angles C4'-P-C4' energy: -24.638
flat angles P-C4'-P energy: -15.941
tors. eta vs tors. theta energy: -22.656
Dist. restrs. and SS energy: 6.082 (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: 7
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -263.440995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.440995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.914450 (E_RNA)
where:
Base-Base interactions energy: -178.379
where: short stacking energy: -74.508
Base-Backbone interact. energy: -0.387
local terms energy: -89.149317
where:
bonds (distance) C4'-P energy: -23.007
bonds (distance) P-C4' energy: -22.552
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -16.616
tors. eta vs tors. theta energy: -15.022
Dist. restrs. and SS energy: 4.473 (S_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: 313
Temperature: 1.250000
Total energy: -248.201871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.201871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.674983 (E_RNA)
where:
Base-Base interactions energy: -170.537
where: short stacking energy: -65.879
Base-Backbone interact. energy: -0.676
local terms energy: -82.461687
where:
bonds (distance) C4'-P energy: -18.691
bonds (distance) P-C4' energy: -21.505
flat angles C4'-P-C4' energy: -19.628
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -11.243
Dist. restrs. and SS energy: 5.473 (S_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: 313
Temperature: 1.300000
Total energy: -226.441064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.441064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.918150 (E_RNA)
where:
Base-Base interactions energy: -142.231
where: short stacking energy: -55.983
Base-Backbone interact. energy: -0.099
local terms energy: -89.588542
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -20.141
flat angles C4'-P-C4' energy: -20.528
flat angles P-C4'-P energy: -19.716
tors. eta vs tors. theta energy: -17.972
Dist. restrs. and SS energy: 5.477 (S_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: 313
Temperature: 1.350000
Total energy: -235.344976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.344976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.354484 (E_RNA)
where:
Base-Base interactions energy: -158.221
where: short stacking energy: -60.821
Base-Backbone interact. energy: -0.701
local terms energy: -78.432777
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -22.537
flat angles C4'-P-C4' energy: -19.149
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -12.061
Dist. restrs. and SS energy: 2.010 (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: 314
Temperature: 0.900000
Total energy: -364.709808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.709808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.307104 (E_RNA)
where:
Base-Base interactions energy: -258.497
where: short stacking energy: -95.977
Base-Backbone interact. energy: -0.548
local terms energy: -107.262303
where:
bonds (distance) C4'-P energy: -18.392
bonds (distance) P-C4' energy: -22.256
flat angles C4'-P-C4' energy: -20.264
flat angles P-C4'-P energy: -17.997
tors. eta vs tors. theta energy: -28.353
Dist. restrs. and SS energy: 1.597 (S_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: 314
Temperature: 0.950000
Total energy: -356.159404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.159404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.467827 (E_RNA)
where:
Base-Base interactions energy: -253.817
where: short stacking energy: -89.248
Base-Backbone interact. energy: -0.781
local terms energy: -102.869888
where:
bonds (distance) C4'-P energy: -19.212
bonds (distance) P-C4' energy: -18.719
flat angles C4'-P-C4' energy: -22.696
flat angles P-C4'-P energy: -15.841
tors. eta vs tors. theta energy: -26.403
Dist. restrs. and SS energy: 1.308 (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: 1
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -351.787338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.787338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.033759 (E_RNA)
where:
Base-Base interactions energy: -245.755
where: short stacking energy: -97.468
Base-Backbone interact. energy: 0.324
local terms energy: -107.603147
where:
bonds (distance) C4'-P energy: -18.610
bonds (distance) P-C4' energy: -23.422
flat angles C4'-P-C4' energy: -18.944
flat angles P-C4'-P energy: -17.673
tors. eta vs tors. theta energy: -28.954
Dist. restrs. and SS energy: 1.246 (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: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -358.720918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.720918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.196264 (E_RNA)
where:
Base-Base interactions energy: -251.882
where: short stacking energy: -94.138
Base-Backbone interact. energy: -0.431
local terms energy: -107.883283
where:
bonds (distance) C4'-P energy: -24.793
bonds (distance) P-C4' energy: -23.324
flat angles C4'-P-C4' energy: -22.604
flat angles P-C4'-P energy: -13.567
tors. eta vs tors. theta energy: -23.595
Dist. restrs. and SS energy: 1.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -297.375324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.375324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.907023 (E_RNA)
where:
Base-Base interactions energy: -193.514
where: short stacking energy: -86.633
Base-Backbone interact. energy: -0.997
local terms energy: -107.396620
where:
bonds (distance) C4'-P energy: -20.979
bonds (distance) P-C4' energy: -22.608
flat angles C4'-P-C4' energy: -24.354
flat angles P-C4'-P energy: -14.550
tors. eta vs tors. theta energy: -24.905
Dist. restrs. and SS energy: 4.532 (S_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: 314
Temperature: 1.150000
Total energy: -300.303691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.303691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.367794 (E_RNA)
where:
Base-Base interactions energy: -213.186
where: short stacking energy: -76.781
Base-Backbone interact. energy: 0.048
local terms energy: -87.230121
where:
bonds (distance) C4'-P energy: -17.694
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -20.004
flat angles P-C4'-P energy: -15.351
tors. eta vs tors. theta energy: -21.124
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: 7, replica: 3
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -268.824495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.824495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.588309 (E_RNA)
where:
Base-Base interactions energy: -179.993
where: short stacking energy: -69.748
Base-Backbone interact. energy: -0.426
local terms energy: -89.170006
where:
bonds (distance) C4'-P energy: -23.320
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -21.031
flat angles P-C4'-P energy: -17.074
tors. eta vs tors. theta energy: -12.282
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: 8, replica: 7
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -277.779886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.779886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.781294 (E_RNA)
where:
Base-Base interactions energy: -185.802
where: short stacking energy: -75.312
Base-Backbone interact. energy: -0.902
local terms energy: -92.077489
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -20.962
flat angles C4'-P-C4' energy: -23.630
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -24.940
Dist. restrs. and SS energy: 1.001 (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: 6
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -227.553772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.553772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.935487 (E_RNA)
where:
Base-Base interactions energy: -156.235
where: short stacking energy: -54.471
Base-Backbone interact. energy: 0.103
local terms energy: -77.803401
where:
bonds (distance) C4'-P energy: -20.414
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -15.428
tors. eta vs tors. theta energy: -9.087
Dist. restrs. and SS energy: 6.382 (S_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: 314
Temperature: 1.350000
Total energy: -255.799968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.799968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.494212 (E_RNA)
where:
Base-Base interactions energy: -174.095
where: short stacking energy: -72.896
Base-Backbone interact. energy: -0.725
local terms energy: -84.674770
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -24.841
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: -15.820
Dist. restrs. and SS energy: 3.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -373.465918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.465918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.920788 (E_RNA)
where:
Base-Base interactions energy: -258.355
where: short stacking energy: -101.915
Base-Backbone interact. energy: -0.191
local terms energy: -116.374160
where:
bonds (distance) C4'-P energy: -19.250
bonds (distance) P-C4' energy: -24.471
flat angles C4'-P-C4' energy: -26.459
flat angles P-C4'-P energy: -16.541
tors. eta vs tors. theta energy: -29.652
Dist. restrs. and SS energy: 1.455 (S_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: 315
Temperature: 0.950000
Total energy: -366.998401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.998401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.502388 (E_RNA)
where:
Base-Base interactions energy: -250.759
where: short stacking energy: -97.243
Base-Backbone interact. energy: -0.097
local terms energy: -117.647034
where:
bonds (distance) C4'-P energy: -19.743
bonds (distance) P-C4' energy: -27.036
flat angles C4'-P-C4' energy: -21.586
flat angles P-C4'-P energy: -19.940
tors. eta vs tors. theta energy: -29.342
Dist. restrs. and SS energy: 1.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -358.787057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.787057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.329558 (E_RNA)
where:
Base-Base interactions energy: -241.392
where: short stacking energy: -98.863
Base-Backbone interact. energy: -2.365
local terms energy: -115.572645
where:
bonds (distance) C4'-P energy: -24.311
bonds (distance) P-C4' energy: -26.533
flat angles C4'-P-C4' energy: -22.187
flat angles P-C4'-P energy: -17.045
tors. eta vs tors. theta energy: -25.496
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: 4, replica: 2
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -340.060575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.060575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.780969 (E_RNA)
where:
Base-Base interactions energy: -242.546
where: short stacking energy: -86.509
Base-Backbone interact. energy: 0.675
local terms energy: -98.909647
where:
bonds (distance) C4'-P energy: -21.957
bonds (distance) P-C4' energy: -19.569
flat angles C4'-P-C4' energy: -20.423
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -22.018
Dist. restrs. and SS energy: 0.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -289.151221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.151221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.516887 (E_RNA)
where:
Base-Base interactions energy: -192.005
where: short stacking energy: -84.061
Base-Backbone interact. energy: -0.863
local terms energy: -99.648555
where:
bonds (distance) C4'-P energy: -23.701
bonds (distance) P-C4' energy: -18.835
flat angles C4'-P-C4' energy: -21.783
flat angles P-C4'-P energy: -15.680
tors. eta vs tors. theta energy: -19.649
Dist. restrs. and SS energy: 3.366 (S_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: 315
Temperature: 1.150000
Total energy: -285.278495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.278495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.974582 (E_RNA)
where:
Base-Base interactions energy: -206.605
where: short stacking energy: -86.286
Base-Backbone interact. energy: -0.263
local terms energy: -80.106479
where:
bonds (distance) C4'-P energy: -18.286
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -18.284
Dist. restrs. and SS energy: 1.696 (S_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: 315
Temperature: 1.200000
Total energy: -277.044776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.044776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.515114 (E_RNA)
where:
Base-Base interactions energy: -192.440
where: short stacking energy: -79.954
Base-Backbone interact. energy: -0.448
local terms energy: -84.627595
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -24.138
flat angles C4'-P-C4' energy: -18.471
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: -18.726
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: 315
Temperature: 1.250000
Total energy: -264.599105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.599105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.447063 (E_RNA)
where:
Base-Base interactions energy: -180.666
where: short stacking energy: -73.856
Base-Backbone interact. energy: -1.156
local terms energy: -85.625212
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -23.988
flat angles P-C4'-P energy: -15.322
tors. eta vs tors. theta energy: -15.507
Dist. restrs. and SS energy: 2.848 (S_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: 315
Temperature: 1.300000
Total energy: -235.066641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.066641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.656147 (E_RNA)
where:
Base-Base interactions energy: -163.465
where: short stacking energy: -59.766
Base-Backbone interact. energy: -1.255
local terms energy: -70.935841
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -24.968
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -9.599
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: 10, replica: 10
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -239.262652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.262652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.746413 (E_RNA)
where:
Base-Base interactions energy: -160.381
where: short stacking energy: -59.834
Base-Backbone interact. energy: -0.473
local terms energy: -78.892284
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -22.503
flat angles P-C4'-P energy: -14.329
tors. eta vs tors. theta energy: -9.474
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: 1, replica: 1
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -367.781801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.781801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.411713 (E_RNA)
where:
Base-Base interactions energy: -255.386
where: short stacking energy: -91.816
Base-Backbone interact. energy: -1.040
local terms energy: -111.986030
where:
bonds (distance) C4'-P energy: -20.808
bonds (distance) P-C4' energy: -25.138
flat angles C4'-P-C4' energy: -22.579
flat angles P-C4'-P energy: -16.308
tors. eta vs tors. theta energy: -27.153
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: 2, replica: 8
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -361.667169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.667169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.740667 (E_RNA)
where:
Base-Base interactions energy: -243.458
where: short stacking energy: -93.078
Base-Backbone interact. energy: -0.274
local terms energy: -118.008998
where:
bonds (distance) C4'-P energy: -21.817
bonds (distance) P-C4' energy: -28.601
flat angles C4'-P-C4' energy: -26.219
flat angles P-C4'-P energy: -14.352
tors. eta vs tors. theta energy: -27.020
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: 316
Temperature: 1.000000
Total energy: -353.770345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.770345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.476247 (E_RNA)
where:
Base-Base interactions energy: -250.786
where: short stacking energy: -88.459
Base-Backbone interact. energy: -0.521
local terms energy: -103.169233
where:
bonds (distance) C4'-P energy: -19.349
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -21.836
flat angles P-C4'-P energy: -19.672
tors. eta vs tors. theta energy: -22.724
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: 4, replica: 9
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -352.564523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.564523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.162308 (E_RNA)
where:
Base-Base interactions energy: -239.185
where: short stacking energy: -93.978
Base-Backbone interact. energy: -0.749
local terms energy: -113.227996
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -23.012
flat angles C4'-P-C4' energy: -23.482
flat angles P-C4'-P energy: -18.034
tors. eta vs tors. theta energy: -31.056
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: 5, replica: 5
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -279.771183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.771183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.806790 (E_RNA)
where:
Base-Base interactions energy: -191.530
where: short stacking energy: -76.135
Base-Backbone interact. energy: -1.558
local terms energy: -92.718758
where:
bonds (distance) C4'-P energy: -21.381
bonds (distance) P-C4' energy: -20.394
flat angles C4'-P-C4' energy: -22.409
flat angles P-C4'-P energy: -11.917
tors. eta vs tors. theta energy: -16.618
Dist. restrs. and SS energy: 6.036 (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: 4
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -283.997685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.997685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.025136 (E_RNA)
where:
Base-Base interactions energy: -189.477
where: short stacking energy: -78.914
Base-Backbone interact. energy: -0.518
local terms energy: -94.030455
where:
bonds (distance) C4'-P energy: -22.454
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -20.054
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: -19.974
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: 7
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -269.245993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.245993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.334368 (E_RNA)
where:
Base-Base interactions energy: -183.037
where: short stacking energy: -70.561
Base-Backbone interact. energy: -0.218
local terms energy: -91.079383
where:
bonds (distance) C4'-P energy: -19.232
bonds (distance) P-C4' energy: -20.901
flat angles C4'-P-C4' energy: -20.549
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -18.392
Dist. restrs. and SS energy: 5.088 (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: 3
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -254.625137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.625137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.575880 (E_RNA)
where:
Base-Base interactions energy: -170.389
where: short stacking energy: -63.175
Base-Backbone interact. energy: -1.194
local terms energy: -85.993281
where:
bonds (distance) C4'-P energy: -21.464
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -15.409
tors. eta vs tors. theta energy: -13.362
Dist. restrs. and SS energy: 2.951 (S_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: 316
Temperature: 1.300000
Total energy: -216.586403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.586403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.510959 (E_RNA)
where:
Base-Base interactions energy: -132.166
where: short stacking energy: -48.285
Base-Backbone interact. energy: -0.345
local terms energy: -85.000589
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -19.992
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -14.981
tors. eta vs tors. theta energy: -14.128
Dist. restrs. and SS energy: 0.925 (S_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: 316
Temperature: 1.350000
Total energy: -225.916524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.916524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.613552 (E_RNA)
where:
Base-Base interactions energy: -148.108
where: short stacking energy: -62.754
Base-Backbone interact. energy: -1.749
local terms energy: -82.756972
where:
bonds (distance) C4'-P energy: -20.979
bonds (distance) P-C4' energy: -24.016
flat angles C4'-P-C4' energy: -18.189
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -8.752
Dist. restrs. and SS energy: 6.697 (S_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: 317
Temperature: 0.900000
Total energy: -383.287871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.287871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.318719 (E_RNA)
where:
Base-Base interactions energy: -267.025
where: short stacking energy: -95.508
Base-Backbone interact. energy: 2.512
local terms energy: -119.805456
where:
bonds (distance) C4'-P energy: -24.379
bonds (distance) P-C4' energy: -24.079
flat angles C4'-P-C4' energy: -23.220
flat angles P-C4'-P energy: -20.804
tors. eta vs tors. theta energy: -27.323
Dist. restrs. and SS energy: 1.031 (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: 2
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -352.926238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.926238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.498263 (E_RNA)
where:
Base-Base interactions energy: -243.997
where: short stacking energy: -91.270
Base-Backbone interact. energy: -0.588
local terms energy: -109.912950
where:
bonds (distance) C4'-P energy: -22.057
bonds (distance) P-C4' energy: -24.993
flat angles C4'-P-C4' energy: -23.613
flat angles P-C4'-P energy: -16.043
tors. eta vs tors. theta energy: -23.207
Dist. restrs. and SS energy: 1.572 (S_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: -361.548706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.548706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.644127 (E_RNA)
where:
Base-Base interactions energy: -253.051
where: short stacking energy: -90.560
Base-Backbone interact. energy: 1.254
local terms energy: -109.846955
where:
bonds (distance) C4'-P energy: -23.465
bonds (distance) P-C4' energy: -23.471
flat angles C4'-P-C4' energy: -20.952
flat angles P-C4'-P energy: -16.679
tors. eta vs tors. theta energy: -25.279
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: 4, replica: 9
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -349.661621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.661621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.642458 (E_RNA)
where:
Base-Base interactions energy: -256.548
where: short stacking energy: -94.189
Base-Backbone interact. energy: -1.136
local terms energy: -92.958236
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -24.472
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -23.849
Dist. restrs. and SS energy: 0.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -292.612401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.612401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.858366 (E_RNA)
where:
Base-Base interactions energy: -194.075
where: short stacking energy: -76.325
Base-Backbone interact. energy: -0.749
local terms energy: -101.034876
where:
bonds (distance) C4'-P energy: -25.007
bonds (distance) P-C4' energy: -22.466
flat angles C4'-P-C4' energy: -22.890
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -19.126
Dist. restrs. and SS energy: 3.246 (S_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: 317
Temperature: 1.150000
Total energy: -291.074408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.074408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.038893 (E_RNA)
where:
Base-Base interactions energy: -201.211
where: short stacking energy: -81.702
Base-Backbone interact. energy: -0.977
local terms energy: -89.851023
where:
bonds (distance) C4'-P energy: -21.190
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -19.002
flat angles P-C4'-P energy: -14.067
tors. eta vs tors. theta energy: -18.693
Dist. restrs. and SS energy: 0.964 (S_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: -280.593304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.593304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.628418 (E_RNA)
where:
Base-Base interactions energy: -204.452
where: short stacking energy: -72.505
Base-Backbone interact. energy: -1.228
local terms energy: -74.948342
where:
bonds (distance) C4'-P energy: -23.191
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -18.014
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -9.300
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: 3
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -274.065741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.065741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.146471 (E_RNA)
where:
Base-Base interactions energy: -192.290
where: short stacking energy: -73.336
Base-Backbone interact. energy: -0.670
local terms energy: -83.186956
where:
bonds (distance) C4'-P energy: -23.552
bonds (distance) P-C4' energy: -20.925
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -12.294
Dist. restrs. and SS energy: 2.081 (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: 6
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -212.183532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.183532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.043659 (E_RNA)
where:
Base-Base interactions energy: -141.148
where: short stacking energy: -55.367
Base-Backbone interact. energy: 0.599
local terms energy: -79.494979
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -21.012
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -13.519
Dist. restrs. and SS energy: 7.860 (S_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: 317
Temperature: 1.350000
Total energy: -204.429873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.429873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.705439 (E_RNA)
where:
Base-Base interactions energy: -130.446
where: short stacking energy: -56.884
Base-Backbone interact. energy: -0.240
local terms energy: -77.019826
where:
bonds (distance) C4'-P energy: -17.917
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -11.982
Dist. restrs. and SS energy: 3.276 (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: 2
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -373.908087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.908087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.567007 (E_RNA)
where:
Base-Base interactions energy: -266.350
where: short stacking energy: -101.105
Base-Backbone interact. energy: -1.104
local terms energy: -108.113028
where:
bonds (distance) C4'-P energy: -21.919
bonds (distance) P-C4' energy: -19.840
flat angles C4'-P-C4' energy: -23.972
flat angles P-C4'-P energy: -15.831
tors. eta vs tors. theta energy: -26.551
Dist. restrs. and SS energy: 1.659 (S_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: -353.934355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.934355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.648973 (E_RNA)
where:
Base-Base interactions energy: -242.036
where: short stacking energy: -93.026
Base-Backbone interact. energy: -0.065
local terms energy: -112.548925
where:
bonds (distance) C4'-P energy: -25.311
bonds (distance) P-C4' energy: -23.652
flat angles C4'-P-C4' energy: -24.940
flat angles P-C4'-P energy: -14.889
tors. eta vs tors. theta energy: -23.756
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: 3, replica: 9
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -346.586000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.586000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.256381 (E_RNA)
where:
Base-Base interactions energy: -239.319
where: short stacking energy: -86.894
Base-Backbone interact. energy: -0.634
local terms energy: -107.303397
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -25.163
flat angles C4'-P-C4' energy: -25.148
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -26.644
Dist. restrs. and SS energy: 0.670 (S_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: -348.040041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.040041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.253984 (E_RNA)
where:
Base-Base interactions energy: -241.029
where: short stacking energy: -97.417
Base-Backbone interact. energy: -1.049
local terms energy: -106.176180
where:
bonds (distance) C4'-P energy: -22.345
bonds (distance) P-C4' energy: -22.286
flat angles C4'-P-C4' energy: -21.164
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -28.039
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: 7
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -299.297603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.297603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.025965 (E_RNA)
where:
Base-Base interactions energy: -199.771
where: short stacking energy: -81.214
Base-Backbone interact. energy: -1.144
local terms energy: -99.110914
where:
bonds (distance) C4'-P energy: -21.213
bonds (distance) P-C4' energy: -22.993
flat angles C4'-P-C4' energy: -18.645
flat angles P-C4'-P energy: -15.822
tors. eta vs tors. theta energy: -20.439
Dist. restrs. and SS energy: 0.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -282.589043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.589043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.518791 (E_RNA)
where:
Base-Base interactions energy: -185.687
where: short stacking energy: -79.208
Base-Backbone interact. energy: -0.265
local terms energy: -97.567293
where:
bonds (distance) C4'-P energy: -21.433
bonds (distance) P-C4' energy: -22.756
flat angles C4'-P-C4' energy: -23.803
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -16.245
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: 7, replica: 4
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -276.169097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.169097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.433208 (E_RNA)
where:
Base-Base interactions energy: -184.214
where: short stacking energy: -85.256
Base-Backbone interact. energy: -0.311
local terms energy: -93.908456
where:
bonds (distance) C4'-P energy: -23.074
bonds (distance) P-C4' energy: -21.786
flat angles C4'-P-C4' energy: -21.300
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -18.204
Dist. restrs. and SS energy: 2.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -248.544957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.544957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.606237 (E_RNA)
where:
Base-Base interactions energy: -162.550
where: short stacking energy: -59.341
Base-Backbone interact. energy: -0.414
local terms energy: -88.642139
where:
bonds (distance) C4'-P energy: -22.492
bonds (distance) P-C4' energy: -20.428
flat angles C4'-P-C4' energy: -19.720
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -13.412
Dist. restrs. and SS energy: 3.061 (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: 10
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -213.998452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.998452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.285418 (E_RNA)
where:
Base-Base interactions energy: -145.163
where: short stacking energy: -57.331
Base-Backbone interact. energy: -0.903
local terms energy: -68.219699
where:
bonds (distance) C4'-P energy: -20.711
bonds (distance) P-C4' energy: -20.340
flat angles C4'-P-C4' energy: -9.242
flat angles P-C4'-P energy: -5.449
tors. eta vs tors. theta energy: -12.478
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: 10, replica: 6
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -202.132776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.132776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.949440 (E_RNA)
where:
Base-Base interactions energy: -134.131
where: short stacking energy: -62.484
Base-Backbone interact. energy: 0.823
local terms energy: -70.641214
where:
bonds (distance) C4'-P energy: -20.106
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -19.646
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -6.940
Dist. restrs. and SS energy: 1.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -372.841860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.841860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.630956 (E_RNA)
where:
Base-Base interactions energy: -262.283
where: short stacking energy: -94.945
Base-Backbone interact. energy: -0.435
local terms energy: -111.913056
where:
bonds (distance) C4'-P energy: -21.188
bonds (distance) P-C4' energy: -20.581
flat angles C4'-P-C4' energy: -25.586
flat angles P-C4'-P energy: -15.343
tors. eta vs tors. theta energy: -29.216
Dist. restrs. and SS energy: 1.789 (S_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: 319
Temperature: 0.950000
Total energy: -360.474451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.474451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.981075 (E_RNA)
where:
Base-Base interactions energy: -255.311
where: short stacking energy: -96.741
Base-Backbone interact. energy: -0.797
local terms energy: -105.873294
where:
bonds (distance) C4'-P energy: -22.929
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -21.532
flat angles P-C4'-P energy: -14.737
tors. eta vs tors. theta energy: -29.624
Dist. restrs. and SS energy: 1.507 (S_DIST_RNA)
chem. 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: -343.168721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.168721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.233049 (E_RNA)
where:
Base-Base interactions energy: -238.785
where: short stacking energy: -93.579
Base-Backbone interact. energy: -0.691
local terms energy: -104.756698
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -26.156
flat angles C4'-P-C4' energy: -18.769
flat angles P-C4'-P energy: -17.956
tors. eta vs tors. theta energy: -26.215
Dist. restrs. and SS energy: 1.064 (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: 8
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -342.542154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.542154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.580121 (E_RNA)
where:
Base-Base interactions energy: -237.567
where: short stacking energy: -87.477
Base-Backbone interact. energy: -0.702
local terms energy: -105.310663
where:
bonds (distance) C4'-P energy: -20.703
bonds (distance) P-C4' energy: -21.595
flat angles C4'-P-C4' energy: -20.568
flat angles P-C4'-P energy: -17.000
tors. eta vs tors. theta energy: -25.444
Dist. restrs. and SS energy: 1.038 (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: 7
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -312.017928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.017928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.607730 (E_RNA)
where:
Base-Base interactions energy: -222.068
where: short stacking energy: -92.940
Base-Backbone interact. energy: -0.502
local terms energy: -91.037586
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -18.493
flat angles P-C4'-P energy: -18.037
tors. eta vs tors. theta energy: -22.795
Dist. restrs. and SS energy: 1.590 (S_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: 319
Temperature: 1.150000
Total energy: -270.455753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.455753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.515937 (E_RNA)
where:
Base-Base interactions energy: -180.517
where: short stacking energy: -77.084
Base-Backbone interact. energy: -0.747
local terms energy: -90.252517
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -23.011
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -21.521
Dist. restrs. and SS energy: 1.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -266.548970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.548970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.933420 (E_RNA)
where:
Base-Base interactions energy: -177.558
where: short stacking energy: -67.501
Base-Backbone interact. energy: -0.283
local terms energy: -90.092334
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -22.724
flat angles C4'-P-C4' energy: -19.592
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -21.167
Dist. restrs. and SS energy: 1.384 (S_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: 319
Temperature: 1.250000
Total energy: -232.687768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.687768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.811262 (E_RNA)
where:
Base-Base interactions energy: -160.509
where: short stacking energy: -67.075
Base-Backbone interact. energy: -1.055
local terms energy: -73.247045
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -22.880
flat angles C4'-P-C4' energy: -19.416
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -8.855
Dist. restrs. and SS energy: 2.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -239.570526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.570526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.775121 (E_RNA)
where:
Base-Base interactions energy: -164.294
where: short stacking energy: -78.651
Base-Backbone interact. energy: -0.003
local terms energy: -79.478444
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -20.256
flat angles P-C4'-P energy: -14.322
tors. eta vs tors. theta energy: -18.629
Dist. restrs. and SS energy: 4.205 (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: 6
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -225.027566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.027566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.848317 (E_RNA)
where:
Base-Base interactions energy: -154.666
where: short stacking energy: -52.438
Base-Backbone interact. energy: -0.403
local terms energy: -71.779177
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -14.308
tors. eta vs tors. theta energy: -12.036
Dist. restrs. and SS energy: 1.821 (S_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: 320
Temperature: 0.900000
Total energy: -370.101407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.101407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.396555 (E_RNA)
where:
Base-Base interactions energy: -255.339
where: short stacking energy: -102.644
Base-Backbone interact. energy: 1.187
local terms energy: -117.244775
where:
bonds (distance) C4'-P energy: -22.485
bonds (distance) P-C4' energy: -24.931
flat angles C4'-P-C4' energy: -21.762
flat angles P-C4'-P energy: -18.205
tors. eta vs tors. theta energy: -29.862
Dist. restrs. and SS energy: 1.295 (S_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: 320
Temperature: 0.950000
Total energy: -355.126429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.126429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.974604 (E_RNA)
where:
Base-Base interactions energy: -254.638
where: short stacking energy: -97.413
Base-Backbone interact. energy: -0.807
local terms energy: -100.529325
where:
bonds (distance) C4'-P energy: -24.194
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -18.915
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -26.927
Dist. restrs. and SS energy: 0.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -352.878109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.878109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.822997 (E_RNA)
where:
Base-Base interactions energy: -240.202
where: short stacking energy: -89.206
Base-Backbone interact. energy: -0.736
local terms energy: -112.885061
where:
bonds (distance) C4'-P energy: -21.957
bonds (distance) P-C4' energy: -23.655
flat angles C4'-P-C4' energy: -20.870
flat angles P-C4'-P energy: -18.446
tors. eta vs tors. theta energy: -27.957
Dist. restrs. and SS energy: 0.945 (S_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: 320
Temperature: 1.050000
Total energy: -338.104019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.104019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.151094 (E_RNA)
where:
Base-Base interactions energy: -229.012
where: short stacking energy: -83.432
Base-Backbone interact. energy: -0.513
local terms energy: -108.625887
where:
bonds (distance) C4'-P energy: -21.020
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -21.605
flat angles P-C4'-P energy: -18.420
tors. eta vs tors. theta energy: -27.877
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: 4
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -283.409308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.409308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.941404 (E_RNA)
where:
Base-Base interactions energy: -189.601
where: short stacking energy: -73.221
Base-Backbone interact. energy: -0.495
local terms energy: -95.845517
where:
bonds (distance) C4'-P energy: -19.783
bonds (distance) P-C4' energy: -26.582
flat angles C4'-P-C4' energy: -18.709
flat angles P-C4'-P energy: -14.609
tors. eta vs tors. theta energy: -16.163
Dist. restrs. and SS energy: 2.532 (S_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: 320
Temperature: 1.150000
Total energy: -279.800011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.800011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.697472 (E_RNA)
where:
Base-Base interactions energy: -181.116
where: short stacking energy: -86.564
Base-Backbone interact. energy: 1.340
local terms energy: -102.921574
where:
bonds (distance) C4'-P energy: -21.064
bonds (distance) P-C4' energy: -16.888
flat angles C4'-P-C4' energy: -26.150
flat angles P-C4'-P energy: -15.505
tors. eta vs tors. theta energy: -23.314
Dist. restrs. and SS energy: 2.897 (S_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: 320
Temperature: 1.200000
Total energy: -230.926305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.926305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.431193 (E_RNA)
where:
Base-Base interactions energy: -155.530
where: short stacking energy: -73.831
Base-Backbone interact. energy: -0.531
local terms energy: -79.369914
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -17.698
flat angles C4'-P-C4' energy: -21.843
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -13.171
Dist. restrs. and SS energy: 4.505 (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: 5
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -266.646106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.646106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.817502 (E_RNA)
where:
Base-Base interactions energy: -176.215
where: short stacking energy: -69.282
Base-Backbone interact. energy: -1.319
local terms energy: -91.283161
where:
bonds (distance) C4'-P energy: -20.583
bonds (distance) P-C4' energy: -19.316
flat angles C4'-P-C4' energy: -19.698
flat angles P-C4'-P energy: -14.434
tors. eta vs tors. theta energy: -17.253
Dist. restrs. and SS energy: 2.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -256.076233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.076233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.545685 (E_RNA)
where:
Base-Base interactions energy: -167.868
where: short stacking energy: -71.494
Base-Backbone interact. energy: -0.791
local terms energy: -88.886095
where:
bonds (distance) C4'-P energy: -21.556
bonds (distance) P-C4' energy: -20.699
flat angles C4'-P-C4' energy: -11.979
flat angles P-C4'-P energy: -14.613
tors. eta vs tors. theta energy: -20.039
Dist. restrs. and SS energy: 1.469 (S_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: -245.217598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.217598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.175280 (E_RNA)
where:
Base-Base interactions energy: -160.114
where: short stacking energy: -72.820
Base-Backbone interact. energy: -0.707
local terms energy: -87.354211
where:
bonds (distance) C4'-P energy: -21.568
bonds (distance) P-C4' energy: -20.446
flat angles C4'-P-C4' energy: -19.825
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -16.690
Dist. restrs. and SS energy: 2.958 (S_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: 321
Temperature: 0.900000
Total energy: -374.963787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.963787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.833412 (E_RNA)
where:
Base-Base interactions energy: -261.964
where: short stacking energy: -100.798
Base-Backbone interact. energy: -1.488
local terms energy: -112.382021
where:
bonds (distance) C4'-P energy: -23.657
bonds (distance) P-C4' energy: -21.071
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -19.121
tors. eta vs tors. theta energy: -29.957
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: 2, replica: 9
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -372.382096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.382096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.447286 (E_RNA)
where:
Base-Base interactions energy: -266.900
where: short stacking energy: -93.633
Base-Backbone interact. energy: -0.027
local terms energy: -106.520288
where:
bonds (distance) C4'-P energy: -9.848
bonds (distance) P-C4' energy: -24.585
flat angles C4'-P-C4' energy: -23.940
flat angles P-C4'-P energy: -16.879
tors. eta vs tors. theta energy: -31.268
Dist. restrs. and SS energy: 1.065 (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: 1
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -350.620770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.620770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.814883 (E_RNA)
where:
Base-Base interactions energy: -243.539
where: short stacking energy: -99.594
Base-Backbone interact. energy: -1.246
local terms energy: -107.030318
where:
bonds (distance) C4'-P energy: -23.485
bonds (distance) P-C4' energy: -20.611
flat angles C4'-P-C4' energy: -22.907
flat angles P-C4'-P energy: -14.739
tors. eta vs tors. theta energy: -25.288
Dist. restrs. and SS energy: 1.194 (S_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: 321
Temperature: 1.050000
Total energy: -325.969677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.969677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.355381 (E_RNA)
where:
Base-Base interactions energy: -215.442
where: short stacking energy: -91.804
Base-Backbone interact. energy: 1.888
local terms energy: -113.801244
where:
bonds (distance) C4'-P energy: -23.684
bonds (distance) P-C4' energy: -26.427
flat angles C4'-P-C4' energy: -21.910
flat angles P-C4'-P energy: -15.951
tors. eta vs tors. theta energy: -25.829
Dist. restrs. and SS energy: 1.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -288.702342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.702342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.274512 (E_RNA)
where:
Base-Base interactions energy: -193.597
where: short stacking energy: -78.643
Base-Backbone interact. energy: -0.283
local terms energy: -95.394899
where:
bonds (distance) C4'-P energy: -23.657
bonds (distance) P-C4' energy: -19.628
flat angles C4'-P-C4' energy: -23.441
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -16.699
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: 10
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -288.441573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.441573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.739423 (E_RNA)
where:
Base-Base interactions energy: -195.661
where: short stacking energy: -93.004
Base-Backbone interact. energy: -1.075
local terms energy: -94.003502
where:
bonds (distance) C4'-P energy: -18.089
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -26.243
flat angles P-C4'-P energy: -14.593
tors. eta vs tors. theta energy: -22.402
Dist. restrs. and SS energy: 2.298 (S_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: 321
Temperature: 1.200000
Total energy: -256.384294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.384294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.331467 (E_RNA)
where:
Base-Base interactions energy: -188.725
where: short stacking energy: -78.784
Base-Backbone interact. energy: -0.246
local terms energy: -72.360272
where:
bonds (distance) C4'-P energy: -17.631
bonds (distance) P-C4' energy: -8.933
flat angles C4'-P-C4' energy: -22.995
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -16.419
Dist. restrs. and SS energy: 4.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -268.262981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.262981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.144320 (E_RNA)
where:
Base-Base interactions energy: -172.824
where: short stacking energy: -72.632
Base-Backbone interact. energy: -0.307
local terms energy: -97.013913
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -27.857
flat angles P-C4'-P energy: -12.063
tors. eta vs tors. theta energy: -22.603
Dist. restrs. and SS energy: 1.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -241.500842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.500842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.813042 (E_RNA)
where:
Base-Base interactions energy: -167.380
where: short stacking energy: -70.826
Base-Backbone interact. energy: -0.190
local terms energy: -80.243577
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -19.621
flat angles C4'-P-C4' energy: -17.737
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -17.584
Dist. restrs. and SS energy: 6.312 (S_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: -211.262066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.262066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.237288 (E_RNA)
where:
Base-Base interactions energy: -129.038
where: short stacking energy: -46.872
Base-Backbone interact. energy: -1.477
local terms energy: -85.721880
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -18.845
flat angles C4'-P-C4' energy: -25.745
flat angles P-C4'-P energy: -19.804
tors. eta vs tors. theta energy: -5.975
Dist. restrs. and SS energy: 4.975 (S_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: 322
Temperature: 0.900000
Total energy: -366.633117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.633117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.186003 (E_RNA)
where:
Base-Base interactions energy: -248.133
where: short stacking energy: -106.393
Base-Backbone interact. energy: -0.775
local terms energy: -119.277280
where:
bonds (distance) C4'-P energy: -23.994
bonds (distance) P-C4' energy: -26.171
flat angles C4'-P-C4' energy: -21.081
flat angles P-C4'-P energy: -17.202
tors. eta vs tors. theta energy: -30.829
Dist. restrs. and SS energy: 1.553 (S_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: 322
Temperature: 0.950000
Total energy: -358.062724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.062724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.309529 (E_RNA)
where:
Base-Base interactions energy: -258.403
where: short stacking energy: -98.003
Base-Backbone interact. energy: 0.538
local terms energy: -101.444464
where:
bonds (distance) C4'-P energy: -18.055
bonds (distance) P-C4' energy: -19.172
flat angles C4'-P-C4' energy: -22.298
flat angles P-C4'-P energy: -15.467
tors. eta vs tors. theta energy: -26.451
Dist. restrs. and SS energy: 1.247 (S_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: 322
Temperature: 1.000000
Total energy: -331.711841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.711841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.030649 (E_RNA)
where:
Base-Base interactions energy: -226.773
where: short stacking energy: -87.344
Base-Backbone interact. energy: -0.694
local terms energy: -104.563663
where:
bonds (distance) C4'-P energy: -22.847
bonds (distance) P-C4' energy: -22.320
flat angles C4'-P-C4' energy: -18.881
flat angles P-C4'-P energy: -14.234
tors. eta vs tors. theta energy: -26.280
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: 1
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -347.487070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.487070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.135617 (E_RNA)
where:
Base-Base interactions energy: -247.500
where: short stacking energy: -94.586
Base-Backbone interact. energy: -0.589
local terms energy: -100.047317
where:
bonds (distance) C4'-P energy: -19.411
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -20.625
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -28.829
Dist. restrs. and SS energy: 0.649 (S_DIST_RNA)
chem. 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: -284.343611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.343611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.618357 (E_RNA)
where:
Base-Base interactions energy: -203.545
where: short stacking energy: -79.482
Base-Backbone interact. energy: -0.238
local terms energy: -81.835402
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -16.993
flat angles C4'-P-C4' energy: -18.775
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -16.009
Dist. restrs. and SS energy: 1.275 (S_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: 322
Temperature: 1.150000
Total energy: -279.532660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.532660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.919372 (E_RNA)
where:
Base-Base interactions energy: -181.772
where: short stacking energy: -71.786
Base-Backbone interact. energy: -0.597
local terms energy: -99.550990
where:
bonds (distance) C4'-P energy: -25.232
bonds (distance) P-C4' energy: -21.203
flat angles C4'-P-C4' energy: -24.561
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -17.079
Dist. restrs. and SS energy: 2.387 (S_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: 322
Temperature: 1.200000
Total energy: -275.713332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.713332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.305970 (E_RNA)
where:
Base-Base interactions energy: -185.435
where: short stacking energy: -80.402
Base-Backbone interact. energy: -0.342
local terms energy: -92.529281
where:
bonds (distance) C4'-P energy: -22.707
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -24.094
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -18.156
Dist. restrs. and SS energy: 2.593 (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: 7
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -252.997206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.997206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.551714 (E_RNA)
where:
Base-Base interactions energy: -175.660
where: short stacking energy: -76.677
Base-Backbone interact. energy: 1.471
local terms energy: -80.362149
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -23.416
flat angles C4'-P-C4' energy: -19.995
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -13.382
Dist. restrs. and SS energy: 1.555 (S_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: -230.638123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.638123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.678794 (E_RNA)
where:
Base-Base interactions energy: -159.875
where: short stacking energy: -61.236
Base-Backbone interact. energy: -0.811
local terms energy: -71.992388
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -17.334
flat angles C4'-P-C4' energy: -18.213
flat angles P-C4'-P energy: -13.583
tors. eta vs tors. theta energy: -11.905
Dist. restrs. and SS energy: 2.041 (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: 5
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -244.095041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.095041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.389172 (E_RNA)
where:
Base-Base interactions energy: -162.795
where: short stacking energy: -78.122
Base-Backbone interact. energy: -0.296
local terms energy: -88.297898
where:
bonds (distance) C4'-P energy: -9.653
bonds (distance) P-C4' energy: -24.305
flat angles C4'-P-C4' energy: -22.207
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -19.255
Dist. restrs. and SS energy: 7.294 (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: 9
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -357.430694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.430694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.300839 (E_RNA)
where:
Base-Base interactions energy: -256.410
where: short stacking energy: -105.451
Base-Backbone interact. energy: -0.340
local terms energy: -101.550770
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -22.391
flat angles C4'-P-C4' energy: -21.107
flat angles P-C4'-P energy: -13.579
tors. eta vs tors. theta energy: -29.187
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: 2, replica: 2
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -363.576177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.576177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.289772 (E_RNA)
where:
Base-Base interactions energy: -260.776
where: short stacking energy: -96.211
Base-Backbone interact. energy: -0.210
local terms energy: -104.304403
where:
bonds (distance) C4'-P energy: -19.983
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -24.984
flat angles P-C4'-P energy: -15.477
tors. eta vs tors. theta energy: -29.992
Dist. restrs. and SS energy: 1.714 (S_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: 323
Temperature: 1.000000
Total energy: -316.213779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.213779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.774556 (E_RNA)
where:
Base-Base interactions energy: -214.501
where: short stacking energy: -91.785
Base-Backbone interact. energy: -0.365
local terms energy: -101.908869
where:
bonds (distance) C4'-P energy: -19.088
bonds (distance) P-C4' energy: -22.571
flat angles C4'-P-C4' energy: -25.580
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -23.832
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: 4, replica: 1
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -344.518043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.518043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.877311 (E_RNA)
where:
Base-Base interactions energy: -245.475
where: short stacking energy: -86.712
Base-Backbone interact. energy: -0.519
local terms energy: -98.883654
where:
bonds (distance) C4'-P energy: -19.409
bonds (distance) P-C4' energy: -20.778
flat angles C4'-P-C4' energy: -19.788
flat angles P-C4'-P energy: -16.139
tors. eta vs tors. theta energy: -22.770
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: 5, replica: 4
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -266.272816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.272816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.996799 (E_RNA)
where:
Base-Base interactions energy: -170.777
where: short stacking energy: -75.881
Base-Backbone interact. energy: -1.878
local terms energy: -98.342190
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -23.502
flat angles C4'-P-C4' energy: -21.707
flat angles P-C4'-P energy: -17.015
tors. eta vs tors. theta energy: -19.961
Dist. restrs. and SS energy: 4.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -271.675370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.675370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.914114 (E_RNA)
where:
Base-Base interactions energy: -188.671
where: short stacking energy: -77.001
Base-Backbone interact. energy: 0.287
local terms energy: -84.530533
where:
bonds (distance) C4'-P energy: -18.206
bonds (distance) P-C4' energy: -13.724
flat angles C4'-P-C4' energy: -21.608
flat angles P-C4'-P energy: -13.179
tors. eta vs tors. theta energy: -17.814
Dist. restrs. and SS energy: 1.239 (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: 10
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -257.816129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.816129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.794871 (E_RNA)
where:
Base-Base interactions energy: -179.101
where: short stacking energy: -66.641
Base-Backbone interact. energy: -0.559
local terms energy: -79.134727
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -16.423
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -15.220
tors. eta vs tors. theta energy: -11.281
Dist. restrs. and SS energy: 0.979 (S_DIST_RNA)
chem. 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: -219.143037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.143037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.028564 (E_RNA)
where:
Base-Base interactions energy: -137.294
where: short stacking energy: -70.953
Base-Backbone interact. energy: -0.701
local terms energy: -86.033337
where:
bonds (distance) C4'-P energy: -23.349
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -18.330
flat angles P-C4'-P energy: -14.783
tors. eta vs tors. theta energy: -12.838
Dist. restrs. and SS energy: 4.886 (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: 323
Temperature: 1.300000
Total energy: -247.596861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.596861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.698192 (E_RNA)
where:
Base-Base interactions energy: -164.687
where: short stacking energy: -69.797
Base-Backbone interact. energy: -0.588
local terms energy: -84.423251
where:
bonds (distance) C4'-P energy: -17.074
bonds (distance) P-C4' energy: -20.114
flat angles C4'-P-C4' energy: -21.361
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -17.580
Dist. restrs. and SS energy: 2.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -233.732746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.732746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.892856 (E_RNA)
where:
Base-Base interactions energy: -159.283
where: short stacking energy: -62.002
Base-Backbone interact. energy: -1.731
local terms energy: -78.879091
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -23.551
flat angles C4'-P-C4' energy: -18.596
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -13.715
Dist. restrs. and SS energy: 6.160 (S_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: 324
Temperature: 0.900000
Total energy: -366.313453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.313453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.668170 (E_RNA)
where:
Base-Base interactions energy: -260.594
where: short stacking energy: -100.705
Base-Backbone interact. energy: 0.376
local terms energy: -107.449862
where:
bonds (distance) C4'-P energy: -23.432
bonds (distance) P-C4' energy: -17.758
flat angles C4'-P-C4' energy: -21.783
flat angles P-C4'-P energy: -17.491
tors. eta vs tors. theta energy: -26.985
Dist. restrs. and SS energy: 1.355 (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: 9
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -356.742075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.742075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.629916 (E_RNA)
where:
Base-Base interactions energy: -250.847
where: short stacking energy: -95.426
Base-Backbone interact. energy: -1.350
local terms energy: -105.432729
where:
bonds (distance) C4'-P energy: -21.105
bonds (distance) P-C4' energy: -21.499
flat angles C4'-P-C4' energy: -20.344
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -28.240
Dist. restrs. and SS energy: 0.888 (S_DIST_RNA)
chem. 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: -353.417396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.417396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.082113 (E_RNA)
where:
Base-Base interactions energy: -243.547
where: short stacking energy: -92.297
Base-Backbone interact. energy: -0.639
local terms energy: -109.896219
where:
bonds (distance) C4'-P energy: -20.474
bonds (distance) P-C4' energy: -24.291
flat angles C4'-P-C4' energy: -22.518
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -28.586
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: 4, replica: 8
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -315.271423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.271423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.866371 (E_RNA)
where:
Base-Base interactions energy: -215.191
where: short stacking energy: -93.738
Base-Backbone interact. energy: -0.419
local terms energy: -101.255689
where:
bonds (distance) C4'-P energy: -19.572
bonds (distance) P-C4' energy: -20.424
flat angles C4'-P-C4' energy: -18.895
flat angles P-C4'-P energy: -19.703
tors. eta vs tors. theta energy: -22.663
Dist. restrs. and SS energy: 1.595 (S_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: 324
Temperature: 1.100000
Total energy: -280.998739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.998739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.070046 (E_RNA)
where:
Base-Base interactions energy: -191.853
where: short stacking energy: -74.133
Base-Backbone interact. energy: -0.171
local terms energy: -89.045215
where:
bonds (distance) C4'-P energy: -18.345
bonds (distance) P-C4' energy: -22.542
flat angles C4'-P-C4' energy: -19.364
flat angles P-C4'-P energy: -14.964
tors. eta vs tors. theta energy: -13.830
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: 6, replica: 4
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -264.911292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.911292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.448347 (E_RNA)
where:
Base-Base interactions energy: -177.909
where: short stacking energy: -74.184
Base-Backbone interact. energy: -0.771
local terms energy: -87.768562
where:
bonds (distance) C4'-P energy: -17.899
bonds (distance) P-C4' energy: -23.463
flat angles C4'-P-C4' energy: -19.657
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -13.759
Dist. restrs. and SS energy: 1.537 (S_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: 324
Temperature: 1.200000
Total energy: -255.072352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.072352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.435529 (E_RNA)
where:
Base-Base interactions energy: -168.726
where: short stacking energy: -65.583
Base-Backbone interact. energy: -0.747
local terms energy: -86.962700
where:
bonds (distance) C4'-P energy: -20.608
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -19.192
flat angles P-C4'-P energy: -14.060
tors. eta vs tors. theta energy: -15.297
Dist. restrs. and SS energy: 1.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -241.876621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.876621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.968398 (E_RNA)
where:
Base-Base interactions energy: -150.580
where: short stacking energy: -74.419
Base-Backbone interact. energy: -0.305
local terms energy: -94.083391
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -24.594
flat angles C4'-P-C4' energy: -19.352
flat angles P-C4'-P energy: -15.113
tors. eta vs tors. theta energy: -19.238
Dist. restrs. and SS energy: 3.092 (S_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: 324
Temperature: 1.300000
Total energy: -247.552291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.552291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.366004 (E_RNA)
where:
Base-Base interactions energy: -158.114
where: short stacking energy: -55.430
Base-Backbone interact. energy: -0.338
local terms energy: -91.913649
where:
bonds (distance) C4'-P energy: -23.129
bonds (distance) P-C4' energy: -19.183
flat angles C4'-P-C4' energy: -20.133
flat angles P-C4'-P energy: -17.663
tors. eta vs tors. theta energy: -11.806
Dist. restrs. and SS energy: 2.814 (S_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: 324
Temperature: 1.350000
Total energy: -225.949338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.949338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.891761 (E_RNA)
where:
Base-Base interactions energy: -154.665
where: short stacking energy: -64.744
Base-Backbone interact. energy: -0.257
local terms energy: -73.969730
where:
bonds (distance) C4'-P energy: -10.713
bonds (distance) P-C4' energy: -20.824
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -16.646
Dist. restrs. and SS energy: 2.942 (S_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: 325
Temperature: 0.900000
Total energy: -363.997904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.997904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.394703 (E_RNA)
where:
Base-Base interactions energy: -259.762
where: short stacking energy: -97.671
Base-Backbone interact. energy: -0.496
local terms energy: -105.136847
where:
bonds (distance) C4'-P energy: -23.730
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -22.332
flat angles P-C4'-P energy: -18.749
tors. eta vs tors. theta energy: -24.299
Dist. restrs. and SS energy: 1.397 (S_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: -345.568603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.568603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.563399 (E_RNA)
where:
Base-Base interactions energy: -239.141
where: short stacking energy: -94.821
Base-Backbone interact. energy: 0.015
local terms energy: -107.437539
where:
bonds (distance) C4'-P energy: -21.951
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -21.384
flat angles P-C4'-P energy: -17.067
tors. eta vs tors. theta energy: -27.988
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: 3, replica: 9
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -352.508655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.508655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.572446 (E_RNA)
where:
Base-Base interactions energy: -248.853
where: short stacking energy: -97.606
Base-Backbone interact. energy: -2.660
local terms energy: -102.059824
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -19.712
flat angles C4'-P-C4' energy: -24.107
flat angles P-C4'-P energy: -15.425
tors. eta vs tors. theta energy: -28.762
Dist. restrs. and SS energy: 1.064 (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: 8
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -315.559437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.559437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.270955 (E_RNA)
where:
Base-Base interactions energy: -213.205
where: short stacking energy: -85.439
Base-Backbone interact. energy: -0.154
local terms energy: -102.912462
where:
bonds (distance) C4'-P energy: -19.910
bonds (distance) P-C4' energy: -22.103
flat angles C4'-P-C4' energy: -24.836
flat angles P-C4'-P energy: -14.968
tors. eta vs tors. theta energy: -21.094
Dist. restrs. and SS energy: 0.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -272.720889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.720889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.312782 (E_RNA)
where:
Base-Base interactions energy: -172.072
where: short stacking energy: -78.487
Base-Backbone interact. energy: -0.853
local terms energy: -103.388086
where:
bonds (distance) C4'-P energy: -19.973
bonds (distance) P-C4' energy: -25.431
flat angles C4'-P-C4' energy: -24.678
flat angles P-C4'-P energy: -15.091
tors. eta vs tors. theta energy: -18.215
Dist. restrs. and SS energy: 3.592 (S_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: 325
Temperature: 1.150000
Total energy: -254.788816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.788816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.795878 (E_RNA)
where:
Base-Base interactions energy: -166.540
where: short stacking energy: -69.815
Base-Backbone interact. energy: 2.221
local terms energy: -91.476746
where:
bonds (distance) C4'-P energy: -20.774
bonds (distance) P-C4' energy: -21.494
flat angles C4'-P-C4' energy: -21.397
flat angles P-C4'-P energy: -13.971
tors. eta vs tors. theta energy: -13.841
Dist. restrs. and SS energy: 1.007 (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: 325
Temperature: 1.200000
Total energy: -254.017648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.017648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.678344 (E_RNA)
where:
Base-Base interactions energy: -166.608
where: short stacking energy: -63.951
Base-Backbone interact. energy: -0.373
local terms energy: -87.697684
where:
bonds (distance) C4'-P energy: -16.112
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -23.035
flat angles P-C4'-P energy: -17.819
tors. eta vs tors. theta energy: -14.040
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: 8, replica: 5
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -246.208550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.208550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.203308 (E_RNA)
where:
Base-Base interactions energy: -160.391
where: short stacking energy: -67.747
Base-Backbone interact. energy: -0.098
local terms energy: -89.713975
where:
bonds (distance) C4'-P energy: -19.974
bonds (distance) P-C4' energy: -19.868
flat angles C4'-P-C4' energy: -24.370
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -12.817
Dist. restrs. and SS energy: 3.995 (S_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: 325
Temperature: 1.300000
Total energy: -215.267786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.267786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.599636 (E_RNA)
where:
Base-Base interactions energy: -135.921
where: short stacking energy: -62.004
Base-Backbone interact. energy: -1.604
local terms energy: -83.074651
where:
bonds (distance) C4'-P energy: -21.812
bonds (distance) P-C4' energy: -20.134
flat angles C4'-P-C4' energy: -24.154
flat angles P-C4'-P energy: -5.701
tors. eta vs tors. theta energy: -11.274
Dist. restrs. and SS energy: 5.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -242.744708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.744708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.273045 (E_RNA)
where:
Base-Base interactions energy: -161.390
where: short stacking energy: -64.575
Base-Backbone interact. energy: 1.092
local terms energy: -87.974550
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -21.705
flat angles C4'-P-C4' energy: -18.017
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -16.984
Dist. restrs. and SS energy: 5.528 (S_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: 326
Temperature: 0.900000
Total energy: -367.107599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.107599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.485437 (E_RNA)
where:
Base-Base interactions energy: -255.021
where: short stacking energy: -98.506
Base-Backbone interact. energy: -0.342
local terms energy: -113.122466
where:
bonds (distance) C4'-P energy: -20.084
bonds (distance) P-C4' energy: -24.063
flat angles C4'-P-C4' energy: -23.549
flat angles P-C4'-P energy: -16.935
tors. eta vs tors. theta energy: -28.492
Dist. restrs. and SS energy: 1.378 (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: 2
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -361.971040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.971040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.955265 (E_RNA)
where:
Base-Base interactions energy: -265.315
where: short stacking energy: -97.099
Base-Backbone interact. energy: 0.669
local terms energy: -99.309388
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -24.277
flat angles C4'-P-C4' energy: -19.977
flat angles P-C4'-P energy: -14.595
tors. eta vs tors. theta energy: -26.716
Dist. restrs. and SS energy: 1.984 (S_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: 326
Temperature: 1.000000
Total energy: -334.955593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.955593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.505099 (E_RNA)
where:
Base-Base interactions energy: -229.032
where: short stacking energy: -94.330
Base-Backbone interact. energy: 3.647
local terms energy: -110.120149
where:
bonds (distance) C4'-P energy: -20.925
bonds (distance) P-C4' energy: -21.057
flat angles C4'-P-C4' energy: -22.399
flat angles P-C4'-P energy: -16.048
tors. eta vs tors. theta energy: -29.691
Dist. restrs. and SS energy: 0.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -343.010803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.010803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.225859 (E_RNA)
where:
Base-Base interactions energy: -235.057
where: short stacking energy: -90.428
Base-Backbone interact. energy: -0.450
local terms energy: -108.718236
where:
bonds (distance) C4'-P energy: -21.146
bonds (distance) P-C4' energy: -23.767
flat angles C4'-P-C4' energy: -24.036
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -26.055
Dist. restrs. and SS energy: 1.215 (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: 3
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -301.287727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.287727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.611656 (E_RNA)
where:
Base-Base interactions energy: -214.789
where: short stacking energy: -97.632
Base-Backbone interact. energy: -0.074
local terms energy: -90.748041
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -17.956
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -15.736
tors. eta vs tors. theta energy: -23.863
Dist. restrs. and SS energy: 4.324 (S_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: 326
Temperature: 1.150000
Total energy: -236.071513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.071513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.572052 (E_RNA)
where:
Base-Base interactions energy: -155.357
where: short stacking energy: -59.086
Base-Backbone interact. energy: 1.938
local terms energy: -83.152881
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -25.708
flat angles C4'-P-C4' energy: -19.391
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: -9.693
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: 7, replica: 5
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -262.754868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.754868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.338347 (E_RNA)
where:
Base-Base interactions energy: -174.419
where: short stacking energy: -73.365
Base-Backbone interact. energy: -0.117
local terms energy: -92.802771
where:
bonds (distance) C4'-P energy: -23.730
bonds (distance) P-C4' energy: -18.950
flat angles C4'-P-C4' energy: -19.759
flat angles P-C4'-P energy: -14.032
tors. eta vs tors. theta energy: -16.332
Dist. restrs. and SS energy: 4.583 (S_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: 326
Temperature: 1.250000
Total energy: -261.184063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.184063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.359415 (E_RNA)
where:
Base-Base interactions energy: -170.723
where: short stacking energy: -77.526
Base-Backbone interact. energy: 0.274
local terms energy: -94.910611
where:
bonds (distance) C4'-P energy: -23.952
bonds (distance) P-C4' energy: -22.100
flat angles C4'-P-C4' energy: -18.578
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -17.288
Dist. restrs. and SS energy: 4.175 (S_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: 326
Temperature: 1.300000
Total energy: -244.938647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.938647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.082797 (E_RNA)
where:
Base-Base interactions energy: -159.477
where: short stacking energy: -68.561
Base-Backbone interact. energy: -0.138
local terms energy: -87.468063
where:
bonds (distance) C4'-P energy: -21.508
bonds (distance) P-C4' energy: -18.914
flat angles C4'-P-C4' energy: -21.858
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -18.732
Dist. restrs. and SS energy: 2.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -212.732839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.732839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.047537 (E_RNA)
where:
Base-Base interactions energy: -139.522
where: short stacking energy: -62.434
Base-Backbone interact. energy: -0.876
local terms energy: -77.649454
where:
bonds (distance) C4'-P energy: -17.671
bonds (distance) P-C4' energy: -23.335
flat angles C4'-P-C4' energy: -21.869
flat angles P-C4'-P energy: -12.280
tors. eta vs tors. theta energy: -2.495
Dist. restrs. and SS energy: 5.315 (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: 1
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -374.531710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.531710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.433884 (E_RNA)
where:
Base-Base interactions energy: -265.638
where: short stacking energy: -97.628
Base-Backbone interact. energy: 1.145
local terms energy: -110.941142
where:
bonds (distance) C4'-P energy: -23.342
bonds (distance) P-C4' energy: -19.879
flat angles C4'-P-C4' energy: -23.233
flat angles P-C4'-P energy: -16.417
tors. eta vs tors. theta energy: -28.071
Dist. restrs. and SS energy: 0.902 (S_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: 327
Temperature: 0.950000
Total energy: -350.762051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.762051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.776703 (E_RNA)
where:
Base-Base interactions energy: -244.084
where: short stacking energy: -95.376
Base-Backbone interact. energy: -0.640
local terms energy: -108.052862
where:
bonds (distance) C4'-P energy: -23.872
bonds (distance) P-C4' energy: -21.268
flat angles C4'-P-C4' energy: -20.828
flat angles P-C4'-P energy: -20.499
tors. eta vs tors. theta energy: -21.585
Dist. restrs. and SS energy: 2.015 (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: 8
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -329.828609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.828609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.049711 (E_RNA)
where:
Base-Base interactions energy: -228.894
where: short stacking energy: -88.770
Base-Backbone interact. energy: -0.756
local terms energy: -101.399782
where:
bonds (distance) C4'-P energy: -23.209
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -21.332
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -25.383
Dist. restrs. and SS energy: 1.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -342.683885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.683885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.204456 (E_RNA)
where:
Base-Base interactions energy: -251.409
where: short stacking energy: -92.947
Base-Backbone interact. energy: 1.702
local terms energy: -93.497727
where:
bonds (distance) C4'-P energy: -20.396
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -18.501
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -25.043
Dist. restrs. and SS energy: 0.521 (S_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: 327
Temperature: 1.100000
Total energy: -303.591165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.591165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.099632 (E_RNA)
where:
Base-Base interactions energy: -210.170
where: short stacking energy: -77.877
Base-Backbone interact. energy: 5.483
local terms energy: -100.412979
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -25.095
flat angles C4'-P-C4' energy: -20.031
flat angles P-C4'-P energy: -14.312
tors. eta vs tors. theta energy: -22.881
Dist. restrs. and SS energy: 1.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -259.054468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.054468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.453367 (E_RNA)
where:
Base-Base interactions energy: -174.348
where: short stacking energy: -78.480
Base-Backbone interact. energy: -1.238
local terms energy: -86.867451
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -17.962
flat angles C4'-P-C4' energy: -19.409
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -20.188
Dist. restrs. and SS energy: 3.399 (S_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: 327
Temperature: 1.200000
Total energy: -257.132300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.132300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.453709 (E_RNA)
where:
Base-Base interactions energy: -168.864
where: short stacking energy: -75.263
Base-Backbone interact. energy: -0.454
local terms energy: -88.135692
where:
bonds (distance) C4'-P energy: -20.935
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -17.420
tors. eta vs tors. theta energy: -13.845
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: 8, replica: 7
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -256.188341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.188341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.619777 (E_RNA)
where:
Base-Base interactions energy: -165.765
where: short stacking energy: -62.772
Base-Backbone interact. energy: -0.683
local terms energy: -92.171578
where:
bonds (distance) C4'-P energy: -16.953
bonds (distance) P-C4' energy: -22.140
flat angles C4'-P-C4' energy: -21.567
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -18.906
Dist. restrs. and SS energy: 2.431 (S_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: 327
Temperature: 1.300000
Total energy: -235.004706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.004706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.094632 (E_RNA)
where:
Base-Base interactions energy: -168.629
where: short stacking energy: -67.869
Base-Backbone interact. energy: -0.939
local terms energy: -68.526749
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -12.929
Dist. restrs. and SS energy: 3.090 (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: 6
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -222.120742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.120742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.713133 (E_RNA)
where:
Base-Base interactions energy: -142.008
where: short stacking energy: -57.315
Base-Backbone interact. energy: -0.438
local terms energy: -80.267927
where:
bonds (distance) C4'-P energy: -22.975
bonds (distance) P-C4' energy: -15.816
flat angles C4'-P-C4' energy: -23.566
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -5.465
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: 2
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -370.794514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.794514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.075666 (E_RNA)
where:
Base-Base interactions energy: -251.746
where: short stacking energy: -100.337
Base-Backbone interact. energy: -0.872
local terms energy: -119.457465
where:
bonds (distance) C4'-P energy: -22.810
bonds (distance) P-C4' energy: -24.289
flat angles C4'-P-C4' energy: -22.409
flat angles P-C4'-P energy: -19.902
tors. eta vs tors. theta energy: -30.047
Dist. restrs. and SS energy: 1.281 (S_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: -367.247721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.247721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.136201 (E_RNA)
where:
Base-Base interactions energy: -254.107
where: short stacking energy: -95.039
Base-Backbone interact. energy: -0.369
local terms energy: -113.659943
where:
bonds (distance) C4'-P energy: -18.601
bonds (distance) P-C4' energy: -20.490
flat angles C4'-P-C4' energy: -25.585
flat angles P-C4'-P energy: -20.313
tors. eta vs tors. theta energy: -28.672
Dist. restrs. and SS energy: 0.888 (S_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: 328
Temperature: 1.000000
Total energy: -350.305827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.305827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.739596 (E_RNA)
where:
Base-Base interactions energy: -249.782
where: short stacking energy: -98.607
Base-Backbone interact. energy: -0.499
local terms energy: -101.458829
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -22.628
flat angles C4'-P-C4' energy: -20.078
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -27.919
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: 4, replica: 8
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -313.534114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.534114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.597394 (E_RNA)
where:
Base-Base interactions energy: -213.983
where: short stacking energy: -84.063
Base-Backbone interact. energy: -0.319
local terms energy: -100.295472
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -22.628
flat angles C4'-P-C4' energy: -23.671
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -24.508
Dist. restrs. and SS energy: 1.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -268.520278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.520278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.984996 (E_RNA)
where:
Base-Base interactions energy: -181.418
where: short stacking energy: -71.586
Base-Backbone interact. energy: -0.328
local terms energy: -89.239465
where:
bonds (distance) C4'-P energy: -20.907
bonds (distance) P-C4' energy: -20.014
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -16.610
tors. eta vs tors. theta energy: -13.585
Dist. restrs. and SS energy: 2.465 (S_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: 328
Temperature: 1.150000
Total energy: -279.046207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.046207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.808135 (E_RNA)
where:
Base-Base interactions energy: -191.389
where: short stacking energy: -74.078
Base-Backbone interact. energy: -1.268
local terms energy: -90.150875
where:
bonds (distance) C4'-P energy: -21.209
bonds (distance) P-C4' energy: -16.115
flat angles C4'-P-C4' energy: -21.347
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -18.371
Dist. restrs. and SS energy: 3.762 (S_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: 328
Temperature: 1.200000
Total energy: -252.285796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.285796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.201479 (E_RNA)
where:
Base-Base interactions energy: -166.689
where: short stacking energy: -76.371
Base-Backbone interact. energy: -0.286
local terms energy: -88.225842
where:
bonds (distance) C4'-P energy: -22.660
bonds (distance) P-C4' energy: -22.672
flat angles C4'-P-C4' energy: -21.887
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -11.213
Dist. restrs. and SS energy: 2.916 (S_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: 328
Temperature: 1.250000
Total energy: -248.128817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.128817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.675607 (E_RNA)
where:
Base-Base interactions energy: -161.387
where: short stacking energy: -74.018
Base-Backbone interact. energy: -0.214
local terms energy: -87.074703
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -20.614
flat angles C4'-P-C4' energy: -21.882
flat angles P-C4'-P energy: -17.448
tors. eta vs tors. theta energy: -13.311
Dist. restrs. and SS energy: 0.547 (S_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: 328
Temperature: 1.300000
Total energy: -257.067858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.067858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.391805 (E_RNA)
where:
Base-Base interactions energy: -182.234
where: short stacking energy: -62.852
Base-Backbone interact. energy: -1.101
local terms energy: -75.056828
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -20.170
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -9.643
Dist. restrs. and SS energy: 1.324 (S_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: 328
Temperature: 1.350000
Total energy: -204.831631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.831631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.228446 (E_RNA)
where:
Base-Base interactions energy: -132.517
where: short stacking energy: -59.948
Base-Backbone interact. energy: -0.316
local terms energy: -75.395467
where:
bonds (distance) C4'-P energy: -19.705
bonds (distance) P-C4' energy: -21.728
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -4.001
Dist. restrs. and SS energy: 3.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -376.617939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.617939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.916774 (E_RNA)
where:
Base-Base interactions energy: -259.014
where: short stacking energy: -104.782
Base-Backbone interact. energy: -0.616
local terms energy: -118.286084
where:
bonds (distance) C4'-P energy: -25.601
bonds (distance) P-C4' energy: -23.821
flat angles C4'-P-C4' energy: -21.586
flat angles P-C4'-P energy: -18.075
tors. eta vs tors. theta energy: -29.202
Dist. restrs. and SS energy: 1.299 (S_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: 329
Temperature: 0.950000
Total energy: -374.328063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.328063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.230165 (E_RNA)
where:
Base-Base interactions energy: -264.503
where: short stacking energy: -105.834
Base-Backbone interact. energy: 1.412
local terms energy: -112.139131
where:
bonds (distance) C4'-P energy: -17.271
bonds (distance) P-C4' energy: -21.586
flat angles C4'-P-C4' energy: -24.656
flat angles P-C4'-P energy: -18.061
tors. eta vs tors. theta energy: -30.566
Dist. restrs. and SS energy: 0.902 (S_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: 329
Temperature: 1.000000
Total energy: -355.522468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.522468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.372545 (E_RNA)
where:
Base-Base interactions energy: -248.878
where: short stacking energy: -108.092
Base-Backbone interact. energy: -0.775
local terms energy: -106.719535
where:
bonds (distance) C4'-P energy: -19.653
bonds (distance) P-C4' energy: -17.222
flat angles C4'-P-C4' energy: -24.853
flat angles P-C4'-P energy: -16.828
tors. eta vs tors. theta energy: -28.164
Dist. restrs. and SS energy: 0.850 (S_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: 329
Temperature: 1.050000
Total energy: -337.762035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.762035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.264470 (E_RNA)
where:
Base-Base interactions energy: -235.550
where: short stacking energy: -91.953
Base-Backbone interact. energy: 1.381
local terms energy: -105.094963
where:
bonds (distance) C4'-P energy: -19.569
bonds (distance) P-C4' energy: -19.775
flat angles C4'-P-C4' energy: -22.392
flat angles P-C4'-P energy: -18.257
tors. eta vs tors. theta energy: -25.102
Dist. restrs. and SS energy: 1.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -268.014800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.014800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.727262 (E_RNA)
where:
Base-Base interactions energy: -182.576
where: short stacking energy: -79.398
Base-Backbone interact. energy: -0.409
local terms energy: -86.742263
where:
bonds (distance) C4'-P energy: -10.266
bonds (distance) P-C4' energy: -18.803
flat angles C4'-P-C4' energy: -20.957
flat angles P-C4'-P energy: -18.339
tors. eta vs tors. theta energy: -18.377
Dist. restrs. and SS energy: 1.712 (S_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: -300.899975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.899975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.994484 (E_RNA)
where:
Base-Base interactions energy: -201.944
where: short stacking energy: -91.818
Base-Backbone interact. energy: -0.075
local terms energy: -103.974803
where:
bonds (distance) C4'-P energy: -23.401
bonds (distance) P-C4' energy: -14.189
flat angles C4'-P-C4' energy: -27.755
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -26.605
Dist. restrs. and SS energy: 5.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -273.045904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.045904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.743159 (E_RNA)
where:
Base-Base interactions energy: -187.174
where: short stacking energy: -84.459
Base-Backbone interact. energy: -0.516
local terms energy: -87.052313
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -10.995
flat angles C4'-P-C4' energy: -22.614
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -24.506
Dist. restrs. and SS energy: 1.697 (S_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: 329
Temperature: 1.250000
Total energy: -221.031074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.031074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.522495 (E_RNA)
where:
Base-Base interactions energy: -143.312
where: short stacking energy: -56.497
Base-Backbone interact. energy: -1.221
local terms energy: -80.988951
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -20.236
flat angles C4'-P-C4' energy: -18.904
flat angles P-C4'-P energy: -18.550
tors. eta vs tors. theta energy: -5.536
Dist. restrs. and SS energy: 4.491 (S_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: 329
Temperature: 1.300000
Total energy: -228.692183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.692183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.202994 (E_RNA)
where:
Base-Base interactions energy: -138.324
where: short stacking energy: -53.427
Base-Backbone interact. energy: -1.420
local terms energy: -92.458798
where:
bonds (distance) C4'-P energy: -23.324
bonds (distance) P-C4' energy: -23.654
flat angles C4'-P-C4' energy: -21.650
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -12.726
Dist. restrs. and SS energy: 3.511 (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: 6
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -198.690750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.690750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.078490 (E_RNA)
where:
Base-Base interactions energy: -117.194
where: short stacking energy: -46.723
Base-Backbone interact. energy: -1.529
local terms energy: -88.354817
where:
bonds (distance) C4'-P energy: -20.065
bonds (distance) P-C4' energy: -24.435
flat angles C4'-P-C4' energy: -21.946
flat angles P-C4'-P energy: -14.403
tors. eta vs tors. theta energy: -7.505
Dist. restrs. and SS energy: 8.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -369.617818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.617818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.427635 (E_RNA)
where:
Base-Base interactions energy: -253.113
where: short stacking energy: -98.902
Base-Backbone interact. energy: -0.795
local terms energy: -117.520001
where:
bonds (distance) C4'-P energy: -25.326
bonds (distance) P-C4' energy: -23.416
flat angles C4'-P-C4' energy: -23.387
flat angles P-C4'-P energy: -18.300
tors. eta vs tors. theta energy: -27.092
Dist. restrs. and SS energy: 1.810 (S_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: 330
Temperature: 0.950000
Total energy: -357.481182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.481182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.115846 (E_RNA)
where:
Base-Base interactions energy: -249.073
where: short stacking energy: -91.705
Base-Backbone interact. energy: -0.860
local terms energy: -110.182631
where:
bonds (distance) C4'-P energy: -22.706
bonds (distance) P-C4' energy: -27.104
flat angles C4'-P-C4' energy: -24.415
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -23.921
Dist. restrs. and SS energy: 2.635 (S_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: 330
Temperature: 1.000000
Total energy: -335.771683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.771683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.017232 (E_RNA)
where:
Base-Base interactions energy: -229.389
where: short stacking energy: -79.127
Base-Backbone interact. energy: -0.307
local terms energy: -106.321446
where:
bonds (distance) C4'-P energy: -24.453
bonds (distance) P-C4' energy: -19.600
flat angles C4'-P-C4' energy: -23.127
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -26.658
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: 9
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -324.322552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.322552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.342952 (E_RNA)
where:
Base-Base interactions energy: -232.222
where: short stacking energy: -86.305
Base-Backbone interact. energy: 0.555
local terms energy: -93.675448
where:
bonds (distance) C4'-P energy: -17.436
bonds (distance) P-C4' energy: -22.605
flat angles C4'-P-C4' energy: -20.122
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -19.505
Dist. restrs. and SS energy: 1.020 (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: 330
Temperature: 1.100000
Total energy: -325.056704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.056704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.951237 (E_RNA)
where:
Base-Base interactions energy: -226.426
where: short stacking energy: -98.721
Base-Backbone interact. energy: -0.984
local terms energy: -101.541013
where:
bonds (distance) C4'-P energy: -21.929
bonds (distance) P-C4' energy: -21.790
flat angles C4'-P-C4' energy: -18.705
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -28.571
Dist. restrs. and SS energy: 3.895 (S_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: 330
Temperature: 1.150000
Total energy: -290.710165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.710165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.935944 (E_RNA)
where:
Base-Base interactions energy: -203.653
where: short stacking energy: -88.929
Base-Backbone interact. energy: -0.381
local terms energy: -89.901820
where:
bonds (distance) C4'-P energy: -22.912
bonds (distance) P-C4' energy: -24.602
flat angles C4'-P-C4' energy: -9.333
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -20.224
Dist. restrs. and SS energy: 3.226 (S_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: 330
Temperature: 1.200000
Total energy: -274.140142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.140142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.030955 (E_RNA)
where:
Base-Base interactions energy: -179.717
where: short stacking energy: -74.682
Base-Backbone interact. energy: -0.584
local terms energy: -97.729803
where:
bonds (distance) C4'-P energy: -21.474
bonds (distance) P-C4' energy: -21.957
flat angles C4'-P-C4' energy: -18.962
flat angles P-C4'-P energy: -15.406
tors. eta vs tors. theta energy: -19.932
Dist. restrs. and SS energy: 3.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -250.204806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.204806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.969890 (E_RNA)
where:
Base-Base interactions energy: -174.990
where: short stacking energy: -68.275
Base-Backbone interact. energy: -0.172
local terms energy: -78.807674
where:
bonds (distance) C4'-P energy: -20.898
bonds (distance) P-C4' energy: -12.071
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -18.438
tors. eta vs tors. theta energy: -11.555
Dist. restrs. and SS energy: 3.765 (S_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: 330
Temperature: 1.300000
Total energy: -211.390352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.390352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.888668 (E_RNA)
where:
Base-Base interactions energy: -128.526
where: short stacking energy: -60.042
Base-Backbone interact. energy: -1.360
local terms energy: -87.001772
where:
bonds (distance) C4'-P energy: -22.672
bonds (distance) P-C4' energy: -13.717
flat angles C4'-P-C4' energy: -23.076
flat angles P-C4'-P energy: -16.341
tors. eta vs tors. theta energy: -11.195
Dist. restrs. and SS energy: 5.498 (S_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: 330
Temperature: 1.350000
Total energy: -222.483102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.483102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.251959 (E_RNA)
where:
Base-Base interactions energy: -152.872
where: short stacking energy: -58.532
Base-Backbone interact. energy: 1.131
local terms energy: -74.511646
where:
bonds (distance) C4'-P energy: -19.168
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -13.728
Dist. restrs. and SS energy: 3.769 (S_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: 331
Temperature: 0.900000
Total energy: -367.543921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.543921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.959518 (E_RNA)
where:
Base-Base interactions energy: -250.084
where: short stacking energy: -89.695
Base-Backbone interact. energy: -0.782
local terms energy: -118.092921
where:
bonds (distance) C4'-P energy: -23.634
bonds (distance) P-C4' energy: -24.049
flat angles C4'-P-C4' energy: -23.436
flat angles P-C4'-P energy: -18.559
tors. eta vs tors. theta energy: -28.414
Dist. restrs. and SS energy: 1.416 (S_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: 331
Temperature: 0.950000
Total energy: -362.438122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.438122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.482146 (E_RNA)
where:
Base-Base interactions energy: -247.580
where: short stacking energy: -93.402
Base-Backbone interact. energy: 0.031
local terms energy: -115.933457
where:
bonds (distance) C4'-P energy: -26.342
bonds (distance) P-C4' energy: -25.927
flat angles C4'-P-C4' energy: -22.529
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -29.447
Dist. restrs. and SS energy: 1.044 (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: 8
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -333.976464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.976464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.715760 (E_RNA)
where:
Base-Base interactions energy: -225.283
where: short stacking energy: -91.466
Base-Backbone interact. energy: 0.031
local terms energy: -109.463900
where:
bonds (distance) C4'-P energy: -22.278
bonds (distance) P-C4' energy: -25.042
flat angles C4'-P-C4' energy: -18.928
flat angles P-C4'-P energy: -14.739
tors. eta vs tors. theta energy: -28.477
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: 4, replica: 3
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -343.819163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.819163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.025706 (E_RNA)
where:
Base-Base interactions energy: -235.539
where: short stacking energy: -112.756
Base-Backbone interact. energy: -2.950
local terms energy: -109.536442
where:
bonds (distance) C4'-P energy: -22.541
bonds (distance) P-C4' energy: -16.845
flat angles C4'-P-C4' energy: -22.084
flat angles P-C4'-P energy: -14.602
tors. eta vs tors. theta energy: -33.465
Dist. restrs. and SS energy: 4.207 (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: 9
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -331.487657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.487657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.715811 (E_RNA)
where:
Base-Base interactions energy: -231.664
where: short stacking energy: -91.828
Base-Backbone interact. energy: -0.983
local terms energy: -101.068887
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -23.629
flat angles C4'-P-C4' energy: -20.279
flat angles P-C4'-P energy: -15.804
tors. eta vs tors. theta energy: -25.828
Dist. restrs. and SS energy: 2.228 (S_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: 331
Temperature: 1.150000
Total energy: -285.581562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.581562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.305801 (E_RNA)
where:
Base-Base interactions energy: -190.556
where: short stacking energy: -82.634
Base-Backbone interact. energy: -0.901
local terms energy: -97.848796
where:
bonds (distance) C4'-P energy: -23.179
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -19.501
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: -23.369
Dist. restrs. and SS energy: 3.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -271.951210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.951210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.274641 (E_RNA)
where:
Base-Base interactions energy: -190.245
where: short stacking energy: -77.760
Base-Backbone interact. energy: 2.063
local terms energy: -85.092103
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -25.229
flat angles C4'-P-C4' energy: -18.355
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -17.684
Dist. restrs. and SS energy: 1.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -268.328877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.328877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.678516 (E_RNA)
where:
Base-Base interactions energy: -175.225
where: short stacking energy: -78.874
Base-Backbone interact. energy: 0.170
local terms energy: -95.623942
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -24.704
flat angles C4'-P-C4' energy: -20.546
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -22.062
Dist. restrs. and SS energy: 2.350 (S_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: 331
Temperature: 1.300000
Total energy: -235.706899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.706899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.197891 (E_RNA)
where:
Base-Base interactions energy: -152.608
where: short stacking energy: -73.745
Base-Backbone interact. energy: -0.352
local terms energy: -88.237876
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -20.976
flat angles C4'-P-C4' energy: -23.061
flat angles P-C4'-P energy: -6.570
tors. eta vs tors. theta energy: -20.923
Dist. restrs. and SS energy: 5.491 (S_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: 331
Temperature: 1.350000
Total energy: -236.048146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.048146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.205785 (E_RNA)
where:
Base-Base interactions energy: -155.522
where: short stacking energy: -61.911
Base-Backbone interact. energy: -1.063
local terms energy: -82.620773
where:
bonds (distance) C4'-P energy: -19.763
bonds (distance) P-C4' energy: -21.424
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -15.999
Dist. restrs. and SS energy: 3.158 (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: 1
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -369.653544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.653544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.685728 (E_RNA)
where:
Base-Base interactions energy: -249.975
where: short stacking energy: -100.679
Base-Backbone interact. energy: -2.819
local terms energy: -117.892181
where:
bonds (distance) C4'-P energy: -25.301
bonds (distance) P-C4' energy: -25.890
flat angles C4'-P-C4' energy: -18.127
flat angles P-C4'-P energy: -17.573
tors. eta vs tors. theta energy: -31.001
Dist. restrs. and SS energy: 1.032 (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: 332
Temperature: 0.950000
Total energy: -352.843764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.843764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.014721 (E_RNA)
where:
Base-Base interactions energy: -249.677
where: short stacking energy: -98.408
Base-Backbone interact. energy: -1.060
local terms energy: -103.277637
where:
bonds (distance) C4'-P energy: -22.407
bonds (distance) P-C4' energy: -22.784
flat angles C4'-P-C4' energy: -20.618
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -25.682
Dist. restrs. and SS energy: 1.171 (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: 8
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -339.612203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.612203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.666913 (E_RNA)
where:
Base-Base interactions energy: -236.460
where: short stacking energy: -107.827
Base-Backbone interact. energy: -0.810
local terms energy: -102.396960
where:
bonds (distance) C4'-P energy: -18.243
bonds (distance) P-C4' energy: -21.034
flat angles C4'-P-C4' energy: -22.032
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -29.557
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: 3
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -334.970748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.970748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.285031 (E_RNA)
where:
Base-Base interactions energy: -239.111
where: short stacking energy: -83.946
Base-Backbone interact. energy: -0.634
local terms energy: -99.540508
where:
bonds (distance) C4'-P energy: -22.619
bonds (distance) P-C4' energy: -17.842
flat angles C4'-P-C4' energy: -21.595
flat angles P-C4'-P energy: -16.561
tors. eta vs tors. theta energy: -20.924
Dist. restrs. and SS energy: 4.314 (S_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: 332
Temperature: 1.100000
Total energy: -332.581764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.581764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.592834 (E_RNA)
where:
Base-Base interactions energy: -233.771
where: short stacking energy: -92.362
Base-Backbone interact. energy: -0.708
local terms energy: -99.114208
where:
bonds (distance) C4'-P energy: -19.199
bonds (distance) P-C4' energy: -18.856
flat angles C4'-P-C4' energy: -19.954
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -27.055
Dist. restrs. and SS energy: 1.011 (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: 4
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -268.813673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.813673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.130520 (E_RNA)
where:
Base-Base interactions energy: -185.876
where: short stacking energy: -68.174
Base-Backbone interact. energy: -0.118
local terms energy: -85.136880
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -19.901
flat angles C4'-P-C4' energy: -20.770
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -17.565
Dist. restrs. and SS energy: 2.317 (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: 5
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -255.393883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.393883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.782720 (E_RNA)
where:
Base-Base interactions energy: -165.021
where: short stacking energy: -70.166
Base-Backbone interact. energy: -1.671
local terms energy: -90.091372
where:
bonds (distance) C4'-P energy: -20.451
bonds (distance) P-C4' energy: -21.572
flat angles C4'-P-C4' energy: -20.089
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -17.928
Dist. restrs. and SS energy: 1.389 (S_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: 332
Temperature: 1.250000
Total energy: -235.599099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.599099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.228706 (E_RNA)
where:
Base-Base interactions energy: -158.913
where: short stacking energy: -58.660
Base-Backbone interact. energy: -0.967
local terms energy: -77.348560
where:
bonds (distance) C4'-P energy: -22.648
bonds (distance) P-C4' energy: -23.623
flat angles C4'-P-C4' energy: -10.147
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -9.199
Dist. restrs. and SS energy: 1.630 (S_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: 332
Temperature: 1.300000
Total energy: -266.933058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.933058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.231057 (E_RNA)
where:
Base-Base interactions energy: -186.055
where: short stacking energy: -74.104
Base-Backbone interact. energy: -0.615
local terms energy: -80.560647
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -20.494
flat angles C4'-P-C4' energy: -23.126
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -17.536
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: 10, replica: 6
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -243.009482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.009482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.880637 (E_RNA)
where:
Base-Base interactions energy: -157.723
where: short stacking energy: -68.876
Base-Backbone interact. energy: -0.315
local terms energy: -86.842867
where:
bonds (distance) C4'-P energy: -19.464
bonds (distance) P-C4' energy: -19.397
flat angles C4'-P-C4' energy: -19.304
flat angles P-C4'-P energy: -16.465
tors. eta vs tors. theta energy: -12.213
Dist. restrs. and SS energy: 1.871 (S_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: 333
Temperature: 0.900000
Total energy: -362.666014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.666014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.454568 (E_RNA)
where:
Base-Base interactions energy: -256.275
where: short stacking energy: -104.777
Base-Backbone interact. energy: -0.409
local terms energy: -106.770877
where:
bonds (distance) C4'-P energy: -18.881
bonds (distance) P-C4' energy: -20.929
flat angles C4'-P-C4' energy: -21.328
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -30.977
Dist. restrs. and SS energy: 0.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -346.393423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.393423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.000388 (E_RNA)
where:
Base-Base interactions energy: -237.308
where: short stacking energy: -92.123
Base-Backbone interact. energy: -1.420
local terms energy: -109.272129
where:
bonds (distance) C4'-P energy: -21.974
bonds (distance) P-C4' energy: -23.998
flat angles C4'-P-C4' energy: -23.614
flat angles P-C4'-P energy: -14.252
tors. eta vs tors. theta energy: -25.433
Dist. restrs. and SS energy: 1.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -358.981560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.981560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.678864 (E_RNA)
where:
Base-Base interactions energy: -239.663
where: short stacking energy: -91.283
Base-Backbone interact. energy: -0.704
local terms energy: -119.311462
where:
bonds (distance) C4'-P energy: -25.166
bonds (distance) P-C4' energy: -25.431
flat angles C4'-P-C4' energy: -24.201
flat angles P-C4'-P energy: -15.264
tors. eta vs tors. theta energy: -29.249
Dist. restrs. and SS energy: 0.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -333.637660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.637660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.291201 (E_RNA)
where:
Base-Base interactions energy: -237.416
where: short stacking energy: -85.787
Base-Backbone interact. energy: -2.078
local terms energy: -97.796792
where:
bonds (distance) C4'-P energy: -19.399
bonds (distance) P-C4' energy: -23.607
flat angles C4'-P-C4' energy: -22.140
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -23.854
Dist. restrs. and SS energy: 3.654 (S_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: 333
Temperature: 1.100000
Total energy: -316.509616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.509616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.618311 (E_RNA)
where:
Base-Base interactions energy: -221.716
where: short stacking energy: -93.631
Base-Backbone interact. energy: -0.063
local terms energy: -95.839898
where:
bonds (distance) C4'-P energy: -20.827
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -20.979
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -27.702
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: 6, replica: 5
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -257.145962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.145962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.761920 (E_RNA)
where:
Base-Base interactions energy: -182.938
where: short stacking energy: -73.143
Base-Backbone interact. energy: 4.151
local terms energy: -79.974492
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -26.211
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -12.123
Dist. restrs. and SS energy: 1.616 (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: 4
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -266.157726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.157726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.923448 (E_RNA)
where:
Base-Base interactions energy: -178.644
where: short stacking energy: -73.875
Base-Backbone interact. energy: -0.694
local terms energy: -90.585693
where:
bonds (distance) C4'-P energy: -22.814
bonds (distance) P-C4' energy: -20.652
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -17.249
Dist. restrs. and SS energy: 3.766 (S_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: 333
Temperature: 1.250000
Total energy: -266.637447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.637447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.854631 (E_RNA)
where:
Base-Base interactions energy: -175.676
where: short stacking energy: -78.553
Base-Backbone interact. energy: -0.698
local terms energy: -92.480533
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -18.099
flat angles C4'-P-C4' energy: -21.254
flat angles P-C4'-P energy: -15.249
tors. eta vs tors. theta energy: -21.837
Dist. restrs. and SS energy: 2.217 (S_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: 333
Temperature: 1.300000
Total energy: -239.450145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.450145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.581592 (E_RNA)
where:
Base-Base interactions energy: -152.741
where: short stacking energy: -62.204
Base-Backbone interact. energy: -0.340
local terms energy: -89.500492
where:
bonds (distance) C4'-P energy: -18.364
bonds (distance) P-C4' energy: -24.100
flat angles C4'-P-C4' energy: -19.898
flat angles P-C4'-P energy: -16.251
tors. eta vs tors. theta energy: -10.887
Dist. restrs. and SS energy: 3.131 (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: 6
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -247.661450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.661450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.971961 (E_RNA)
where:
Base-Base interactions energy: -168.959
where: short stacking energy: -60.298
Base-Backbone interact. energy: -1.570
local terms energy: -80.443405
where:
bonds (distance) C4'-P energy: -22.152
bonds (distance) P-C4' energy: -15.618
flat angles C4'-P-C4' energy: -25.192
flat angles P-C4'-P energy: -5.964
tors. eta vs tors. theta energy: -11.517
Dist. restrs. and SS energy: 3.311 (S_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: 334
Temperature: 0.900000
Total energy: -369.719502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.719502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.545106 (E_RNA)
where:
Base-Base interactions energy: -259.571
where: short stacking energy: -95.687
Base-Backbone interact. energy: -1.074
local terms energy: -109.900045
where:
bonds (distance) C4'-P energy: -22.987
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -27.765
flat angles P-C4'-P energy: -16.619
tors. eta vs tors. theta energy: -24.057
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: 2, replica: 8
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -336.225557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.225557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.988812 (E_RNA)
where:
Base-Base interactions energy: -225.938
where: short stacking energy: -98.868
Base-Backbone interact. energy: -0.911
local terms energy: -110.140123
where:
bonds (distance) C4'-P energy: -22.219
bonds (distance) P-C4' energy: -20.725
flat angles C4'-P-C4' energy: -20.429
flat angles P-C4'-P energy: -19.226
tors. eta vs tors. theta energy: -27.541
Dist. restrs. and SS energy: 0.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -349.223753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.223753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.134954 (E_RNA)
where:
Base-Base interactions energy: -251.192
where: short stacking energy: -96.657
Base-Backbone interact. energy: -1.272
local terms energy: -103.671179
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -21.877
flat angles C4'-P-C4' energy: -23.462
flat angles P-C4'-P energy: -16.439
tors. eta vs tors. theta energy: -26.071
Dist. restrs. and SS energy: 6.911 (S_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: 334
Temperature: 1.050000
Total energy: -350.389226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.389226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.108684 (E_RNA)
where:
Base-Base interactions energy: -241.696
where: short stacking energy: -95.813
Base-Backbone interact. energy: 1.818
local terms energy: -111.229905
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -23.949
flat angles C4'-P-C4' energy: -20.004
flat angles P-C4'-P energy: -19.315
tors. eta vs tors. theta energy: -30.710
Dist. restrs. and SS energy: 0.719 (S_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: 334
Temperature: 1.100000
Total energy: -310.915118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.915118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.984393 (E_RNA)
where:
Base-Base interactions energy: -210.348
where: short stacking energy: -86.269
Base-Backbone interact. energy: -0.176
local terms energy: -101.459777
where:
bonds (distance) C4'-P energy: -19.933
bonds (distance) P-C4' energy: -18.050
flat angles C4'-P-C4' energy: -24.536
flat angles P-C4'-P energy: -17.928
tors. eta vs tors. theta energy: -21.012
Dist. restrs. and SS energy: 1.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -277.360886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.360886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.778148 (E_RNA)
where:
Base-Base interactions energy: -187.781
where: short stacking energy: -82.950
Base-Backbone interact. energy: -0.390
local terms energy: -91.606433
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -20.395
flat angles C4'-P-C4' energy: -20.056
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -21.721
Dist. restrs. and SS energy: 2.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -260.794114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.794114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.088379 (E_RNA)
where:
Base-Base interactions energy: -177.726
where: short stacking energy: -76.814
Base-Backbone interact. energy: -0.045
local terms energy: -85.317732
where:
bonds (distance) C4'-P energy: -21.343
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -18.653
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -14.479
Dist. restrs. and SS energy: 2.294 (S_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: 334
Temperature: 1.250000
Total energy: -285.294598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.294598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.769249 (E_RNA)
where:
Base-Base interactions energy: -196.732
where: short stacking energy: -79.232
Base-Backbone interact. energy: 0.654
local terms energy: -90.691635
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -17.204
flat angles C4'-P-C4' energy: -18.658
flat angles P-C4'-P energy: -14.031
tors. eta vs tors. theta energy: -24.465
Dist. restrs. and SS energy: 1.475 (S_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: 334
Temperature: 1.300000
Total energy: -247.729765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.729765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.603466 (E_RNA)
where:
Base-Base interactions energy: -167.873
where: short stacking energy: -67.536
Base-Backbone interact. energy: 0.050
local terms energy: -82.780342
where:
bonds (distance) C4'-P energy: -20.129
bonds (distance) P-C4' energy: -19.029
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -13.742
tors. eta vs tors. theta energy: -16.359
Dist. restrs. and SS energy: 2.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -200.600486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.600486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.146171 (E_RNA)
where:
Base-Base interactions energy: -142.509
where: short stacking energy: -50.451
Base-Backbone interact. energy: -0.359
local terms energy: -59.277315
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -20.762
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -2.814
Dist. restrs. and SS energy: 1.546 (S_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: 335
Temperature: 0.900000
Total energy: -362.018120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.018120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.114608 (E_RNA)
where:
Base-Base interactions energy: -257.650
where: short stacking energy: -91.054
Base-Backbone interact. energy: -2.086
local terms energy: -103.378562
where:
bonds (distance) C4'-P energy: -19.913
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -24.871
flat angles P-C4'-P energy: -16.035
tors. eta vs tors. theta energy: -24.039
Dist. restrs. and SS energy: 1.096 (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: 3
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -346.770989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.770989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.626365 (E_RNA)
where:
Base-Base interactions energy: -239.249
where: short stacking energy: -93.481
Base-Backbone interact. energy: -1.919
local terms energy: -110.458848
where:
bonds (distance) C4'-P energy: -27.352
bonds (distance) P-C4' energy: -21.512
flat angles C4'-P-C4' energy: -21.073
flat angles P-C4'-P energy: -14.627
tors. eta vs tors. theta energy: -25.895
Dist. restrs. and SS energy: 4.855 (S_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: 335
Temperature: 1.000000
Total energy: -325.820916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.820916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.973513 (E_RNA)
where:
Base-Base interactions energy: -219.275
where: short stacking energy: -79.252
Base-Backbone interact. energy: -1.613
local terms energy: -105.085848
where:
bonds (distance) C4'-P energy: -22.860
bonds (distance) P-C4' energy: -24.225
flat angles C4'-P-C4' energy: -24.672
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -22.684
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: 2
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -347.264244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.264244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.137263 (E_RNA)
where:
Base-Base interactions energy: -241.962
where: short stacking energy: -96.049
Base-Backbone interact. energy: -0.535
local terms energy: -106.640343
where:
bonds (distance) C4'-P energy: -22.761
bonds (distance) P-C4' energy: -18.517
flat angles C4'-P-C4' energy: -21.269
flat angles P-C4'-P energy: -16.132
tors. eta vs tors. theta energy: -27.961
Dist. restrs. and SS energy: 1.873 (S_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: 335
Temperature: 1.100000
Total energy: -329.508510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.508510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.027863 (E_RNA)
where:
Base-Base interactions energy: -213.161
where: short stacking energy: -85.163
Base-Backbone interact. energy: 0.918
local terms energy: -117.784353
where:
bonds (distance) C4'-P energy: -22.125
bonds (distance) P-C4' energy: -22.855
flat angles C4'-P-C4' energy: -25.348
flat angles P-C4'-P energy: -18.364
tors. eta vs tors. theta energy: -29.092
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: 5
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -283.928773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.928773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.285552 (E_RNA)
where:
Base-Base interactions energy: -196.638
where: short stacking energy: -79.771
Base-Backbone interact. energy: -0.373
local terms energy: -88.274293
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -21.100
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -13.638
tors. eta vs tors. theta energy: -22.205
Dist. restrs. and SS energy: 1.357 (S_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: 335
Temperature: 1.200000
Total energy: -246.887822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.887822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.835716 (E_RNA)
where:
Base-Base interactions energy: -155.556
where: short stacking energy: -67.504
Base-Backbone interact. energy: -0.296
local terms energy: -93.983494
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -24.051
flat angles C4'-P-C4' energy: -23.511
flat angles P-C4'-P energy: -13.959
tors. eta vs tors. theta energy: -14.033
Dist. restrs. and SS energy: 2.948 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -244.468598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.468598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.951997 (E_RNA)
where:
Base-Base interactions energy: -163.818
where: short stacking energy: -71.550
Base-Backbone interact. energy: -0.355
local terms energy: -83.779861
where:
bonds (distance) C4'-P energy: -20.626
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -19.709
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -17.287
Dist. restrs. and SS energy: 3.483 (S_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: 335
Temperature: 1.300000
Total energy: -253.628952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.628952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.374415 (E_RNA)
where:
Base-Base interactions energy: -175.859
where: short stacking energy: -66.441
Base-Backbone interact. energy: -0.305
local terms energy: -78.210920
where:
bonds (distance) C4'-P energy: -23.678
bonds (distance) P-C4' energy: -18.922
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -7.332
Dist. restrs. and SS energy: 0.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -200.420184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.420184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.914590 (E_RNA)
where:
Base-Base interactions energy: -121.314
where: short stacking energy: -43.120
Base-Backbone interact. energy: 1.504
local terms energy: -82.105167
where:
bonds (distance) C4'-P energy: -20.281
bonds (distance) P-C4' energy: -20.398
flat angles C4'-P-C4' energy: -20.043
flat angles P-C4'-P energy: -18.595
tors. eta vs tors. theta energy: -2.788
Dist. restrs. and SS energy: 1.494 (S_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: 336
Temperature: 0.900000
Total energy: -366.014789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.014789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.179561 (E_RNA)
where:
Base-Base interactions energy: -270.646
where: short stacking energy: -95.895
Base-Backbone interact. energy: -0.903
local terms energy: -95.630375
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -21.609
flat angles C4'-P-C4' energy: -22.741
flat angles P-C4'-P energy: -12.581
tors. eta vs tors. theta energy: -23.055
Dist. restrs. and SS energy: 1.165 (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: 3
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -356.178274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.178274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.889082 (E_RNA)
where:
Base-Base interactions energy: -261.755
where: short stacking energy: -95.007
Base-Backbone interact. energy: -0.771
local terms energy: -96.362647
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -18.039
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -30.515
Dist. restrs. and SS energy: 2.711 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -340.305990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.305990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.664649 (E_RNA)
where:
Base-Base interactions energy: -235.728
where: short stacking energy: -96.222
Base-Backbone interact. energy: -1.168
local terms energy: -104.768105
where:
bonds (distance) C4'-P energy: -18.049
bonds (distance) P-C4' energy: -18.752
flat angles C4'-P-C4' energy: -21.906
flat angles P-C4'-P energy: -17.575
tors. eta vs tors. theta energy: -28.486
Dist. restrs. and SS energy: 1.359 (S_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: 336
Temperature: 1.050000
Total energy: -318.188888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.188888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.164772 (E_RNA)
where:
Base-Base interactions energy: -214.873
where: short stacking energy: -89.252
Base-Backbone interact. energy: -1.118
local terms energy: -103.174173
where:
bonds (distance) C4'-P energy: -18.573
bonds (distance) P-C4' energy: -22.498
flat angles C4'-P-C4' energy: -20.597
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -27.958
Dist. restrs. and SS energy: 0.976 (S_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: 336
Temperature: 1.100000
Total energy: -341.166907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.166907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.282444 (E_RNA)
where:
Base-Base interactions energy: -234.276
where: short stacking energy: -93.952
Base-Backbone interact. energy: 2.710
local terms energy: -109.716745
where:
bonds (distance) C4'-P energy: -18.652
bonds (distance) P-C4' energy: -23.621
flat angles C4'-P-C4' energy: -24.486
flat angles P-C4'-P energy: -18.854
tors. eta vs tors. theta energy: -24.104
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: 336
Temperature: 1.150000
Total energy: -291.603940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.603940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.509288 (E_RNA)
where:
Base-Base interactions energy: -218.562
where: short stacking energy: -74.650
Base-Backbone interact. energy: -0.228
local terms energy: -73.719276
where:
bonds (distance) C4'-P energy: -15.049
bonds (distance) P-C4' energy: -19.624
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -15.139
Dist. restrs. and SS energy: 0.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -253.842922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.842922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.261232 (E_RNA)
where:
Base-Base interactions energy: -177.581
where: short stacking energy: -63.814
Base-Backbone interact. energy: 1.520
local terms energy: -79.200069
where:
bonds (distance) C4'-P energy: -20.503
bonds (distance) P-C4' energy: -24.002
flat angles C4'-P-C4' energy: -18.676
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -8.408
Dist. restrs. and SS energy: 1.418 (S_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: 336
Temperature: 1.250000
Total energy: -230.712370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.712370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.256704 (E_RNA)
where:
Base-Base interactions energy: -153.061
where: short stacking energy: -62.305
Base-Backbone interact. energy: -0.622
local terms energy: -78.573221
where:
bonds (distance) C4'-P energy: -18.061
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -15.544
Dist. restrs. and SS energy: 1.544 (S_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: 336
Temperature: 1.300000
Total energy: -218.007778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.007778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.812395 (E_RNA)
where:
Base-Base interactions energy: -141.250
where: short stacking energy: -62.475
Base-Backbone interact. energy: -0.236
local terms energy: -79.326416
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -22.177
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -9.656
Dist. restrs. and SS energy: 2.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -239.678238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.678238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.558567 (E_RNA)
where:
Base-Base interactions energy: -156.853
where: short stacking energy: -57.632
Base-Backbone interact. energy: -0.156
local terms energy: -83.549521
where:
bonds (distance) C4'-P energy: -20.629
bonds (distance) P-C4' energy: -21.067
flat angles C4'-P-C4' energy: -18.467
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -10.356
Dist. restrs. and SS energy: 0.880 (S_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: 337
Temperature: 0.900000
Total energy: -371.234175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.234175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.768698 (E_RNA)
where:
Base-Base interactions energy: -264.224
where: short stacking energy: -98.077
Base-Backbone interact. energy: -0.971
local terms energy: -107.574033
where:
bonds (distance) C4'-P energy: -21.522
bonds (distance) P-C4' energy: -18.861
flat angles C4'-P-C4' energy: -25.262
flat angles P-C4'-P energy: -15.169
tors. eta vs tors. theta energy: -26.760
Dist. restrs. and SS energy: 1.535 (S_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: 337
Temperature: 0.950000
Total energy: -362.804586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.804586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.750881 (E_RNA)
where:
Base-Base interactions energy: -247.450
where: short stacking energy: -97.371
Base-Backbone interact. energy: -1.390
local terms energy: -114.910190
where:
bonds (distance) C4'-P energy: -24.247
bonds (distance) P-C4' energy: -23.580
flat angles C4'-P-C4' energy: -24.393
flat angles P-C4'-P energy: -15.013
tors. eta vs tors. theta energy: -27.677
Dist. restrs. and SS energy: 0.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -349.205792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.205792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.546557 (E_RNA)
where:
Base-Base interactions energy: -239.441
where: short stacking energy: -95.557
Base-Backbone interact. energy: -0.992
local terms energy: -113.112845
where:
bonds (distance) C4'-P energy: -21.344
bonds (distance) P-C4' energy: -22.467
flat angles C4'-P-C4' energy: -24.980
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -32.098
Dist. restrs. and SS energy: 4.341 (S_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: 337
Temperature: 1.050000
Total energy: -347.639992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.639992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.297935 (E_RNA)
where:
Base-Base interactions energy: -241.006
where: short stacking energy: -89.197
Base-Backbone interact. energy: -0.620
local terms energy: -106.671333
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -19.840
flat angles C4'-P-C4' energy: -23.358
flat angles P-C4'-P energy: -18.761
tors. eta vs tors. theta energy: -32.213
Dist. restrs. and SS energy: 0.658 (S_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: 337
Temperature: 1.100000
Total energy: -307.565414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.565414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.152324 (E_RNA)
where:
Base-Base interactions energy: -202.302
where: short stacking energy: -80.212
Base-Backbone interact. energy: -0.337
local terms energy: -105.513222
where:
bonds (distance) C4'-P energy: -21.768
bonds (distance) P-C4' energy: -20.919
flat angles C4'-P-C4' energy: -21.226
flat angles P-C4'-P energy: -15.971
tors. eta vs tors. theta energy: -25.630
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: 6, replica: 6
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -273.068321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.068321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.781868 (E_RNA)
where:
Base-Base interactions energy: -181.764
where: short stacking energy: -62.497
Base-Backbone interact. energy: -0.226
local terms energy: -92.791573
where:
bonds (distance) C4'-P energy: -21.224
bonds (distance) P-C4' energy: -22.713
flat angles C4'-P-C4' energy: -20.597
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: -14.947
Dist. restrs. and SS energy: 1.714 (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: 5
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -281.129359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.129359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.829217 (E_RNA)
where:
Base-Base interactions energy: -177.675
where: short stacking energy: -67.063
Base-Backbone interact. energy: -0.221
local terms energy: -103.933875
where:
bonds (distance) C4'-P energy: -20.670
bonds (distance) P-C4' energy: -27.309
flat angles C4'-P-C4' energy: -23.064
flat angles P-C4'-P energy: -17.617
tors. eta vs tors. theta energy: -15.274
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: 8, replica: 7
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -229.074787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.074787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.146748 (E_RNA)
where:
Base-Base interactions energy: -153.556
where: short stacking energy: -54.778
Base-Backbone interact. energy: -0.211
local terms energy: -76.380523
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -22.250
flat angles C4'-P-C4' energy: -20.263
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -6.769
Dist. restrs. and SS energy: 1.072 (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: 10
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -217.305266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.305266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.149375 (E_RNA)
where:
Base-Base interactions energy: -138.446
where: short stacking energy: -59.616
Base-Backbone interact. energy: -0.779
local terms energy: -79.924430
where:
bonds (distance) C4'-P energy: -20.383
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -14.706
tors. eta vs tors. theta energy: -9.625
Dist. restrs. and SS energy: 1.844 (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: 337
Temperature: 1.350000
Total energy: -210.899946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.899946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.510002 (E_RNA)
where:
Base-Base interactions energy: -132.204
where: short stacking energy: -48.284
Base-Backbone interact. energy: -1.251
local terms energy: -78.054903
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -25.262
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -15.190
tors. eta vs tors. theta energy: -6.382
Dist. restrs. and SS energy: 0.610 (S_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: 338
Temperature: 0.900000
Total energy: -368.893229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.893229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.580277 (E_RNA)
where:
Base-Base interactions energy: -262.415
where: short stacking energy: -97.257
Base-Backbone interact. energy: 0.946
local terms energy: -109.111689
where:
bonds (distance) C4'-P energy: -19.189
bonds (distance) P-C4' energy: -23.631
flat angles C4'-P-C4' energy: -18.547
flat angles P-C4'-P energy: -16.566
tors. eta vs tors. theta energy: -31.178
Dist. restrs. and SS energy: 1.687 (S_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: 338
Temperature: 0.950000
Total energy: -370.981001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.981001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.464351 (E_RNA)
where:
Base-Base interactions energy: -255.263
where: short stacking energy: -100.041
Base-Backbone interact. energy: -1.090
local terms energy: -115.111178
where:
bonds (distance) C4'-P energy: -22.930
bonds (distance) P-C4' energy: -24.898
flat angles C4'-P-C4' energy: -24.633
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -29.311
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: 3, replica: 9
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -360.964503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.964503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.510415 (E_RNA)
where:
Base-Base interactions energy: -251.931
where: short stacking energy: -96.670
Base-Backbone interact. energy: -0.887
local terms energy: -109.693276
where:
bonds (distance) C4'-P energy: -23.154
bonds (distance) P-C4' energy: -18.957
flat angles C4'-P-C4' energy: -20.838
flat angles P-C4'-P energy: -16.765
tors. eta vs tors. theta energy: -29.978
Dist. restrs. and SS energy: 1.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -338.678959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.678959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.179485 (E_RNA)
where:
Base-Base interactions energy: -237.566
where: short stacking energy: -90.705
Base-Backbone interact. energy: 1.358
local terms energy: -106.971462
where:
bonds (distance) C4'-P energy: -21.854
bonds (distance) P-C4' energy: -18.400
flat angles C4'-P-C4' energy: -25.835
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: -27.691
Dist. restrs. and SS energy: 4.501 (S_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: 338
Temperature: 1.100000
Total energy: -333.727715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.727715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.148687 (E_RNA)
where:
Base-Base interactions energy: -222.257
where: short stacking energy: -93.028
Base-Backbone interact. energy: 0.518
local terms energy: -113.409695
where:
bonds (distance) C4'-P energy: -20.464
bonds (distance) P-C4' energy: -22.342
flat angles C4'-P-C4' energy: -24.511
flat angles P-C4'-P energy: -15.859
tors. eta vs tors. theta energy: -30.233
Dist. restrs. and SS energy: 1.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -281.478435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.478435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.987828 (E_RNA)
where:
Base-Base interactions energy: -188.557
where: short stacking energy: -81.220
Base-Backbone interact. energy: -0.266
local terms energy: -94.165243
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -18.309
flat angles C4'-P-C4' energy: -24.836
flat angles P-C4'-P energy: -16.095
tors. eta vs tors. theta energy: -19.453
Dist. restrs. and SS energy: 1.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -268.402732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.402732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.128872 (E_RNA)
where:
Base-Base interactions energy: -179.829
where: short stacking energy: -72.616
Base-Backbone interact. energy: 0.464
local terms energy: -91.763701
where:
bonds (distance) C4'-P energy: -18.642
bonds (distance) P-C4' energy: -24.327
flat angles C4'-P-C4' energy: -17.976
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -20.089
Dist. restrs. and SS energy: 2.726 (S_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: -244.950673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.950673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.452083 (E_RNA)
where:
Base-Base interactions energy: -154.010
where: short stacking energy: -65.598
Base-Backbone interact. energy: -0.983
local terms energy: -91.458665
where:
bonds (distance) C4'-P energy: -22.218
bonds (distance) P-C4' energy: -20.167
flat angles C4'-P-C4' energy: -22.351
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -14.035
Dist. restrs. and SS energy: 1.501 (S_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: 338
Temperature: 1.300000
Total energy: -240.397472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.397472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.939669 (E_RNA)
where:
Base-Base interactions energy: -167.704
where: short stacking energy: -71.148
Base-Backbone interact. energy: -2.440
local terms energy: -75.795825
where:
bonds (distance) C4'-P energy: -10.618
bonds (distance) P-C4' energy: -23.075
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -10.093
Dist. restrs. and SS energy: 5.542 (S_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: 338
Temperature: 1.350000
Total energy: -214.724007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.724007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.471647 (E_RNA)
where:
Base-Base interactions energy: -143.111
where: short stacking energy: -58.755
Base-Backbone interact. energy: 3.287
local terms energy: -79.647612
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -20.697
flat angles C4'-P-C4' energy: -20.340
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -10.786
Dist. restrs. and SS energy: 4.748 (S_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: 339
Temperature: 0.900000
Total energy: -361.085170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.085170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.402119 (E_RNA)
where:
Base-Base interactions energy: -252.934
where: short stacking energy: -97.558
Base-Backbone interact. energy: -0.571
local terms energy: -108.896748
where:
bonds (distance) C4'-P energy: -21.055
bonds (distance) P-C4' energy: -25.952
flat angles C4'-P-C4' energy: -20.817
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -28.434
Dist. restrs. and SS energy: 1.317 (S_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: 339
Temperature: 0.950000
Total energy: -367.913369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.913369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.877989 (E_RNA)
where:
Base-Base interactions energy: -258.978
where: short stacking energy: -100.662
Base-Backbone interact. energy: -0.618
local terms energy: -109.282129
where:
bonds (distance) C4'-P energy: -18.989
bonds (distance) P-C4' energy: -24.979
flat angles C4'-P-C4' energy: -23.372
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -29.751
Dist. restrs. and SS energy: 0.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -360.531099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.531099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.790173 (E_RNA)
where:
Base-Base interactions energy: -248.424
where: short stacking energy: -92.989
Base-Backbone interact. energy: -1.057
local terms energy: -112.308884
where:
bonds (distance) C4'-P energy: -25.469
bonds (distance) P-C4' energy: -22.263
flat angles C4'-P-C4' energy: -24.424
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -28.513
Dist. restrs. and SS energy: 1.259 (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: 3
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -332.110396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.110396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.629657 (E_RNA)
where:
Base-Base interactions energy: -240.957
where: short stacking energy: -95.062
Base-Backbone interact. energy: 0.343
local terms energy: -94.016263
where:
bonds (distance) C4'-P energy: -19.868
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -16.706
tors. eta vs tors. theta energy: -27.747
Dist. restrs. and SS energy: 2.519 (S_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: 339
Temperature: 1.100000
Total energy: -318.449997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.449997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.878030 (E_RNA)
where:
Base-Base interactions energy: -220.835
where: short stacking energy: -85.490
Base-Backbone interact. energy: 2.352
local terms energy: -101.394422
where:
bonds (distance) C4'-P energy: -26.876
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -23.361
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -22.686
Dist. restrs. and SS energy: 1.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -281.488372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.488372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.658694 (E_RNA)
where:
Base-Base interactions energy: -192.918
where: short stacking energy: -86.622
Base-Backbone interact. energy: -0.717
local terms energy: -92.024460
where:
bonds (distance) C4'-P energy: -19.865
bonds (distance) P-C4' energy: -25.082
flat angles C4'-P-C4' energy: -20.873
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -17.380
Dist. restrs. and SS energy: 4.170 (S_DIST_RNA)
chem. 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: -267.555931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.555931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.279830 (E_RNA)
where:
Base-Base interactions energy: -185.552
where: short stacking energy: -59.585
Base-Backbone interact. energy: -0.828
local terms energy: -81.899621
where:
bonds (distance) C4'-P energy: -20.609
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -20.036
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -11.600
Dist. restrs. and SS energy: 0.724 (S_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: 339
Temperature: 1.250000
Total energy: -248.513755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.513755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.399927 (E_RNA)
where:
Base-Base interactions energy: -170.160
where: short stacking energy: -67.934
Base-Backbone interact. energy: 1.819
local terms energy: -83.059457
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -19.112
flat angles C4'-P-C4' energy: -20.956
flat angles P-C4'-P energy: -16.455
tors. eta vs tors. theta energy: -11.415
Dist. restrs. and SS energy: 2.886 (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: 339
Temperature: 1.300000
Total energy: -235.712398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.712398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.956276 (E_RNA)
where:
Base-Base interactions energy: -153.335
where: short stacking energy: -59.303
Base-Backbone interact. energy: -0.596
local terms energy: -84.025171
where:
bonds (distance) C4'-P energy: -16.716
bonds (distance) P-C4' energy: -16.912
flat angles C4'-P-C4' energy: -24.084
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -13.444
Dist. restrs. and SS energy: 2.244 (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: 10
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -219.528542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.528542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.280901 (E_RNA)
where:
Base-Base interactions energy: -134.305
where: short stacking energy: -58.505
Base-Backbone interact. energy: -1.339
local terms energy: -86.636196
where:
bonds (distance) C4'-P energy: -20.159
bonds (distance) P-C4' energy: -21.295
flat angles C4'-P-C4' energy: -20.277
flat angles P-C4'-P energy: -14.920
tors. eta vs tors. theta energy: -9.986
Dist. restrs. and SS energy: 2.752 (S_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: 340
Temperature: 0.900000
Total energy: -366.099882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.099882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.503445 (E_RNA)
where:
Base-Base interactions energy: -247.770
where: short stacking energy: -108.379
Base-Backbone interact. energy: -1.169
local terms energy: -118.564412
where:
bonds (distance) C4'-P energy: -22.301
bonds (distance) P-C4' energy: -20.427
flat angles C4'-P-C4' energy: -27.501
flat angles P-C4'-P energy: -17.425
tors. eta vs tors. theta energy: -30.911
Dist. restrs. and SS energy: 1.404 (S_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: 340
Temperature: 0.950000
Total energy: -359.168453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.168453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.508795 (E_RNA)
where:
Base-Base interactions energy: -254.687
where: short stacking energy: -93.622
Base-Backbone interact. energy: -1.847
local terms energy: -103.974867
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -25.868
flat angles C4'-P-C4' energy: -20.178
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: -26.510
Dist. restrs. and SS energy: 1.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -350.110479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.110479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.721176 (E_RNA)
where:
Base-Base interactions energy: -243.501
where: short stacking energy: -94.092
Base-Backbone interact. energy: 2.014
local terms energy: -110.234166
where:
bonds (distance) C4'-P energy: -22.057
bonds (distance) P-C4' energy: -22.507
flat angles C4'-P-C4' energy: -24.100
flat angles P-C4'-P energy: -15.296
tors. eta vs tors. theta energy: -26.273
Dist. restrs. and SS energy: 1.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -301.536324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.536324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.229293 (E_RNA)
where:
Base-Base interactions energy: -195.694
where: short stacking energy: -82.584
Base-Backbone interact. energy: -0.862
local terms energy: -108.672994
where:
bonds (distance) C4'-P energy: -21.705
bonds (distance) P-C4' energy: -24.375
flat angles C4'-P-C4' energy: -22.432
flat angles P-C4'-P energy: -15.435
tors. eta vs tors. theta energy: -24.725
Dist. restrs. and SS energy: 3.693 (S_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: 340
Temperature: 1.100000
Total energy: -325.787270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.787270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.510530 (E_RNA)
where:
Base-Base interactions energy: -223.365
where: short stacking energy: -83.184
Base-Backbone interact. energy: -0.094
local terms energy: -103.051248
where:
bonds (distance) C4'-P energy: -17.979
bonds (distance) P-C4' energy: -23.074
flat angles C4'-P-C4' energy: -23.643
flat angles P-C4'-P energy: -13.927
tors. eta vs tors. theta energy: -24.428
Dist. restrs. and SS energy: 0.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -259.903849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.903849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.759495 (E_RNA)
where:
Base-Base interactions energy: -177.376
where: short stacking energy: -75.051
Base-Backbone interact. energy: -0.814
local terms energy: -82.570305
where:
bonds (distance) C4'-P energy: -18.115
bonds (distance) P-C4' energy: -18.134
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -15.743
Dist. restrs. and SS energy: 0.856 (S_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: 340
Temperature: 1.200000
Total energy: -261.304580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.304580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.439489 (E_RNA)
where:
Base-Base interactions energy: -179.443
where: short stacking energy: -71.064
Base-Backbone interact. energy: -0.513
local terms energy: -82.483326
where:
bonds (distance) C4'-P energy: -22.681
bonds (distance) P-C4' energy: -13.034
flat angles C4'-P-C4' energy: -23.767
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -15.850
Dist. restrs. and SS energy: 1.135 (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: 5
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -252.271518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.271518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.709518 (E_RNA)
where:
Base-Base interactions energy: -169.326
where: short stacking energy: -60.952
Base-Backbone interact. energy: -0.826
local terms energy: -82.557038
where:
bonds (distance) C4'-P energy: -16.710
bonds (distance) P-C4' energy: -21.100
flat angles C4'-P-C4' energy: -20.474
flat angles P-C4'-P energy: -14.153
tors. eta vs tors. theta energy: -10.120
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: 9, replica: 7
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -236.903530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.903530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.727910 (E_RNA)
where:
Base-Base interactions energy: -153.190
where: short stacking energy: -66.884
Base-Backbone interact. energy: -0.253
local terms energy: -89.285286
where:
bonds (distance) C4'-P energy: -21.622
bonds (distance) P-C4' energy: -23.881
flat angles C4'-P-C4' energy: -21.931
flat angles P-C4'-P energy: -12.887
tors. eta vs tors. theta energy: -8.963
Dist. restrs. and SS energy: 5.824 (S_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: 340
Temperature: 1.350000
Total energy: -239.663535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.663535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.478640 (E_RNA)
where:
Base-Base interactions energy: -166.333
where: short stacking energy: -61.178
Base-Backbone interact. energy: -1.088
local terms energy: -74.057463
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -20.962
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -6.007
tors. eta vs tors. theta energy: -13.970
Dist. restrs. and SS energy: 1.815 (S_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: 341
Temperature: 0.900000
Total energy: -358.110961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.110961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.442099 (E_RNA)
where:
Base-Base interactions energy: -249.929
where: short stacking energy: -99.534
Base-Backbone interact. energy: -0.897
local terms energy: -108.615526
where:
bonds (distance) C4'-P energy: -25.353
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -25.136
flat angles P-C4'-P energy: -15.401
tors. eta vs tors. theta energy: -24.758
Dist. restrs. and SS energy: 1.331 (S_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: 341
Temperature: 0.950000
Total energy: -364.417462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.417462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.792975 (E_RNA)
where:
Base-Base interactions energy: -258.696
where: short stacking energy: -99.179
Base-Backbone interact. energy: -0.720
local terms energy: -106.376591
where:
bonds (distance) C4'-P energy: -19.115
bonds (distance) P-C4' energy: -25.108
flat angles C4'-P-C4' energy: -18.334
flat angles P-C4'-P energy: -19.894
tors. eta vs tors. theta energy: -23.925
Dist. restrs. and SS energy: 1.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -354.676150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.676150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.619870 (E_RNA)
where:
Base-Base interactions energy: -255.388
where: short stacking energy: -90.489
Base-Backbone interact. energy: -0.786
local terms energy: -99.446335
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -20.402
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -19.558
tors. eta vs tors. theta energy: -27.500
Dist. restrs. and SS energy: 0.944 (S_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: 341
Temperature: 1.050000
Total energy: -326.897936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.897936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.487550 (E_RNA)
where:
Base-Base interactions energy: -225.465
where: short stacking energy: -81.560
Base-Backbone interact. energy: 0.094
local terms energy: -102.116281
where:
bonds (distance) C4'-P energy: -20.935
bonds (distance) P-C4' energy: -24.165
flat angles C4'-P-C4' energy: -23.135
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: -20.233
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: 5, replica: 3
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -305.184801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.184801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.586714 (E_RNA)
where:
Base-Base interactions energy: -211.560
where: short stacking energy: -89.496
Base-Backbone interact. energy: -0.458
local terms energy: -95.569378
where:
bonds (distance) C4'-P energy: -20.683
bonds (distance) P-C4' energy: -18.691
flat angles C4'-P-C4' energy: -24.042
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -20.715
Dist. restrs. and SS energy: 2.402 (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: 4
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -260.937454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.937454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.607239 (E_RNA)
where:
Base-Base interactions energy: -168.886
where: short stacking energy: -72.092
Base-Backbone interact. energy: -0.135
local terms energy: -92.585957
where:
bonds (distance) C4'-P energy: -21.188
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -22.539
flat angles P-C4'-P energy: -15.117
tors. eta vs tors. theta energy: -15.091
Dist. restrs. and SS energy: 0.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -238.894661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.894661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.844651 (E_RNA)
where:
Base-Base interactions energy: -157.376
where: short stacking energy: -66.464
Base-Backbone interact. energy: 0.165
local terms energy: -87.633428
where:
bonds (distance) C4'-P energy: -20.247
bonds (distance) P-C4' energy: -24.424
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -14.748
Dist. restrs. and SS energy: 5.950 (S_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: 341
Temperature: 1.250000
Total energy: -241.661130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.661130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.680316 (E_RNA)
where:
Base-Base interactions energy: -149.473
where: short stacking energy: -61.103
Base-Backbone interact. energy: -0.571
local terms energy: -95.636341
where:
bonds (distance) C4'-P energy: -20.702
bonds (distance) P-C4' energy: -25.231
flat angles C4'-P-C4' energy: -21.715
flat angles P-C4'-P energy: -17.014
tors. eta vs tors. theta energy: -10.973
Dist. restrs. and SS energy: 4.019 (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: 5
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -218.533457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.533457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.327219 (E_RNA)
where:
Base-Base interactions energy: -136.580
where: short stacking energy: -51.417
Base-Backbone interact. energy: -0.391
local terms energy: -83.356167
where:
bonds (distance) C4'-P energy: -19.363
bonds (distance) P-C4' energy: -20.885
flat angles C4'-P-C4' energy: -19.940
flat angles P-C4'-P energy: -14.948
tors. eta vs tors. theta energy: -8.220
Dist. restrs. and SS energy: 1.794 (S_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: 341
Temperature: 1.350000
Total energy: -226.497989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.497989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.597392 (E_RNA)
where:
Base-Base interactions energy: -124.792
where: short stacking energy: -54.875
Base-Backbone interact. energy: -0.303
local terms energy: -105.502002
where:
bonds (distance) C4'-P energy: -20.988
bonds (distance) P-C4' energy: -27.763
flat angles C4'-P-C4' energy: -23.740
flat angles P-C4'-P energy: -15.975
tors. eta vs tors. theta energy: -17.037
Dist. restrs. and SS energy: 4.099 (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: 1
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -366.676546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.676546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.509766 (E_RNA)
where:
Base-Base interactions energy: -262.429
where: short stacking energy: -90.078
Base-Backbone interact. energy: -0.270
local terms energy: -104.811303
where:
bonds (distance) C4'-P energy: -26.320
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -23.311
flat angles P-C4'-P energy: -14.861
tors. eta vs tors. theta energy: -22.623
Dist. restrs. and SS energy: 0.833 (S_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: 342
Temperature: 0.950000
Total energy: -356.633196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.633196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.177988 (E_RNA)
where:
Base-Base interactions energy: -250.273
where: short stacking energy: -98.833
Base-Backbone interact. energy: 0.687
local terms energy: -107.591959
where:
bonds (distance) C4'-P energy: -21.514
bonds (distance) P-C4' energy: -24.118
flat angles C4'-P-C4' energy: -21.709
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -26.537
Dist. restrs. and SS energy: 0.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -346.841520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.841520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.786084 (E_RNA)
where:
Base-Base interactions energy: -239.756
where: short stacking energy: -78.058
Base-Backbone interact. energy: -0.397
local terms energy: -107.633448
where:
bonds (distance) C4'-P energy: -23.170
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -24.293
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: -27.170
Dist. restrs. and SS energy: 0.945 (S_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: 342
Temperature: 1.050000
Total energy: -315.613045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.613045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.968811 (E_RNA)
where:
Base-Base interactions energy: -210.448
where: short stacking energy: -88.027
Base-Backbone interact. energy: -0.369
local terms energy: -106.151453
where:
bonds (distance) C4'-P energy: -20.572
bonds (distance) P-C4' energy: -20.989
flat angles C4'-P-C4' energy: -27.934
flat angles P-C4'-P energy: -14.959
tors. eta vs tors. theta energy: -21.698
Dist. restrs. and SS energy: 1.356 (S_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: 342
Temperature: 1.100000
Total energy: -305.853548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.853548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.351606 (E_RNA)
where:
Base-Base interactions energy: -218.136
where: short stacking energy: -84.072
Base-Backbone interact. energy: -0.452
local terms energy: -88.763200
where:
bonds (distance) C4'-P energy: -20.421
bonds (distance) P-C4' energy: -22.247
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -12.693
tors. eta vs tors. theta energy: -17.458
Dist. restrs. and SS energy: 1.498 (S_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: 342
Temperature: 1.150000
Total energy: -288.234680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.234680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.117410 (E_RNA)
where:
Base-Base interactions energy: -206.513
where: short stacking energy: -90.736
Base-Backbone interact. energy: -0.297
local terms energy: -84.307283
where:
bonds (distance) C4'-P energy: -16.956
bonds (distance) P-C4' energy: -21.488
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -21.421
Dist. restrs. and SS energy: 2.883 (S_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: 342
Temperature: 1.200000
Total energy: -261.992446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.992446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.122028 (E_RNA)
where:
Base-Base interactions energy: -172.967
where: short stacking energy: -69.074
Base-Backbone interact. energy: -0.739
local terms energy: -92.415628
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -16.989
flat angles C4'-P-C4' energy: -22.022
flat angles P-C4'-P energy: -17.404
tors. eta vs tors. theta energy: -13.886
Dist. restrs. and SS energy: 4.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -253.820283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.820283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.553947 (E_RNA)
where:
Base-Base interactions energy: -161.048
where: short stacking energy: -63.779
Base-Backbone interact. energy: -0.114
local terms energy: -93.391163
where:
bonds (distance) C4'-P energy: -20.052
bonds (distance) P-C4' energy: -24.440
flat angles C4'-P-C4' energy: -21.355
flat angles P-C4'-P energy: -14.497
tors. eta vs tors. theta energy: -13.047
Dist. restrs. and SS energy: 0.734 (S_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: 342
Temperature: 1.300000
Total energy: -223.164967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.164967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.207853 (E_RNA)
where:
Base-Base interactions energy: -149.426
where: short stacking energy: -73.735
Base-Backbone interact. energy: 0.134
local terms energy: -85.915441
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -18.578
flat angles C4'-P-C4' energy: -21.391
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -18.461
Dist. restrs. and SS energy: 12.043 (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: 5
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -227.333177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.333177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.751524 (E_RNA)
where:
Base-Base interactions energy: -147.376
where: short stacking energy: -58.497
Base-Backbone interact. energy: 0.399
local terms energy: -81.774528
where:
bonds (distance) C4'-P energy: -19.312
bonds (distance) P-C4' energy: -21.385
flat angles C4'-P-C4' energy: -20.020
flat angles P-C4'-P energy: -15.953
tors. eta vs tors. theta energy: -5.104
Dist. restrs. and SS energy: 1.418 (S_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: 343
Temperature: 0.900000
Total energy: -361.350637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.350637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.082502 (E_RNA)
where:
Base-Base interactions energy: -250.983
where: short stacking energy: -98.451
Base-Backbone interact. energy: -1.096
local terms energy: -110.002718
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -22.555
flat angles C4'-P-C4' energy: -24.546
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -28.422
Dist. restrs. and SS energy: 0.732 (S_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: 343
Temperature: 0.950000
Total energy: -360.104932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.104932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.813898 (E_RNA)
where:
Base-Base interactions energy: -248.154
where: short stacking energy: -99.003
Base-Backbone interact. energy: -1.544
local terms energy: -112.115672
where:
bonds (distance) C4'-P energy: -25.782
bonds (distance) P-C4' energy: -22.985
flat angles C4'-P-C4' energy: -21.154
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -30.163
Dist. restrs. and SS energy: 1.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -356.783409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.783409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.015180 (E_RNA)
where:
Base-Base interactions energy: -248.751
where: short stacking energy: -100.356
Base-Backbone interact. energy: -1.188
local terms energy: -108.076819
where:
bonds (distance) C4'-P energy: -19.314
bonds (distance) P-C4' energy: -19.716
flat angles C4'-P-C4' energy: -24.731
flat angles P-C4'-P energy: -16.513
tors. eta vs tors. theta energy: -27.804
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: 4, replica: 3
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -324.300394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.300394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.538057 (E_RNA)
where:
Base-Base interactions energy: -218.725
where: short stacking energy: -94.722
Base-Backbone interact. energy: 0.572
local terms energy: -107.384407
where:
bonds (distance) C4'-P energy: -22.089
bonds (distance) P-C4' energy: -18.088
flat angles C4'-P-C4' energy: -25.280
flat angles P-C4'-P energy: -15.452
tors. eta vs tors. theta energy: -26.475
Dist. restrs. and SS energy: 1.238 (S_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: 343
Temperature: 1.100000
Total energy: -298.288354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.288354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.615188 (E_RNA)
where:
Base-Base interactions energy: -205.924
where: short stacking energy: -89.619
Base-Backbone interact. energy: -0.764
local terms energy: -92.927081
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -24.307
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -24.546
Dist. restrs. and SS energy: 1.327 (S_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: 343
Temperature: 1.150000
Total energy: -287.342848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.342848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.755557 (E_RNA)
where:
Base-Base interactions energy: -196.580
where: short stacking energy: -73.489
Base-Backbone interact. energy: -0.957
local terms energy: -91.217922
where:
bonds (distance) C4'-P energy: -22.958
bonds (distance) P-C4' energy: -20.748
flat angles C4'-P-C4' energy: -19.056
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -15.224
Dist. restrs. and SS energy: 1.413 (S_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: 343
Temperature: 1.200000
Total energy: -243.935124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.935124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.230807 (E_RNA)
where:
Base-Base interactions energy: -170.781
where: short stacking energy: -62.172
Base-Backbone interact. energy: -0.238
local terms energy: -75.210910
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -22.870
flat angles C4'-P-C4' energy: -18.329
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -12.581
Dist. restrs. and SS energy: 2.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -263.650193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.650193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.306643 (E_RNA)
where:
Base-Base interactions energy: -181.229
where: short stacking energy: -73.822
Base-Backbone interact. energy: -0.019
local terms energy: -84.058095
where:
bonds (distance) C4'-P energy: -16.423
bonds (distance) P-C4' energy: -21.273
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -17.397
Dist. restrs. and SS energy: 1.656 (S_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: -230.890269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.890269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.101007 (E_RNA)
where:
Base-Base interactions energy: -152.577
where: short stacking energy: -61.804
Base-Backbone interact. energy: -0.220
local terms energy: -80.304863
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -22.701
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -16.984
tors. eta vs tors. theta energy: -11.789
Dist. restrs. and SS energy: 2.211 (S_DIST_RNA)
chem. 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: -233.026915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.026915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.298191 (E_RNA)
where:
Base-Base interactions energy: -152.396
where: short stacking energy: -65.671
Base-Backbone interact. energy: 3.786
local terms energy: -85.688622
where:
bonds (distance) C4'-P energy: -18.599
bonds (distance) P-C4' energy: -18.559
flat angles C4'-P-C4' energy: -17.671
flat angles P-C4'-P energy: -15.449
tors. eta vs tors. theta energy: -15.410
Dist. restrs. and SS energy: 1.271 (S_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: 344
Temperature: 0.900000
Total energy: -380.041728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.041728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.590614 (E_RNA)
where:
Base-Base interactions energy: -261.875
where: short stacking energy: -99.528
Base-Backbone interact. energy: -1.455
local terms energy: -118.260781
where:
bonds (distance) C4'-P energy: -22.073
bonds (distance) P-C4' energy: -24.012
flat angles C4'-P-C4' energy: -24.133
flat angles P-C4'-P energy: -14.414
tors. eta vs tors. theta energy: -33.629
Dist. restrs. and SS energy: 1.549 (S_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: 344
Temperature: 0.950000
Total energy: -351.302013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.302013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.762349 (E_RNA)
where:
Base-Base interactions energy: -253.777
where: short stacking energy: -93.992
Base-Backbone interact. energy: -0.309
local terms energy: -98.676639
where:
bonds (distance) C4'-P energy: -17.883
bonds (distance) P-C4' energy: -19.819
flat angles C4'-P-C4' energy: -20.768
flat angles P-C4'-P energy: -18.010
tors. eta vs tors. theta energy: -22.197
Dist. restrs. and SS energy: 1.460 (S_DIST_RNA)
chem. 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: -363.270611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.270611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.334928 (E_RNA)
where:
Base-Base interactions energy: -246.501
where: short stacking energy: -90.850
Base-Backbone interact. energy: -1.089
local terms energy: -115.744811
where:
bonds (distance) C4'-P energy: -23.289
bonds (distance) P-C4' energy: -26.333
flat angles C4'-P-C4' energy: -22.220
flat angles P-C4'-P energy: -14.957
tors. eta vs tors. theta energy: -28.946
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: 3
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -326.092639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.092639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.640360 (E_RNA)
where:
Base-Base interactions energy: -224.112
where: short stacking energy: -95.402
Base-Backbone interact. energy: 0.820
local terms energy: -103.347678
where:
bonds (distance) C4'-P energy: -20.810
bonds (distance) P-C4' energy: -22.906
flat angles C4'-P-C4' energy: -22.572
flat angles P-C4'-P energy: -16.157
tors. eta vs tors. theta energy: -20.902
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: 5, replica: 4
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -297.770654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.770654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.578572 (E_RNA)
where:
Base-Base interactions energy: -196.439
where: short stacking energy: -85.787
Base-Backbone interact. energy: -0.587
local terms energy: -101.552661
where:
bonds (distance) C4'-P energy: -20.028
bonds (distance) P-C4' energy: -19.824
flat angles C4'-P-C4' energy: -24.245
flat angles P-C4'-P energy: -20.084
tors. eta vs tors. theta energy: -17.372
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: 6, replica: 8
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -293.473637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.473637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.959638 (E_RNA)
where:
Base-Base interactions energy: -187.917
where: short stacking energy: -68.686
Base-Backbone interact. energy: -0.209
local terms energy: -106.833949
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -22.956
flat angles C4'-P-C4' energy: -25.205
flat angles P-C4'-P energy: -18.034
tors. eta vs tors. theta energy: -18.805
Dist. restrs. and SS energy: 1.486 (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: 6
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -256.955065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.955065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.041048 (E_RNA)
where:
Base-Base interactions energy: -170.279
where: short stacking energy: -84.031
Base-Backbone interact. energy: -0.382
local terms energy: -93.380301
where:
bonds (distance) C4'-P energy: -25.844
bonds (distance) P-C4' energy: -18.864
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -16.198
tors. eta vs tors. theta energy: -17.214
Dist. restrs. and SS energy: 7.086 (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: 344
Temperature: 1.250000
Total energy: -238.512893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.512893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.858324 (E_RNA)
where:
Base-Base interactions energy: -162.043
where: short stacking energy: -59.359
Base-Backbone interact. energy: -0.558
local terms energy: -80.256871
where:
bonds (distance) C4'-P energy: -18.007
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -15.002
Dist. restrs. and SS energy: 4.345 (S_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: 344
Temperature: 1.300000
Total energy: -230.144133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.144133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.525242 (E_RNA)
where:
Base-Base interactions energy: -151.171
where: short stacking energy: -62.163
Base-Backbone interact. energy: -1.359
local terms energy: -85.995323
where:
bonds (distance) C4'-P energy: -19.219
bonds (distance) P-C4' energy: -24.147
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -17.918
Dist. restrs. and SS energy: 8.381 (S_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: 344
Temperature: 1.350000
Total energy: -225.658323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.658323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.430215 (E_RNA)
where:
Base-Base interactions energy: -152.335
where: short stacking energy: -49.861
Base-Backbone interact. energy: -0.326
local terms energy: -78.769799
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -24.319
flat angles C4'-P-C4' energy: -22.098
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -6.398
Dist. restrs. and SS energy: 5.772 (S_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: 345
Temperature: 0.900000
Total energy: -375.017564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.017564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.104245 (E_RNA)
where:
Base-Base interactions energy: -255.813
where: short stacking energy: -101.226
Base-Backbone interact. energy: -4.040
local terms energy: -116.251599
where:
bonds (distance) C4'-P energy: -24.892
bonds (distance) P-C4' energy: -26.973
flat angles C4'-P-C4' energy: -19.462
flat angles P-C4'-P energy: -15.042
tors. eta vs tors. theta energy: -29.883
Dist. restrs. and SS energy: 1.087 (S_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: 345
Temperature: 0.950000
Total energy: -375.059993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.059993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.764536 (E_RNA)
where:
Base-Base interactions energy: -265.003
where: short stacking energy: -105.417
Base-Backbone interact. energy: 0.816
local terms energy: -111.577919
where:
bonds (distance) C4'-P energy: -19.389
bonds (distance) P-C4' energy: -21.144
flat angles C4'-P-C4' energy: -21.757
flat angles P-C4'-P energy: -17.933
tors. eta vs tors. theta energy: -31.355
Dist. restrs. and SS energy: 0.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -350.045760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.045760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.979273 (E_RNA)
where:
Base-Base interactions energy: -247.768
where: short stacking energy: -98.278
Base-Backbone interact. energy: -1.226
local terms energy: -101.986209
where:
bonds (distance) C4'-P energy: -22.334
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -20.224
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -28.265
Dist. restrs. and SS energy: 0.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -321.908551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.908551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.732697 (E_RNA)
where:
Base-Base interactions energy: -217.697
where: short stacking energy: -85.365
Base-Backbone interact. energy: -0.444
local terms energy: -107.591721
where:
bonds (distance) C4'-P energy: -22.323
bonds (distance) P-C4' energy: -18.764
flat angles C4'-P-C4' energy: -25.126
flat angles P-C4'-P energy: -19.226
tors. eta vs tors. theta energy: -22.153
Dist. restrs. and SS energy: 3.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -296.160288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.160288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.180393 (E_RNA)
where:
Base-Base interactions energy: -201.809
where: short stacking energy: -80.409
Base-Backbone interact. energy: -0.600
local terms energy: -93.772276
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -19.157
flat angles C4'-P-C4' energy: -23.017
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -20.476
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: 8
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -279.551435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.551435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.990277 (E_RNA)
where:
Base-Base interactions energy: -186.853
where: short stacking energy: -74.849
Base-Backbone interact. energy: -0.110
local terms energy: -93.027264
where:
bonds (distance) C4'-P energy: -18.219
bonds (distance) P-C4' energy: -17.035
flat angles C4'-P-C4' energy: -22.967
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -22.526
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: 7, replica: 6
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -245.550494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.550494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.148031 (E_RNA)
where:
Base-Base interactions energy: -160.401
where: short stacking energy: -62.907
Base-Backbone interact. energy: 1.025
local terms energy: -87.772021
where:
bonds (distance) C4'-P energy: -19.647
bonds (distance) P-C4' energy: -22.451
flat angles C4'-P-C4' energy: -24.552
flat angles P-C4'-P energy: -13.818
tors. eta vs tors. theta energy: -7.304
Dist. restrs. and SS energy: 1.598 (S_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: 345
Temperature: 1.250000
Total energy: -247.217094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.217094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.543682 (E_RNA)
where:
Base-Base interactions energy: -163.581
where: short stacking energy: -67.444
Base-Backbone interact. energy: -0.746
local terms energy: -86.217435
where:
bonds (distance) C4'-P energy: -20.889
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -18.933
flat angles P-C4'-P energy: -15.684
tors. eta vs tors. theta energy: -10.573
Dist. restrs. and SS energy: 3.327 (S_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: 345
Temperature: 1.300000
Total energy: -226.944187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.944187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.555373 (E_RNA)
where:
Base-Base interactions energy: -157.682
where: short stacking energy: -68.444
Base-Backbone interact. energy: 0.766
local terms energy: -72.639231
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -23.183
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -9.275
Dist. restrs. and SS energy: 2.611 (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: 10
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -241.430662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.430662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.851844 (E_RNA)
where:
Base-Base interactions energy: -171.926
where: short stacking energy: -70.143
Base-Backbone interact. energy: -0.880
local terms energy: -70.045772
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -20.347
flat angles C4'-P-C4' energy: -20.887
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -8.655
Dist. restrs. and SS energy: 1.421 (S_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: 346
Temperature: 0.900000
Total energy: -374.892048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.892048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.163047 (E_RNA)
where:
Base-Base interactions energy: -262.757
where: short stacking energy: -96.592
Base-Backbone interact. energy: -0.581
local terms energy: -112.825297
where:
bonds (distance) C4'-P energy: -19.202
bonds (distance) P-C4' energy: -25.746
flat angles C4'-P-C4' energy: -24.460
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: -26.760
Dist. restrs. and SS energy: 1.271 (S_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: 346
Temperature: 0.950000
Total energy: -365.070829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.070829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.186813 (E_RNA)
where:
Base-Base interactions energy: -253.252
where: short stacking energy: -104.590
Base-Backbone interact. energy: -1.311
local terms energy: -111.624358
where:
bonds (distance) C4'-P energy: -20.369
bonds (distance) P-C4' energy: -24.028
flat angles C4'-P-C4' energy: -22.865
flat angles P-C4'-P energy: -14.099
tors. eta vs tors. theta energy: -30.265
Dist. restrs. and SS energy: 1.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -323.768120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.768120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.386117 (E_RNA)
where:
Base-Base interactions energy: -227.501
where: short stacking energy: -91.425
Base-Backbone interact. energy: -1.371
local terms energy: -98.513915
where:
bonds (distance) C4'-P energy: -20.301
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -22.488
flat angles P-C4'-P energy: -16.146
tors. eta vs tors. theta energy: -22.790
Dist. restrs. and SS energy: 3.618 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -356.022388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.022388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.796307 (E_RNA)
where:
Base-Base interactions energy: -247.480
where: short stacking energy: -94.616
Base-Backbone interact. energy: -0.597
local terms energy: -108.718641
where:
bonds (distance) C4'-P energy: -20.327
bonds (distance) P-C4' energy: -21.354
flat angles C4'-P-C4' energy: -21.957
flat angles P-C4'-P energy: -16.886
tors. eta vs tors. theta energy: -28.195
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: 5, replica: 8
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -253.040097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.040097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.681841 (E_RNA)
where:
Base-Base interactions energy: -168.895
where: short stacking energy: -78.483
Base-Backbone interact. energy: -0.460
local terms energy: -91.326624
where:
bonds (distance) C4'-P energy: -20.397
bonds (distance) P-C4' energy: -21.008
flat angles C4'-P-C4' energy: -22.869
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -17.303
Dist. restrs. and SS energy: 7.642 (S_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: 346
Temperature: 1.150000
Total energy: -292.808211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.808211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.037223 (E_RNA)
where:
Base-Base interactions energy: -199.923
where: short stacking energy: -82.609
Base-Backbone interact. energy: -0.344
local terms energy: -95.769634
where:
bonds (distance) C4'-P energy: -19.097
bonds (distance) P-C4' energy: -20.258
flat angles C4'-P-C4' energy: -22.316
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -22.096
Dist. restrs. and SS energy: 3.229 (S_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: 346
Temperature: 1.200000
Total energy: -266.155671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.155671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.197020 (E_RNA)
where:
Base-Base interactions energy: -173.046
where: short stacking energy: -72.477
Base-Backbone interact. energy: -0.224
local terms energy: -97.927248
where:
bonds (distance) C4'-P energy: -25.086
bonds (distance) P-C4' energy: -21.995
flat angles C4'-P-C4' energy: -23.337
flat angles P-C4'-P energy: -14.481
tors. eta vs tors. theta energy: -13.029
Dist. restrs. and SS energy: 5.041 (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: 6
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -255.168892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.168892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.665093 (E_RNA)
where:
Base-Base interactions energy: -165.818
where: short stacking energy: -71.396
Base-Backbone interact. energy: -0.886
local terms energy: -89.960814
where:
bonds (distance) C4'-P energy: -20.037
bonds (distance) P-C4' energy: -22.315
flat angles C4'-P-C4' energy: -20.329
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -13.711
Dist. restrs. and SS energy: 1.496 (S_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: 346
Temperature: 1.300000
Total energy: -261.104746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.104746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.400561 (E_RNA)
where:
Base-Base interactions energy: -174.036
where: short stacking energy: -65.999
Base-Backbone interact. energy: 1.090
local terms energy: -89.454641
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -19.719
flat angles C4'-P-C4' energy: -24.155
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: -15.236
Dist. restrs. and SS energy: 1.296 (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: 5
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -217.765266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.765266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.641648 (E_RNA)
where:
Base-Base interactions energy: -148.233
where: short stacking energy: -60.784
Base-Backbone interact. energy: -0.315
local terms energy: -73.093541
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -19.322
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -10.333
Dist. restrs. and SS energy: 3.876 (S_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: 347
Temperature: 0.900000
Total energy: -371.998287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.998287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.986191 (E_RNA)
where:
Base-Base interactions energy: -265.066
where: short stacking energy: -100.310
Base-Backbone interact. energy: -2.051
local terms energy: -105.869484
where:
bonds (distance) C4'-P energy: -22.294
bonds (distance) P-C4' energy: -18.026
flat angles C4'-P-C4' energy: -24.736
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -29.613
Dist. restrs. and SS energy: 0.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -368.593783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.593783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.725640 (E_RNA)
where:
Base-Base interactions energy: -255.376
where: short stacking energy: -101.719
Base-Backbone interact. energy: -1.531
local terms energy: -112.818284
where:
bonds (distance) C4'-P energy: -21.084
bonds (distance) P-C4' energy: -19.320
flat angles C4'-P-C4' energy: -25.700
flat angles P-C4'-P energy: -17.030
tors. eta vs tors. theta energy: -29.685
Dist. restrs. and SS energy: 1.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -323.201844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.201844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.218479 (E_RNA)
where:
Base-Base interactions energy: -227.214
where: short stacking energy: -90.087
Base-Backbone interact. energy: 0.979
local terms energy: -98.983530
where:
bonds (distance) C4'-P energy: -21.033
bonds (distance) P-C4' energy: -24.320
flat angles C4'-P-C4' energy: -20.140
flat angles P-C4'-P energy: -13.227
tors. eta vs tors. theta energy: -20.263
Dist. restrs. and SS energy: 2.017 (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: 1
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -346.830118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.830118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.670112 (E_RNA)
where:
Base-Base interactions energy: -239.641
where: short stacking energy: -91.002
Base-Backbone interact. energy: 0.047
local terms energy: -109.075253
where:
bonds (distance) C4'-P energy: -21.142
bonds (distance) P-C4' energy: -21.421
flat angles C4'-P-C4' energy: -25.569
flat angles P-C4'-P energy: -13.007
tors. eta vs tors. theta energy: -27.937
Dist. restrs. and SS energy: 1.840 (S_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: 347
Temperature: 1.100000
Total energy: -291.713718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.713718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.784683 (E_RNA)
where:
Base-Base interactions energy: -201.025
where: short stacking energy: -80.626
Base-Backbone interact. energy: -0.187
local terms energy: -90.573040
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -19.490
flat angles C4'-P-C4' energy: -21.013
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -23.535
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: 6, replica: 4
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -314.853947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.853947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.480829 (E_RNA)
where:
Base-Base interactions energy: -214.334
where: short stacking energy: -94.822
Base-Backbone interact. energy: -0.397
local terms energy: -101.749544
where:
bonds (distance) C4'-P energy: -20.296
bonds (distance) P-C4' energy: -20.444
flat angles C4'-P-C4' energy: -20.649
flat angles P-C4'-P energy: -14.527
tors. eta vs tors. theta energy: -25.833
Dist. restrs. and SS energy: 1.627 (S_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: 347
Temperature: 1.200000
Total energy: -256.005902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.005902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.074784 (E_RNA)
where:
Base-Base interactions energy: -173.842
where: short stacking energy: -82.488
Base-Backbone interact. energy: -0.323
local terms energy: -88.909577
where:
bonds (distance) C4'-P energy: -23.696
bonds (distance) P-C4' energy: -20.497
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -18.431
Dist. restrs. and SS energy: 7.069 (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: 6
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -277.851845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.851845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.265125 (E_RNA)
where:
Base-Base interactions energy: -192.074
where: short stacking energy: -73.985
Base-Backbone interact. energy: -0.225
local terms energy: -85.965319
where:
bonds (distance) C4'-P energy: -24.827
bonds (distance) P-C4' energy: -19.297
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -16.979
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: 9, replica: 10
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -221.085594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.085594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.827690 (E_RNA)
where:
Base-Base interactions energy: -152.721
where: short stacking energy: -58.526
Base-Backbone interact. energy: -0.355
local terms energy: -78.751652
where:
bonds (distance) C4'-P energy: -23.308
bonds (distance) P-C4' energy: -18.111
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -8.445
Dist. restrs. and SS energy: 10.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -225.635199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.635199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.938401 (E_RNA)
where:
Base-Base interactions energy: -144.307
where: short stacking energy: -64.398
Base-Backbone interact. energy: -1.352
local terms energy: -87.279659
where:
bonds (distance) C4'-P energy: -22.893
bonds (distance) P-C4' energy: -18.986
flat angles C4'-P-C4' energy: -18.342
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -14.737
Dist. restrs. and SS energy: 7.303 (S_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: 348
Temperature: 0.900000
Total energy: -377.456966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.456966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.396263 (E_RNA)
where:
Base-Base interactions energy: -261.562
where: short stacking energy: -92.913
Base-Backbone interact. energy: -1.184
local terms energy: -115.649492
where:
bonds (distance) C4'-P energy: -23.557
bonds (distance) P-C4' energy: -25.293
flat angles C4'-P-C4' energy: -23.164
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -31.348
Dist. restrs. and SS energy: 0.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -357.055481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.055481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.620640 (E_RNA)
where:
Base-Base interactions energy: -247.726
where: short stacking energy: -101.370
Base-Backbone interact. energy: -1.786
local terms energy: -108.108859
where:
bonds (distance) C4'-P energy: -20.948
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -25.641
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -30.136
Dist. restrs. and SS energy: 0.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -354.622706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.622706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.233106 (E_RNA)
where:
Base-Base interactions energy: -247.421
where: short stacking energy: -91.324
Base-Backbone interact. energy: -1.129
local terms energy: -107.683266
where:
bonds (distance) C4'-P energy: -20.640
bonds (distance) P-C4' energy: -18.037
flat angles C4'-P-C4' energy: -24.773
flat angles P-C4'-P energy: -17.082
tors. eta vs tors. theta energy: -27.151
Dist. restrs. and SS energy: 1.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -321.072517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.072517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.967133 (E_RNA)
where:
Base-Base interactions energy: -227.453
where: short stacking energy: -89.347
Base-Backbone interact. energy: 0.359
local terms energy: -98.872635
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -21.849
flat angles P-C4'-P energy: -15.392
tors. eta vs tors. theta energy: -18.024
Dist. restrs. and SS energy: 4.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -310.119721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.119721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.682458 (E_RNA)
where:
Base-Base interactions energy: -223.568
where: short stacking energy: -90.195
Base-Backbone interact. energy: -0.577
local terms energy: -87.537363
where:
bonds (distance) C4'-P energy: -18.526
bonds (distance) P-C4' energy: -20.273
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -22.939
Dist. restrs. and SS energy: 1.563 (S_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: 348
Temperature: 1.150000
Total energy: -289.914433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.914433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.218704 (E_RNA)
where:
Base-Base interactions energy: -186.329
where: short stacking energy: -79.457
Base-Backbone interact. energy: -1.337
local terms energy: -102.552366
where:
bonds (distance) C4'-P energy: -22.396
bonds (distance) P-C4' energy: -23.970
flat angles C4'-P-C4' energy: -20.900
flat angles P-C4'-P energy: -14.901
tors. eta vs tors. theta energy: -20.384
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: 6
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -277.137794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.137794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.404382 (E_RNA)
where:
Base-Base interactions energy: -183.857
where: short stacking energy: -78.146
Base-Backbone interact. energy: -0.568
local terms energy: -92.979146
where:
bonds (distance) C4'-P energy: -17.002
bonds (distance) P-C4' energy: -22.082
flat angles C4'-P-C4' energy: -21.594
flat angles P-C4'-P energy: -15.193
tors. eta vs tors. theta energy: -17.108
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: 7
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -233.235090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.235090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.233351 (E_RNA)
where:
Base-Base interactions energy: -151.464
where: short stacking energy: -57.464
Base-Backbone interact. energy: -0.457
local terms energy: -83.311952
where:
bonds (distance) C4'-P energy: -20.746
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -21.768
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -9.234
Dist. restrs. and SS energy: 1.998 (S_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: 348
Temperature: 1.300000
Total energy: -231.891278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.891278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.754903 (E_RNA)
where:
Base-Base interactions energy: -161.870
where: short stacking energy: -70.894
Base-Backbone interact. energy: 3.705
local terms energy: -78.590007
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -21.164
flat angles P-C4'-P energy: -13.578
tors. eta vs tors. theta energy: -11.398
Dist. restrs. and SS energy: 4.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -215.539942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.539942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.951137 (E_RNA)
where:
Base-Base interactions energy: -130.789
where: short stacking energy: -65.519
Base-Backbone interact. energy: -0.269
local terms energy: -91.892827
where:
bonds (distance) C4'-P energy: -23.108
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -23.834
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -15.848
Dist. restrs. and SS energy: 7.411 (S_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: 349
Temperature: 0.900000
Total energy: -378.306560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.306560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.409131 (E_RNA)
where:
Base-Base interactions energy: -256.281
where: short stacking energy: -91.123
Base-Backbone interact. energy: -1.431
local terms energy: -121.697269
where:
bonds (distance) C4'-P energy: -24.234
bonds (distance) P-C4' energy: -26.741
flat angles C4'-P-C4' energy: -25.337
flat angles P-C4'-P energy: -17.287
tors. eta vs tors. theta energy: -28.097
Dist. restrs. and SS energy: 1.103 (S_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: 349
Temperature: 0.950000
Total energy: -360.520784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.520784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.844496 (E_RNA)
where:
Base-Base interactions energy: -246.650
where: short stacking energy: -96.305
Base-Backbone interact. energy: -0.644
local terms energy: -114.550725
where:
bonds (distance) C4'-P energy: -24.929
bonds (distance) P-C4' energy: -22.280
flat angles C4'-P-C4' energy: -21.757
flat angles P-C4'-P energy: -16.130
tors. eta vs tors. theta energy: -29.455
Dist. restrs. and SS energy: 1.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -361.048674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.048674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.355160 (E_RNA)
where:
Base-Base interactions energy: -246.103
where: short stacking energy: -99.115
Base-Backbone interact. energy: -1.212
local terms energy: -114.039774
where:
bonds (distance) C4'-P energy: -19.363
bonds (distance) P-C4' energy: -23.125
flat angles C4'-P-C4' energy: -24.776
flat angles P-C4'-P energy: -20.496
tors. eta vs tors. theta energy: -26.280
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: 4, replica: 3
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -304.883419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.883419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.596673 (E_RNA)
where:
Base-Base interactions energy: -207.594
where: short stacking energy: -81.394
Base-Backbone interact. energy: -0.048
local terms energy: -99.954837
where:
bonds (distance) C4'-P energy: -18.866
bonds (distance) P-C4' energy: -21.106
flat angles C4'-P-C4' energy: -20.938
flat angles P-C4'-P energy: -15.509
tors. eta vs tors. theta energy: -23.536
Dist. restrs. and SS energy: 2.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -297.169965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.169965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.461112 (E_RNA)
where:
Base-Base interactions energy: -204.988
where: short stacking energy: -84.303
Base-Backbone interact. energy: 0.481
local terms energy: -92.954206
where:
bonds (distance) C4'-P energy: -18.383
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -21.013
flat angles P-C4'-P energy: -16.521
tors. eta vs tors. theta energy: -17.076
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: 8
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -291.986551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.986551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.975472 (E_RNA)
where:
Base-Base interactions energy: -187.130
where: short stacking energy: -70.966
Base-Backbone interact. energy: -0.663
local terms energy: -105.182225
where:
bonds (distance) C4'-P energy: -20.867
bonds (distance) P-C4' energy: -21.427
flat angles C4'-P-C4' energy: -21.595
flat angles P-C4'-P energy: -16.287
tors. eta vs tors. theta energy: -25.007
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: 7, replica: 6
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -270.131898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.131898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.203047 (E_RNA)
where:
Base-Base interactions energy: -180.342
where: short stacking energy: -68.186
Base-Backbone interact. energy: -0.195
local terms energy: -89.666065
where:
bonds (distance) C4'-P energy: -22.451
bonds (distance) P-C4' energy: -19.968
flat angles C4'-P-C4' energy: -22.295
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -16.377
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: 8, replica: 10
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -269.427035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.427035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.961141 (E_RNA)
where:
Base-Base interactions energy: -171.250
where: short stacking energy: -70.958
Base-Backbone interact. energy: -0.548
local terms energy: -99.162769
where:
bonds (distance) C4'-P energy: -21.018
bonds (distance) P-C4' energy: -24.346
flat angles C4'-P-C4' energy: -19.477
flat angles P-C4'-P energy: -14.292
tors. eta vs tors. theta energy: -20.030
Dist. restrs. and SS energy: 1.534 (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: 7
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -230.961386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.961386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.615806 (E_RNA)
where:
Base-Base interactions energy: -152.186
where: short stacking energy: -62.948
Base-Backbone interact. energy: 1.001
local terms energy: -81.429868
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -20.755
flat angles C4'-P-C4' energy: -19.396
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -16.138
Dist. restrs. and SS energy: 1.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -211.459109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.459109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.696702 (E_RNA)
where:
Base-Base interactions energy: -132.899
where: short stacking energy: -60.853
Base-Backbone interact. energy: -1.175
local terms energy: -84.622903
where:
bonds (distance) C4'-P energy: -19.495
bonds (distance) P-C4' energy: -23.960
flat angles C4'-P-C4' energy: -18.817
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -9.411
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: 1, replica: 2
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -378.671200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.671200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.229645 (E_RNA)
where:
Base-Base interactions energy: -263.688
where: short stacking energy: -105.083
Base-Backbone interact. energy: -1.142
local terms energy: -115.400005
where:
bonds (distance) C4'-P energy: -23.644
bonds (distance) P-C4' energy: -25.247
flat angles C4'-P-C4' energy: -24.319
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -29.702
Dist. restrs. and SS energy: 1.558 (S_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: 350
Temperature: 0.950000
Total energy: -348.339230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.339230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.695425 (E_RNA)
where:
Base-Base interactions energy: -241.208
where: short stacking energy: -94.572
Base-Backbone interact. energy: -1.114
local terms energy: -107.373317
where:
bonds (distance) C4'-P energy: -21.797
bonds (distance) P-C4' energy: -22.792
flat angles C4'-P-C4' energy: -19.637
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -28.337
Dist. restrs. and SS energy: 1.356 (S_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: 350
Temperature: 1.000000
Total energy: -367.445002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.445002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.904244 (E_RNA)
where:
Base-Base interactions energy: -251.324
where: short stacking energy: -101.589
Base-Backbone interact. energy: -0.823
local terms energy: -115.757692
where:
bonds (distance) C4'-P energy: -23.043
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -26.358
flat angles P-C4'-P energy: -17.840
tors. eta vs tors. theta energy: -25.693
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: 4, replica: 3
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -289.793352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.793352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.812183 (E_RNA)
where:
Base-Base interactions energy: -197.959
where: short stacking energy: -70.542
Base-Backbone interact. energy: -1.056
local terms energy: -92.797613
where:
bonds (distance) C4'-P energy: -21.965
bonds (distance) P-C4' energy: -22.923
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: -15.180
Dist. restrs. and SS energy: 2.019 (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: 350
Temperature: 1.100000
Total energy: -297.835595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.835595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.881647 (E_RNA)
where:
Base-Base interactions energy: -197.315
where: short stacking energy: -88.701
Base-Backbone interact. energy: -0.500
local terms energy: -101.066408
where:
bonds (distance) C4'-P energy: -23.689
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -22.961
flat angles P-C4'-P energy: -15.859
tors. eta vs tors. theta energy: -19.452
Dist. restrs. and SS energy: 1.046 (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: 8
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -293.607488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.607488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.076550 (E_RNA)
where:
Base-Base interactions energy: -202.774
where: short stacking energy: -93.185
Base-Backbone interact. energy: -1.394
local terms energy: -90.908369
where:
bonds (distance) C4'-P energy: -20.575
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -18.120
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -25.323
Dist. restrs. and SS energy: 1.469 (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: 350
Temperature: 1.200000
Total energy: -271.798887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.798887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.452437 (E_RNA)
where:
Base-Base interactions energy: -182.314
where: short stacking energy: -70.804
Base-Backbone interact. energy: -1.897
local terms energy: -88.241078
where:
bonds (distance) C4'-P energy: -20.322
bonds (distance) P-C4' energy: -23.045
flat angles C4'-P-C4' energy: -19.611
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -11.407
Dist. restrs. and SS energy: 0.654 (S_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: 350
Temperature: 1.250000
Total energy: -261.326810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.326810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.813623 (E_RNA)
where:
Base-Base interactions energy: -180.481
where: short stacking energy: -77.467
Base-Backbone interact. energy: -0.460
local terms energy: -81.872418
where:
bonds (distance) C4'-P energy: -20.680
bonds (distance) P-C4' energy: -19.857
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -12.910
Dist. restrs. and SS energy: 1.487 (S_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: 350
Temperature: 1.300000
Total energy: -251.840874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.840874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.131410 (E_RNA)
where:
Base-Base interactions energy: -173.230
where: short stacking energy: -72.965
Base-Backbone interact. energy: -0.932
local terms energy: -77.968646
where:
bonds (distance) C4'-P energy: -15.637
bonds (distance) P-C4' energy: -15.823
flat angles C4'-P-C4' energy: -19.775
flat angles P-C4'-P energy: -17.165
tors. eta vs tors. theta energy: -9.569
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: 10, replica: 7
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -241.591013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.591013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.708214 (E_RNA)
where:
Base-Base interactions energy: -162.053
where: short stacking energy: -53.237
Base-Backbone interact. energy: -0.470
local terms energy: -81.184595
where:
bonds (distance) C4'-P energy: -24.176
bonds (distance) P-C4' energy: -16.208
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -10.093
Dist. restrs. and SS energy: 2.117 (S_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: 351
Temperature: 0.900000
Total energy: -381.756483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.756483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.453810 (E_RNA)
where:
Base-Base interactions energy: -265.481
where: short stacking energy: -102.257
Base-Backbone interact. energy: -1.448
local terms energy: -115.525018
where:
bonds (distance) C4'-P energy: -23.902
bonds (distance) P-C4' energy: -23.010
flat angles C4'-P-C4' energy: -21.130
flat angles P-C4'-P energy: -18.440
tors. eta vs tors. theta energy: -29.043
Dist. restrs. and SS energy: 0.697 (S_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: 351
Temperature: 0.950000
Total energy: -358.584450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.584450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.497721 (E_RNA)
where:
Base-Base interactions energy: -242.935
where: short stacking energy: -98.255
Base-Backbone interact. energy: -0.571
local terms energy: -115.992144
where:
bonds (distance) C4'-P energy: -24.417
bonds (distance) P-C4' energy: -23.958
flat angles C4'-P-C4' energy: -25.102
flat angles P-C4'-P energy: -15.499
tors. eta vs tors. theta energy: -27.016
Dist. restrs. and SS energy: 0.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -361.349697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.349697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.921741 (E_RNA)
where:
Base-Base interactions energy: -251.742
where: short stacking energy: -102.288
Base-Backbone interact. energy: 0.774
local terms energy: -110.954094
where:
bonds (distance) C4'-P energy: -20.711
bonds (distance) P-C4' energy: -20.574
flat angles C4'-P-C4' energy: -23.697
flat angles P-C4'-P energy: -17.516
tors. eta vs tors. theta energy: -28.457
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: 4, replica: 4
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -327.811650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.811650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.391256 (E_RNA)
where:
Base-Base interactions energy: -226.867
where: short stacking energy: -100.245
Base-Backbone interact. energy: -0.742
local terms energy: -100.782720
where:
bonds (distance) C4'-P energy: -18.923
bonds (distance) P-C4' energy: -19.966
flat angles C4'-P-C4' energy: -21.447
flat angles P-C4'-P energy: -14.610
tors. eta vs tors. theta energy: -25.837
Dist. restrs. and SS energy: 0.580 (S_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: 351
Temperature: 1.100000
Total energy: -275.334079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.334079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.980712 (E_RNA)
where:
Base-Base interactions energy: -183.474
where: short stacking energy: -62.459
Base-Backbone interact. energy: -0.250
local terms energy: -93.256332
where:
bonds (distance) C4'-P energy: -21.063
bonds (distance) P-C4' energy: -20.797
flat angles C4'-P-C4' energy: -19.978
flat angles P-C4'-P energy: -13.289
tors. eta vs tors. theta energy: -18.130
Dist. restrs. and SS energy: 1.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -307.604466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.604466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.696608 (E_RNA)
where:
Base-Base interactions energy: -199.703
where: short stacking energy: -84.742
Base-Backbone interact. energy: -1.416
local terms energy: -106.577865
where:
bonds (distance) C4'-P energy: -17.624
bonds (distance) P-C4' energy: -23.341
flat angles C4'-P-C4' energy: -25.615
flat angles P-C4'-P energy: -14.579
tors. eta vs tors. theta energy: -25.419
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: 7, replica: 8
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -267.550779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.550779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.870482 (E_RNA)
where:
Base-Base interactions energy: -178.989
where: short stacking energy: -63.547
Base-Backbone interact. energy: -0.011
local terms energy: -90.870427
where:
bonds (distance) C4'-P energy: -24.775
bonds (distance) P-C4' energy: -21.105
flat angles C4'-P-C4' energy: -22.839
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -12.399
Dist. restrs. and SS energy: 2.320 (S_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: 351
Temperature: 1.250000
Total energy: -255.192509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.192509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.618567 (E_RNA)
where:
Base-Base interactions energy: -180.621
where: short stacking energy: -77.891
Base-Backbone interact. energy: -0.243
local terms energy: -76.754406
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -13.859
Dist. restrs. and SS energy: 2.426 (S_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: 351
Temperature: 1.300000
Total energy: -236.694353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.694353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.523398 (E_RNA)
where:
Base-Base interactions energy: -158.697
where: short stacking energy: -60.851
Base-Backbone interact. energy: -0.398
local terms energy: -82.427894
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -25.767
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -11.951
Dist. restrs. and SS energy: 4.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -232.224382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.224382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.331485 (E_RNA)
where:
Base-Base interactions energy: -173.175
where: short stacking energy: -69.481
Base-Backbone interact. energy: 0.941
local terms energy: -62.097547
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -17.529
flat angles C4'-P-C4' energy: -8.071
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -12.420
Dist. restrs. and SS energy: 2.107 (S_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: 352
Temperature: 0.900000
Total energy: -369.464495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.464495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.486030 (E_RNA)
where:
Base-Base interactions energy: -261.425
where: short stacking energy: -107.199
Base-Backbone interact. energy: -0.708
local terms energy: -108.353189
where:
bonds (distance) C4'-P energy: -23.124
bonds (distance) P-C4' energy: -22.991
flat angles C4'-P-C4' energy: -20.985
flat angles P-C4'-P energy: -14.481
tors. eta vs tors. theta energy: -26.773
Dist. restrs. and SS energy: 1.022 (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: 2
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -362.183389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.183389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.870609 (E_RNA)
where:
Base-Base interactions energy: -255.956
where: short stacking energy: -99.351
Base-Backbone interact. energy: -0.840
local terms energy: -107.074598
where:
bonds (distance) C4'-P energy: -19.267
bonds (distance) P-C4' energy: -20.998
flat angles C4'-P-C4' energy: -21.138
flat angles P-C4'-P energy: -16.741
tors. eta vs tors. theta energy: -28.931
Dist. restrs. and SS energy: 1.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -346.219070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.219070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.338444 (E_RNA)
where:
Base-Base interactions energy: -241.928
where: short stacking energy: -94.549
Base-Backbone interact. energy: -0.449
local terms energy: -104.961588
where:
bonds (distance) C4'-P energy: -22.371
bonds (distance) P-C4' energy: -20.584
flat angles C4'-P-C4' energy: -21.954
flat angles P-C4'-P energy: -16.847
tors. eta vs tors. theta energy: -23.205
Dist. restrs. and SS energy: 1.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -316.331645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.331645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.358048 (E_RNA)
where:
Base-Base interactions energy: -217.207
where: short stacking energy: -83.209
Base-Backbone interact. energy: -0.563
local terms energy: -99.588078
where:
bonds (distance) C4'-P energy: -20.433
bonds (distance) P-C4' energy: -20.226
flat angles C4'-P-C4' energy: -25.680
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -22.017
Dist. restrs. and SS energy: 1.026 (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: 6
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -293.185656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.185656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.835012 (E_RNA)
where:
Base-Base interactions energy: -197.011
where: short stacking energy: -82.890
Base-Backbone interact. energy: -1.177
local terms energy: -96.647822
where:
bonds (distance) C4'-P energy: -18.074
bonds (distance) P-C4' energy: -24.947
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -16.517
tors. eta vs tors. theta energy: -19.336
Dist. restrs. and SS energy: 1.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -270.774017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.774017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.333582 (E_RNA)
where:
Base-Base interactions energy: -173.753
where: short stacking energy: -72.781
Base-Backbone interact. energy: -0.064
local terms energy: -100.516869
where:
bonds (distance) C4'-P energy: -16.809
bonds (distance) P-C4' energy: -21.161
flat angles C4'-P-C4' energy: -18.487
flat angles P-C4'-P energy: -19.341
tors. eta vs tors. theta energy: -24.719
Dist. restrs. and SS energy: 3.560 (S_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: 352
Temperature: 1.200000
Total energy: -290.174591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.174591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.027458 (E_RNA)
where:
Base-Base interactions energy: -212.781
where: short stacking energy: -84.246
Base-Backbone interact. energy: -0.464
local terms energy: -78.781889
where:
bonds (distance) C4'-P energy: -17.286
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -19.915
Dist. restrs. and SS energy: 1.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -249.409371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.409371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.019593 (E_RNA)
where:
Base-Base interactions energy: -155.074
where: short stacking energy: -86.372
Base-Backbone interact. energy: 0.045
local terms energy: -97.990488
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -25.816
flat angles C4'-P-C4' energy: -25.823
flat angles P-C4'-P energy: -14.544
tors. eta vs tors. theta energy: -18.955
Dist. restrs. and SS energy: 3.610 (S_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: 352
Temperature: 1.300000
Total energy: -230.114653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.114653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.594121 (E_RNA)
where:
Base-Base interactions energy: -153.016
where: short stacking energy: -68.338
Base-Backbone interact. energy: -0.553
local terms energy: -79.025670
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -23.545
flat angles P-C4'-P energy: -17.664
tors. eta vs tors. theta energy: -10.341
Dist. restrs. and SS energy: 2.479 (S_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: 352
Temperature: 1.350000
Total energy: -231.667902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.667902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.056121 (E_RNA)
where:
Base-Base interactions energy: -151.210
where: short stacking energy: -60.510
Base-Backbone interact. energy: -0.359
local terms energy: -86.486723
where:
bonds (distance) C4'-P energy: -22.359
bonds (distance) P-C4' energy: -24.911
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -10.166
Dist. restrs. and SS energy: 6.388 (S_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: 353
Temperature: 0.900000
Total energy: -375.139337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.139337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.039329 (E_RNA)
where:
Base-Base interactions energy: -259.918
where: short stacking energy: -109.249
Base-Backbone interact. energy: -2.695
local terms energy: -113.425809
where:
bonds (distance) C4'-P energy: -20.580
bonds (distance) P-C4' energy: -25.032
flat angles C4'-P-C4' energy: -22.623
flat angles P-C4'-P energy: -14.151
tors. eta vs tors. theta energy: -31.040
Dist. restrs. and SS energy: 0.900 (S_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: 353
Temperature: 0.950000
Total energy: -355.736448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.736448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.576320 (E_RNA)
where:
Base-Base interactions energy: -248.908
where: short stacking energy: -92.600
Base-Backbone interact. energy: -1.371
local terms energy: -107.297129
where:
bonds (distance) C4'-P energy: -25.649
bonds (distance) P-C4' energy: -21.550
flat angles C4'-P-C4' energy: -22.051
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -28.703
Dist. restrs. and SS energy: 1.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -346.912538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.912538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.211240 (E_RNA)
where:
Base-Base interactions energy: -247.182
where: short stacking energy: -97.556
Base-Backbone interact. energy: 0.346
local terms energy: -101.375970
where:
bonds (distance) C4'-P energy: -21.638
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -22.859
flat angles P-C4'-P energy: -16.291
tors. eta vs tors. theta energy: -25.138
Dist. restrs. and SS energy: 1.299 (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: 4
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -316.372811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.372811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.970062 (E_RNA)
where:
Base-Base interactions energy: -222.692
where: short stacking energy: -92.428
Base-Backbone interact. energy: 0.375
local terms energy: -95.653588
where:
bonds (distance) C4'-P energy: -22.253
bonds (distance) P-C4' energy: -19.115
flat angles C4'-P-C4' energy: -23.436
flat angles P-C4'-P energy: -6.221
tors. eta vs tors. theta energy: -24.629
Dist. restrs. and SS energy: 1.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -271.526005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.526005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.763421 (E_RNA)
where:
Base-Base interactions energy: -171.810
where: short stacking energy: -72.122
Base-Backbone interact. energy: -1.278
local terms energy: -100.675894
where:
bonds (distance) C4'-P energy: -22.611
bonds (distance) P-C4' energy: -21.601
flat angles C4'-P-C4' energy: -23.104
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -21.862
Dist. restrs. and SS energy: 2.237 (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: 8
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -308.841997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.841997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.125796 (E_RNA)
where:
Base-Base interactions energy: -216.181
where: short stacking energy: -90.935
Base-Backbone interact. energy: -1.033
local terms energy: -91.911404
where:
bonds (distance) C4'-P energy: -20.834
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -19.840
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -24.407
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: 7, replica: 3
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -265.322274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.322274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.404643 (E_RNA)
where:
Base-Base interactions energy: -173.406
where: short stacking energy: -67.037
Base-Backbone interact. energy: -0.482
local terms energy: -91.516485
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -23.677
flat angles C4'-P-C4' energy: -19.168
flat angles P-C4'-P energy: -18.226
tors. eta vs tors. theta energy: -14.437
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: 7
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -237.774466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.774466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.085870 (E_RNA)
where:
Base-Base interactions energy: -155.057
where: short stacking energy: -67.933
Base-Backbone interact. energy: 1.679
local terms energy: -90.708494
where:
bonds (distance) C4'-P energy: -23.862
bonds (distance) P-C4' energy: -16.481
flat angles C4'-P-C4' energy: -23.058
flat angles P-C4'-P energy: -16.474
tors. eta vs tors. theta energy: -10.834
Dist. restrs. and SS energy: 6.311 (S_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: 353
Temperature: 1.300000
Total energy: -259.784097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.784097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.025628 (E_RNA)
where:
Base-Base interactions energy: -173.325
where: short stacking energy: -71.228
Base-Backbone interact. energy: -0.602
local terms energy: -86.098831
where:
bonds (distance) C4'-P energy: -19.667
bonds (distance) P-C4' energy: -18.187
flat angles C4'-P-C4' energy: -20.378
flat angles P-C4'-P energy: -16.678
tors. eta vs tors. theta energy: -11.188
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: 10, replica: 10
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -232.989338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.989338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.047424 (E_RNA)
where:
Base-Base interactions energy: -163.502
where: short stacking energy: -55.649
Base-Backbone interact. energy: -0.685
local terms energy: -69.861077
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -21.077
flat angles C4'-P-C4' energy: -21.161
flat angles P-C4'-P energy: -4.719
tors. eta vs tors. theta energy: -9.362
Dist. restrs. and SS energy: 1.058 (S_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: 354
Temperature: 0.900000
Total energy: -367.699680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.699680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.128273 (E_RNA)
where:
Base-Base interactions energy: -260.698
where: short stacking energy: -98.015
Base-Backbone interact. energy: -0.368
local terms energy: -108.063128
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -23.387
flat angles C4'-P-C4' energy: -20.224
flat angles P-C4'-P energy: -17.406
tors. eta vs tors. theta energy: -28.636
Dist. restrs. and SS energy: 1.429 (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: 9
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -362.699663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.699663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.120928 (E_RNA)
where:
Base-Base interactions energy: -251.938
where: short stacking energy: -87.978
Base-Backbone interact. energy: -1.301
local terms energy: -109.881617
where:
bonds (distance) C4'-P energy: -18.225
bonds (distance) P-C4' energy: -22.763
flat angles C4'-P-C4' energy: -23.461
flat angles P-C4'-P energy: -18.108
tors. eta vs tors. theta energy: -27.325
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: 3, replica: 2
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -340.622201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.622201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.414502 (E_RNA)
where:
Base-Base interactions energy: -237.862
where: short stacking energy: -81.968
Base-Backbone interact. energy: -0.718
local terms energy: -102.834648
where:
bonds (distance) C4'-P energy: -21.239
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -25.503
flat angles P-C4'-P energy: -15.317
tors. eta vs tors. theta energy: -21.196
Dist. restrs. and SS energy: 0.792 (S_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: -321.573037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.573037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.063135 (E_RNA)
where:
Base-Base interactions energy: -218.545
where: short stacking energy: -86.134
Base-Backbone interact. energy: -0.913
local terms energy: -103.605064
where:
bonds (distance) C4'-P energy: -20.169
bonds (distance) P-C4' energy: -22.866
flat angles C4'-P-C4' energy: -19.521
flat angles P-C4'-P energy: -19.634
tors. eta vs tors. theta energy: -21.416
Dist. restrs. and SS energy: 1.490 (S_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: 354
Temperature: 1.100000
Total energy: -295.897891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.897891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.584769 (E_RNA)
where:
Base-Base interactions energy: -204.563
where: short stacking energy: -87.032
Base-Backbone interact. energy: 0.027
local terms energy: -92.048350
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -22.905
flat angles C4'-P-C4' energy: -18.838
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -24.109
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: 6, replica: 6
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -272.600384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.600384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.804866 (E_RNA)
where:
Base-Base interactions energy: -180.933
where: short stacking energy: -69.577
Base-Backbone interact. energy: 0.366
local terms energy: -96.238277
where:
bonds (distance) C4'-P energy: -15.508
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -24.176
flat angles P-C4'-P energy: -16.586
tors. eta vs tors. theta energy: -21.768
Dist. restrs. and SS energy: 4.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -236.223986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.223986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.077721 (E_RNA)
where:
Base-Base interactions energy: -150.489
where: short stacking energy: -64.999
Base-Backbone interact. energy: -0.249
local terms energy: -95.339326
where:
bonds (distance) C4'-P energy: -23.651
bonds (distance) P-C4' energy: -20.926
flat angles C4'-P-C4' energy: -21.617
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -17.614
Dist. restrs. and SS energy: 9.854 (S_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: -244.064307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.064307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.254848 (E_RNA)
where:
Base-Base interactions energy: -158.803
where: short stacking energy: -60.111
Base-Backbone interact. energy: -0.617
local terms energy: -87.834116
where:
bonds (distance) C4'-P energy: -22.391
bonds (distance) P-C4' energy: -21.202
flat angles C4'-P-C4' energy: -21.631
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -9.864
Dist. restrs. and SS energy: 3.191 (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: 10
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -229.950982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.950982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.227360 (E_RNA)
where:
Base-Base interactions energy: -159.776
where: short stacking energy: -62.413
Base-Backbone interact. energy: 0.485
local terms energy: -72.935831
where:
bonds (distance) C4'-P energy: -19.038
bonds (distance) P-C4' energy: -14.484
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -15.863
tors. eta vs tors. theta energy: -6.853
Dist. restrs. and SS energy: 2.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -202.819621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.819621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.862215 (E_RNA)
where:
Base-Base interactions energy: -124.538
where: short stacking energy: -50.233
Base-Backbone interact. energy: -0.273
local terms energy: -80.051353
where:
bonds (distance) C4'-P energy: -19.503
bonds (distance) P-C4' energy: -21.097
flat angles C4'-P-C4' energy: -22.800
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -6.414
Dist. restrs. and SS energy: 2.043 (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: 1
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -358.147460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.147460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.246265 (E_RNA)
where:
Base-Base interactions energy: -250.306
where: short stacking energy: -93.754
Base-Backbone interact. energy: 1.586
local terms energy: -110.526147
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -25.550
flat angles C4'-P-C4' energy: -22.280
flat angles P-C4'-P energy: -20.141
tors. eta vs tors. theta energy: -27.387
Dist. restrs. and SS energy: 1.099 (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: 9
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -366.723815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.723815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.597841 (E_RNA)
where:
Base-Base interactions energy: -255.014
where: short stacking energy: -106.385
Base-Backbone interact. energy: -1.810
local terms energy: -110.774042
where:
bonds (distance) C4'-P energy: -22.177
bonds (distance) P-C4' energy: -23.135
flat angles C4'-P-C4' energy: -21.039
flat angles P-C4'-P energy: -15.168
tors. eta vs tors. theta energy: -29.254
Dist. restrs. and SS energy: 0.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -358.214453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.214453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.489955 (E_RNA)
where:
Base-Base interactions energy: -250.623
where: short stacking energy: -96.672
Base-Backbone interact. energy: -0.360
local terms energy: -108.507399
where:
bonds (distance) C4'-P energy: -24.758
bonds (distance) P-C4' energy: -22.247
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -16.594
tors. eta vs tors. theta energy: -27.816
Dist. restrs. and SS energy: 1.276 (S_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: 355
Temperature: 1.050000
Total energy: -324.345620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.345620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.485784 (E_RNA)
where:
Base-Base interactions energy: -215.362
where: short stacking energy: -89.374
Base-Backbone interact. energy: 0.443
local terms energy: -110.566533
where:
bonds (distance) C4'-P energy: -25.493
bonds (distance) P-C4' energy: -23.827
flat angles C4'-P-C4' energy: -23.056
flat angles P-C4'-P energy: -14.610
tors. eta vs tors. theta energy: -23.580
Dist. restrs. and SS energy: 1.140 (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: 355
Temperature: 1.100000
Total energy: -289.914781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.914781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.738254 (E_RNA)
where:
Base-Base interactions energy: -183.123
where: short stacking energy: -80.096
Base-Backbone interact. energy: -0.963
local terms energy: -107.652128
where:
bonds (distance) C4'-P energy: -25.638
bonds (distance) P-C4' energy: -20.454
flat angles C4'-P-C4' energy: -20.804
flat angles P-C4'-P energy: -17.552
tors. eta vs tors. theta energy: -23.204
Dist. restrs. and SS energy: 1.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -275.000664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.000664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.367787 (E_RNA)
where:
Base-Base interactions energy: -202.439
where: short stacking energy: -73.973
Base-Backbone interact. energy: -0.327
local terms energy: -75.601744
where:
bonds (distance) C4'-P energy: -6.993
bonds (distance) P-C4' energy: -19.224
flat angles C4'-P-C4' energy: -20.709
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -18.643
Dist. restrs. and SS energy: 3.367 (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: 3
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -255.237312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.237312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.237052 (E_RNA)
where:
Base-Base interactions energy: -170.106
where: short stacking energy: -71.444
Base-Backbone interact. energy: 2.437
local terms energy: -92.567938
where:
bonds (distance) C4'-P energy: -23.564
bonds (distance) P-C4' energy: -26.368
flat angles C4'-P-C4' energy: -21.613
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -11.860
Dist. restrs. and SS energy: 5.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -256.727092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.727092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.946708 (E_RNA)
where:
Base-Base interactions energy: -162.989
where: short stacking energy: -60.282
Base-Backbone interact. energy: -0.358
local terms energy: -94.599546
where:
bonds (distance) C4'-P energy: -20.044
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -24.198
flat angles P-C4'-P energy: -16.388
tors. eta vs tors. theta energy: -18.437
Dist. restrs. and SS energy: 1.220 (S_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: 355
Temperature: 1.300000
Total energy: -252.348760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.348760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.546267 (E_RNA)
where:
Base-Base interactions energy: -182.113
where: short stacking energy: -72.170
Base-Backbone interact. energy: -0.885
local terms energy: -71.548720
where:
bonds (distance) C4'-P energy: -16.357
bonds (distance) P-C4' energy: -12.382
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -15.399
Dist. restrs. and SS energy: 2.198 (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: 5
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -210.647360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.647360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.719855 (E_RNA)
where:
Base-Base interactions energy: -149.460
where: short stacking energy: -62.018
Base-Backbone interact. energy: -0.623
local terms energy: -63.637239
where:
bonds (distance) C4'-P energy: -22.521
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: -6.176
Dist. restrs. and SS energy: 3.072 (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: 9
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -368.018230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.018230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.204922 (E_RNA)
where:
Base-Base interactions energy: -252.242
where: short stacking energy: -99.539
Base-Backbone interact. energy: 1.345
local terms energy: -118.308248
where:
bonds (distance) C4'-P energy: -23.196
bonds (distance) P-C4' energy: -24.208
flat angles C4'-P-C4' energy: -25.791
flat angles P-C4'-P energy: -18.030
tors. eta vs tors. theta energy: -27.083
Dist. restrs. and SS energy: 1.187 (S_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: 356
Temperature: 0.950000
Total energy: -357.097647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.097647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.246451 (E_RNA)
where:
Base-Base interactions energy: -244.977
where: short stacking energy: -94.248
Base-Backbone interact. energy: -2.185
local terms energy: -111.085117
where:
bonds (distance) C4'-P energy: -22.035
bonds (distance) P-C4' energy: -20.445
flat angles C4'-P-C4' energy: -22.422
flat angles P-C4'-P energy: -17.146
tors. eta vs tors. theta energy: -29.039
Dist. restrs. and SS energy: 1.149 (S_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: -328.538100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.538100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.219017 (E_RNA)
where:
Base-Base interactions energy: -219.513
where: short stacking energy: -88.001
Base-Backbone interact. energy: -0.661
local terms energy: -110.045036
where:
bonds (distance) C4'-P energy: -23.713
bonds (distance) P-C4' energy: -23.547
flat angles C4'-P-C4' energy: -21.546
flat angles P-C4'-P energy: -19.801
tors. eta vs tors. theta energy: -21.438
Dist. restrs. and SS energy: 1.681 (S_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: 356
Temperature: 1.050000
Total energy: -336.551939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.551939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.009457 (E_RNA)
where:
Base-Base interactions energy: -233.688
where: short stacking energy: -97.447
Base-Backbone interact. energy: -0.540
local terms energy: -102.781806
where:
bonds (distance) C4'-P energy: -23.718
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -24.020
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -26.017
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: 5, replica: 6
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -270.368658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.368658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.122892 (E_RNA)
where:
Base-Base interactions energy: -176.621
where: short stacking energy: -75.931
Base-Backbone interact. energy: -1.051
local terms energy: -94.450157
where:
bonds (distance) C4'-P energy: -23.708
bonds (distance) P-C4' energy: -23.387
flat angles C4'-P-C4' energy: -20.248
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -16.775
Dist. restrs. and SS energy: 1.754 (S_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: -260.868242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.868242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.334445 (E_RNA)
where:
Base-Base interactions energy: -177.561
where: short stacking energy: -71.773
Base-Backbone interact. energy: 0.406
local terms energy: -85.179477
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -20.776
flat angles C4'-P-C4' energy: -23.194
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -13.547
Dist. restrs. and SS energy: 1.466 (S_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: 356
Temperature: 1.200000
Total energy: -239.724045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.724045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.608852 (E_RNA)
where:
Base-Base interactions energy: -160.943
where: short stacking energy: -58.747
Base-Backbone interact. energy: -2.051
local terms energy: -79.614480
where:
bonds (distance) C4'-P energy: -20.873
bonds (distance) P-C4' energy: -23.108
flat angles C4'-P-C4' energy: -21.044
flat angles P-C4'-P energy: -5.030
tors. eta vs tors. theta energy: -9.559
Dist. restrs. and SS energy: 2.885 (S_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: 356
Temperature: 1.250000
Total energy: -241.071370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.071370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.940832 (E_RNA)
where:
Base-Base interactions energy: -155.287
where: short stacking energy: -67.887
Base-Backbone interact. energy: -0.801
local terms energy: -90.853368
where:
bonds (distance) C4'-P energy: -24.118
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -23.603
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -18.426
Dist. restrs. and SS energy: 5.869 (S_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: 356
Temperature: 1.300000
Total energy: -230.040923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.040923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.297819 (E_RNA)
where:
Base-Base interactions energy: -163.273
where: short stacking energy: -62.073
Base-Backbone interact. energy: -0.227
local terms energy: -68.797603
where:
bonds (distance) C4'-P energy: -13.753
bonds (distance) P-C4' energy: -19.684
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -15.085
tors. eta vs tors. theta energy: -6.076
Dist. restrs. and SS energy: 2.257 (S_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: 356
Temperature: 1.350000
Total energy: -241.219073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.219073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.214739 (E_RNA)
where:
Base-Base interactions energy: -159.261
where: short stacking energy: -66.256
Base-Backbone interact. energy: -0.207
local terms energy: -88.747144
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -20.825
flat angles C4'-P-C4' energy: -20.816
flat angles P-C4'-P energy: -13.734
tors. eta vs tors. theta energy: -16.081
Dist. restrs. and SS energy: 6.996 (S_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: 357
Temperature: 0.900000
Total energy: -367.958506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.958506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.288950 (E_RNA)
where:
Base-Base interactions energy: -261.512
where: short stacking energy: -101.954
Base-Backbone interact. energy: 0.856
local terms energy: -108.632969
where:
bonds (distance) C4'-P energy: -20.654
bonds (distance) P-C4' energy: -26.136
flat angles C4'-P-C4' energy: -21.997
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -26.009
Dist. restrs. and SS energy: 1.330 (S_DIST_RNA)
chem. 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: -325.768700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.768700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.260411 (E_RNA)
where:
Base-Base interactions energy: -218.841
where: short stacking energy: -89.049
Base-Backbone interact. energy: -0.204
local terms energy: -107.216077
where:
bonds (distance) C4'-P energy: -18.103
bonds (distance) P-C4' energy: -25.854
flat angles C4'-P-C4' energy: -19.519
flat angles P-C4'-P energy: -20.008
tors. eta vs tors. theta energy: -23.733
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: 1
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -354.379294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.379294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.768949 (E_RNA)
where:
Base-Base interactions energy: -244.985
where: short stacking energy: -96.089
Base-Backbone interact. energy: -1.999
local terms energy: -108.784830
where:
bonds (distance) C4'-P energy: -20.103
bonds (distance) P-C4' energy: -22.552
flat angles C4'-P-C4' energy: -18.633
flat angles P-C4'-P energy: -16.277
tors. eta vs tors. theta energy: -31.220
Dist. restrs. and SS energy: 1.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -317.373401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.373401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.289911 (E_RNA)
where:
Base-Base interactions energy: -219.210
where: short stacking energy: -92.672
Base-Backbone interact. energy: -0.533
local terms energy: -99.546966
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -23.686
flat angles C4'-P-C4' energy: -24.960
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -25.645
Dist. restrs. and SS energy: 1.917 (S_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: 357
Temperature: 1.100000
Total energy: -342.533075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.533075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.569636 (E_RNA)
where:
Base-Base interactions energy: -232.405
where: short stacking energy: -93.612
Base-Backbone interact. energy: -1.240
local terms energy: -108.924884
where:
bonds (distance) C4'-P energy: -20.572
bonds (distance) P-C4' energy: -26.358
flat angles C4'-P-C4' energy: -22.151
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -27.293
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: 10
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -273.656345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.656345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.309535 (E_RNA)
where:
Base-Base interactions energy: -178.645
where: short stacking energy: -76.098
Base-Backbone interact. energy: -0.320
local terms energy: -96.344776
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -22.909
flat angles C4'-P-C4' energy: -23.709
flat angles P-C4'-P energy: -14.455
tors. eta vs tors. theta energy: -20.578
Dist. restrs. and SS energy: 1.653 (S_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: -259.354138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.354138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.932397 (E_RNA)
where:
Base-Base interactions energy: -170.706
where: short stacking energy: -70.270
Base-Backbone interact. energy: -0.547
local terms energy: -91.679499
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -23.916
flat angles P-C4'-P energy: -20.814
tors. eta vs tors. theta energy: -13.996
Dist. restrs. and SS energy: 3.578 (S_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: 357
Temperature: 1.250000
Total energy: -278.164365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.164365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.296511 (E_RNA)
where:
Base-Base interactions energy: -191.262
where: short stacking energy: -75.121
Base-Backbone interact. energy: -0.278
local terms energy: -86.756806
where:
bonds (distance) C4'-P energy: -20.977
bonds (distance) P-C4' energy: -22.153
flat angles C4'-P-C4' energy: -21.590
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -11.612
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: 5
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -210.958620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.958620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.046142 (E_RNA)
where:
Base-Base interactions energy: -131.970
where: short stacking energy: -59.103
Base-Backbone interact. energy: -0.177
local terms energy: -82.898986
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -23.820
flat angles C4'-P-C4' energy: -19.290
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -13.204
Dist. restrs. and SS energy: 4.088 (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: 7
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -215.201124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.201124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.014401 (E_RNA)
where:
Base-Base interactions energy: -151.418
where: short stacking energy: -56.334
Base-Backbone interact. energy: -1.151
local terms energy: -65.445340
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -5.255
Dist. restrs. and SS energy: 2.813 (S_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: 358
Temperature: 0.900000
Total energy: -359.630349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.630349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.402536 (E_RNA)
where:
Base-Base interactions energy: -250.871
where: short stacking energy: -100.322
Base-Backbone interact. energy: 1.056
local terms energy: -110.586868
where:
bonds (distance) C4'-P energy: -20.814
bonds (distance) P-C4' energy: -20.800
flat angles C4'-P-C4' energy: -24.264
flat angles P-C4'-P energy: -16.957
tors. eta vs tors. theta energy: -27.752
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: 2, replica: 8
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -327.071692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.071692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.716395 (E_RNA)
where:
Base-Base interactions energy: -221.886
where: short stacking energy: -94.654
Base-Backbone interact. energy: -0.650
local terms energy: -106.180513
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -27.046
flat angles C4'-P-C4' energy: -24.854
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -24.519
Dist. restrs. and SS energy: 1.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -363.102385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.102385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.894249 (E_RNA)
where:
Base-Base interactions energy: -251.486
where: short stacking energy: -96.470
Base-Backbone interact. energy: -1.636
local terms energy: -111.772238
where:
bonds (distance) C4'-P energy: -20.781
bonds (distance) P-C4' energy: -21.620
flat angles C4'-P-C4' energy: -23.384
flat angles P-C4'-P energy: -17.695
tors. eta vs tors. theta energy: -28.291
Dist. restrs. and SS energy: 1.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -314.490812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.490812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.158447 (E_RNA)
where:
Base-Base interactions energy: -230.612
where: short stacking energy: -93.722
Base-Backbone interact. energy: -0.298
local terms energy: -84.248315
where:
bonds (distance) C4'-P energy: -10.498
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -19.519
flat angles P-C4'-P energy: -16.110
tors. eta vs tors. theta energy: -21.369
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: 5, replica: 2
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -342.509573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.509573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.647812 (E_RNA)
where:
Base-Base interactions energy: -231.273
where: short stacking energy: -100.507
Base-Backbone interact. energy: -0.152
local terms energy: -111.222934
where:
bonds (distance) C4'-P energy: -21.927
bonds (distance) P-C4' energy: -24.306
flat angles C4'-P-C4' energy: -19.784
flat angles P-C4'-P energy: -15.174
tors. eta vs tors. theta energy: -30.032
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: 10
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -274.267795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.267795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.158948 (E_RNA)
where:
Base-Base interactions energy: -185.635
where: short stacking energy: -72.830
Base-Backbone interact. energy: -0.501
local terms energy: -90.023110
where:
bonds (distance) C4'-P energy: -17.686
bonds (distance) P-C4' energy: -23.610
flat angles C4'-P-C4' energy: -20.069
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -16.802
Dist. restrs. and SS energy: 1.891 (S_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: 358
Temperature: 1.200000
Total energy: -272.660784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.660784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.459891 (E_RNA)
where:
Base-Base interactions energy: -188.119
where: short stacking energy: -73.925
Base-Backbone interact. energy: -0.182
local terms energy: -88.158707
where:
bonds (distance) C4'-P energy: -20.389
bonds (distance) P-C4' energy: -21.402
flat angles C4'-P-C4' energy: -17.165
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -19.067
Dist. restrs. and SS energy: 3.799 (S_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: -242.981553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.981553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.875776 (E_RNA)
where:
Base-Base interactions energy: -171.542
where: short stacking energy: -74.892
Base-Backbone interact. energy: -0.197
local terms energy: -73.136349
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -17.828
flat angles C4'-P-C4' energy: -20.103
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: -10.388
Dist. restrs. and SS energy: 1.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -240.757105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.757105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.700221 (E_RNA)
where:
Base-Base interactions energy: -160.619
where: short stacking energy: -62.512
Base-Backbone interact. energy: -0.085
local terms energy: -82.996474
where:
bonds (distance) C4'-P energy: -21.964
bonds (distance) P-C4' energy: -21.568
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -16.261
tors. eta vs tors. theta energy: -7.131
Dist. restrs. and SS energy: 2.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -187.261313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.261313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.527228 (E_RNA)
where:
Base-Base interactions energy: -119.794
where: short stacking energy: -48.947
Base-Backbone interact. energy: -0.279
local terms energy: -76.454693
where:
bonds (distance) C4'-P energy: -20.325
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -21.330
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -4.618
Dist. restrs. and SS energy: 9.266 (S_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: 359
Temperature: 0.900000
Total energy: -374.597517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.597517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.054835 (E_RNA)
where:
Base-Base interactions energy: -265.938
where: short stacking energy: -100.743
Base-Backbone interact. energy: -2.579
local terms energy: -107.538017
where:
bonds (distance) C4'-P energy: -19.257
bonds (distance) P-C4' energy: -27.009
flat angles C4'-P-C4' energy: -21.033
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -27.666
Dist. restrs. and SS energy: 1.457 (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: 1
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -361.756942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.756942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.135025 (E_RNA)
where:
Base-Base interactions energy: -253.370
where: short stacking energy: -96.084
Base-Backbone interact. energy: -0.754
local terms energy: -108.010629
where:
bonds (distance) C4'-P energy: -25.703
bonds (distance) P-C4' energy: -18.983
flat angles C4'-P-C4' energy: -20.872
flat angles P-C4'-P energy: -15.325
tors. eta vs tors. theta energy: -27.129
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: 3, replica: 8
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -323.809359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.809359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.769305 (E_RNA)
where:
Base-Base interactions energy: -219.711
where: short stacking energy: -82.786
Base-Backbone interact. energy: 0.704
local terms energy: -106.761627
where:
bonds (distance) C4'-P energy: -21.986
bonds (distance) P-C4' energy: -25.567
flat angles C4'-P-C4' energy: -21.701
flat angles P-C4'-P energy: -16.409
tors. eta vs tors. theta energy: -21.099
Dist. restrs. and SS energy: 1.960 (S_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: 359
Temperature: 1.050000
Total energy: -346.874171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.874171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.847239 (E_RNA)
where:
Base-Base interactions energy: -245.985
where: short stacking energy: -93.390
Base-Backbone interact. energy: -0.520
local terms energy: -101.341967
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -20.103
flat angles C4'-P-C4' energy: -21.773
flat angles P-C4'-P energy: -15.035
tors. eta vs tors. theta energy: -27.314
Dist. restrs. and SS energy: 0.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -320.110332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.110332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.926782 (E_RNA)
where:
Base-Base interactions energy: -222.418
where: short stacking energy: -87.171
Base-Backbone interact. energy: 0.070
local terms energy: -99.579022
where:
bonds (distance) C4'-P energy: -23.591
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -23.873
flat angles P-C4'-P energy: -13.943
tors. eta vs tors. theta energy: -23.406
Dist. restrs. and SS energy: 1.816 (S_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: 359
Temperature: 1.150000
Total energy: -279.653045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.653045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.391702 (E_RNA)
where:
Base-Base interactions energy: -186.663
where: short stacking energy: -80.874
Base-Backbone interact. energy: -0.614
local terms energy: -98.114805
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -17.642
flat angles C4'-P-C4' energy: -21.715
flat angles P-C4'-P energy: -21.272
tors. eta vs tors. theta energy: -20.305
Dist. restrs. and SS energy: 5.739 (S_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: 359
Temperature: 1.200000
Total energy: -260.626470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.626470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.314834 (E_RNA)
where:
Base-Base interactions energy: -166.804
where: short stacking energy: -73.857
Base-Backbone interact. energy: -0.709
local terms energy: -95.801411
where:
bonds (distance) C4'-P energy: -22.992
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -22.112
flat angles P-C4'-P energy: -18.409
tors. eta vs tors. theta energy: -16.005
Dist. restrs. and SS energy: 2.688 (S_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: 359
Temperature: 1.250000
Total energy: -267.355144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.355144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.911413 (E_RNA)
where:
Base-Base interactions energy: -190.610
where: short stacking energy: -78.286
Base-Backbone interact. energy: -0.955
local terms energy: -85.345754
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -22.284
flat angles C4'-P-C4' energy: -20.970
flat angles P-C4'-P energy: -15.037
tors. eta vs tors. theta energy: -15.750
Dist. restrs. and SS energy: 9.556 (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: 4
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -226.191768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.191768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.022795 (E_RNA)
where:
Base-Base interactions energy: -148.626
where: short stacking energy: -69.583
Base-Backbone interact. energy: -0.390
local terms energy: -82.006803
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -15.453
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -13.451
tors. eta vs tors. theta energy: -18.578
Dist. restrs. and SS energy: 4.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -196.017397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.017397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.235018 (E_RNA)
where:
Base-Base interactions energy: -131.547
where: short stacking energy: -42.157
Base-Backbone interact. energy: -0.704
local terms energy: -63.984574
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -5.220
tors. eta vs tors. theta energy: -9.147
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: 1, replica: 1
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -367.325105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.325105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.936070 (E_RNA)
where:
Base-Base interactions energy: -250.285
where: short stacking energy: -103.054
Base-Backbone interact. energy: -0.653
local terms energy: -116.998302
where:
bonds (distance) C4'-P energy: -21.981
bonds (distance) P-C4' energy: -25.774
flat angles C4'-P-C4' energy: -26.974
flat angles P-C4'-P energy: -15.931
tors. eta vs tors. theta energy: -26.338
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: 2, replica: 9
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -360.525876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.525876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.250986 (E_RNA)
where:
Base-Base interactions energy: -236.494
where: short stacking energy: -89.887
Base-Backbone interact. energy: -1.459
local terms energy: -124.298061
where:
bonds (distance) C4'-P energy: -24.967
bonds (distance) P-C4' energy: -23.318
flat angles C4'-P-C4' energy: -28.349
flat angles P-C4'-P energy: -20.964
tors. eta vs tors. theta energy: -26.700
Dist. restrs. and SS energy: 1.725 (S_DIST_RNA)
chem. 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: -354.240892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.240892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.786516 (E_RNA)
where:
Base-Base interactions energy: -253.524
where: short stacking energy: -98.198
Base-Backbone interact. energy: -0.644
local terms energy: -101.618342
where:
bonds (distance) C4'-P energy: -17.330
bonds (distance) P-C4' energy: -17.585
flat angles C4'-P-C4' energy: -22.509
flat angles P-C4'-P energy: -14.736
tors. eta vs tors. theta energy: -29.459
Dist. restrs. and SS energy: 1.546 (S_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: 360
Temperature: 1.050000
Total energy: -324.626059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.626059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.866021 (E_RNA)
where:
Base-Base interactions energy: -221.074
where: short stacking energy: -92.202
Base-Backbone interact. energy: -0.313
local terms energy: -103.478883
where:
bonds (distance) C4'-P energy: -17.570
bonds (distance) P-C4' energy: -27.469
flat angles C4'-P-C4' energy: -19.492
flat angles P-C4'-P energy: -15.789
tors. eta vs tors. theta energy: -23.158
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: 3
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -266.521897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.521897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.638850 (E_RNA)
where:
Base-Base interactions energy: -178.988
where: short stacking energy: -70.954
Base-Backbone interact. energy: -0.379
local terms energy: -90.271949
where:
bonds (distance) C4'-P energy: -17.896
bonds (distance) P-C4' energy: -23.201
flat angles C4'-P-C4' energy: -21.162
flat angles P-C4'-P energy: -16.563
tors. eta vs tors. theta energy: -11.449
Dist. restrs. and SS energy: 3.117 (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: 6
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -301.784973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.784973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.828631 (E_RNA)
where:
Base-Base interactions energy: -209.828
where: short stacking energy: -86.513
Base-Backbone interact. energy: 2.795
local terms energy: -95.796515
where:
bonds (distance) C4'-P energy: -21.573
bonds (distance) P-C4' energy: -18.142
flat angles C4'-P-C4' energy: -24.235
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -23.942
Dist. restrs. and SS energy: 1.044 (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: 10
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -280.454023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.454023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.940262 (E_RNA)
where:
Base-Base interactions energy: -197.171
where: short stacking energy: -81.711
Base-Backbone interact. energy: -0.568
local terms energy: -84.201749
where:
bonds (distance) C4'-P energy: -21.403
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -20.691
Dist. restrs. and SS energy: 1.486 (S_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: -226.759012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.759012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.845866 (E_RNA)
where:
Base-Base interactions energy: -151.113
where: short stacking energy: -64.810
Base-Backbone interact. energy: -1.046
local terms energy: -83.686343
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -18.885
flat angles C4'-P-C4' energy: -20.508
flat angles P-C4'-P energy: -14.107
tors. eta vs tors. theta energy: -13.693
Dist. restrs. and SS energy: 9.087 (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: 5
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -216.146876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.146876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.339825 (E_RNA)
where:
Base-Base interactions energy: -148.031
where: short stacking energy: -60.734
Base-Backbone interact. energy: 0.361
local terms energy: -75.670634
where:
bonds (distance) C4'-P energy: -20.556
bonds (distance) P-C4' energy: -23.249
flat angles C4'-P-C4' energy: -17.675
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -1.718
Dist. restrs. and SS energy: 7.193 (S_DIST_RNA)
chem. 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: -213.184890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.184890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.950629 (E_RNA)
where:
Base-Base interactions energy: -133.264
where: short stacking energy: -60.638
Base-Backbone interact. energy: -1.588
local terms energy: -81.099276
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -18.914
flat angles C4'-P-C4' energy: -21.880
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -11.164
Dist. restrs. and SS energy: 2.766 (S_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: 361
Temperature: 0.900000
Total energy: -371.788050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.788050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.329686 (E_RNA)
where:
Base-Base interactions energy: -262.460
where: short stacking energy: -100.863
Base-Backbone interact. energy: -0.667
local terms energy: -109.202567
where:
bonds (distance) C4'-P energy: -21.179
bonds (distance) P-C4' energy: -25.262
flat angles C4'-P-C4' energy: -20.304
flat angles P-C4'-P energy: -15.266
tors. eta vs tors. theta energy: -27.192
Dist. restrs. and SS energy: 0.542 (S_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: 361
Temperature: 0.950000
Total energy: -358.306809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.306809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.628263 (E_RNA)
where:
Base-Base interactions energy: -253.746
where: short stacking energy: -99.527
Base-Backbone interact. energy: -1.088
local terms energy: -104.794363
where:
bonds (distance) C4'-P energy: -19.824
bonds (distance) P-C4' energy: -19.479
flat angles C4'-P-C4' energy: -23.449
flat angles P-C4'-P energy: -14.329
tors. eta vs tors. theta energy: -27.713
Dist. restrs. and SS energy: 1.321 (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: 361
Temperature: 1.000000
Total energy: -360.054269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.054269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.135767 (E_RNA)
where:
Base-Base interactions energy: -245.374
where: short stacking energy: -95.903
Base-Backbone interact. energy: -0.744
local terms energy: -114.017387
where:
bonds (distance) C4'-P energy: -24.142
bonds (distance) P-C4' energy: -23.039
flat angles C4'-P-C4' energy: -21.986
flat angles P-C4'-P energy: -15.344
tors. eta vs tors. theta energy: -29.507
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: 8
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -320.374292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.374292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.744476 (E_RNA)
where:
Base-Base interactions energy: -224.858
where: short stacking energy: -84.055
Base-Backbone interact. energy: 2.329
local terms energy: -98.216023
where:
bonds (distance) C4'-P energy: -20.768
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -22.786
flat angles P-C4'-P energy: -13.446
tors. eta vs tors. theta energy: -21.640
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: 5, replica: 3
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -282.125661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.125661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.031998 (E_RNA)
where:
Base-Base interactions energy: -183.755
where: short stacking energy: -82.285
Base-Backbone interact. energy: -0.251
local terms energy: -100.026285
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -23.831
flat angles C4'-P-C4' energy: -23.496
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: -20.308
Dist. restrs. and SS energy: 1.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -321.996436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.996436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.899476 (E_RNA)
where:
Base-Base interactions energy: -226.957
where: short stacking energy: -83.470
Base-Backbone interact. energy: -1.141
local terms energy: -94.801605
where:
bonds (distance) C4'-P energy: -21.386
bonds (distance) P-C4' energy: -18.900
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -14.359
tors. eta vs tors. theta energy: -23.295
Dist. restrs. and SS energy: 0.903 (S_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: 361
Temperature: 1.200000
Total energy: -246.533570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.533570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.935877 (E_RNA)
where:
Base-Base interactions energy: -173.108
where: short stacking energy: -78.653
Base-Backbone interact. energy: -0.219
local terms energy: -80.608924
where:
bonds (distance) C4'-P energy: -16.826
bonds (distance) P-C4' energy: -18.696
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -14.696
tors. eta vs tors. theta energy: -13.194
Dist. restrs. and SS energy: 7.402 (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: 5
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -216.603886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.603886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.892970 (E_RNA)
where:
Base-Base interactions energy: -150.364
where: short stacking energy: -59.560
Base-Backbone interact. energy: 0.590
local terms energy: -68.119853
where:
bonds (distance) C4'-P energy: -20.921
bonds (distance) P-C4' energy: -20.758
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -6.096
Dist. restrs. and SS energy: 1.289 (S_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: -241.564160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.564160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.293522 (E_RNA)
where:
Base-Base interactions energy: -166.953
where: short stacking energy: -76.585
Base-Backbone interact. energy: 0.520
local terms energy: -82.860572
where:
bonds (distance) C4'-P energy: -19.402
bonds (distance) P-C4' energy: -19.012
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -18.900
Dist. restrs. and SS energy: 7.729 (S_DIST_RNA)
chem. 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: -226.210756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.210756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.179835 (E_RNA)
where:
Base-Base interactions energy: -150.401
where: short stacking energy: -63.255
Base-Backbone interact. energy: -1.045
local terms energy: -84.734412
where:
bonds (distance) C4'-P energy: -21.775
bonds (distance) P-C4' energy: -25.129
flat angles C4'-P-C4' energy: -19.327
flat angles P-C4'-P energy: -6.384
tors. eta vs tors. theta energy: -12.120
Dist. restrs. and SS energy: 9.969 (S_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: 362
Temperature: 0.900000
Total energy: -368.852066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.852066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.167161 (E_RNA)
where:
Base-Base interactions energy: -253.026
where: short stacking energy: -107.097
Base-Backbone interact. energy: -0.938
local terms energy: -116.202424
where:
bonds (distance) C4'-P energy: -20.523
bonds (distance) P-C4' energy: -23.909
flat angles C4'-P-C4' energy: -24.574
flat angles P-C4'-P energy: -18.864
tors. eta vs tors. theta energy: -28.331
Dist. restrs. and SS energy: 1.315 (S_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: 362
Temperature: 0.950000
Total energy: -360.777493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.777493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.580541 (E_RNA)
where:
Base-Base interactions energy: -246.308
where: short stacking energy: -96.331
Base-Backbone interact. energy: -0.914
local terms energy: -115.358593
where:
bonds (distance) C4'-P energy: -22.616
bonds (distance) P-C4' energy: -20.526
flat angles C4'-P-C4' energy: -24.834
flat angles P-C4'-P energy: -17.017
tors. eta vs tors. theta energy: -30.365
Dist. restrs. and SS energy: 1.803 (S_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: 362
Temperature: 1.000000
Total energy: -317.214039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.214039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.872889 (E_RNA)
where:
Base-Base interactions energy: -212.507
where: short stacking energy: -90.149
Base-Backbone interact. energy: -0.366
local terms energy: -105.000092
where:
bonds (distance) C4'-P energy: -23.233
bonds (distance) P-C4' energy: -23.168
flat angles C4'-P-C4' energy: -19.218
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: -24.110
Dist. restrs. and SS energy: 0.659 (S_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: 362
Temperature: 1.050000
Total energy: -335.701863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.701863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.578339 (E_RNA)
where:
Base-Base interactions energy: -224.640
where: short stacking energy: -83.808
Base-Backbone interact. energy: -1.564
local terms energy: -111.373634
where:
bonds (distance) C4'-P energy: -23.763
bonds (distance) P-C4' energy: -22.125
flat angles C4'-P-C4' energy: -22.911
flat angles P-C4'-P energy: -17.786
tors. eta vs tors. theta energy: -24.789
Dist. restrs. and SS energy: 1.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -320.024095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.024095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.550139 (E_RNA)
where:
Base-Base interactions energy: -216.937
where: short stacking energy: -90.097
Base-Backbone interact. energy: -0.261
local terms energy: -103.351561
where:
bonds (distance) C4'-P energy: -21.634
bonds (distance) P-C4' energy: -22.720
flat angles C4'-P-C4' energy: -21.188
flat angles P-C4'-P energy: -18.277
tors. eta vs tors. theta energy: -19.532
Dist. restrs. and SS energy: 0.526 (S_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: 362
Temperature: 1.150000
Total energy: -284.930568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.930568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.644122 (E_RNA)
where:
Base-Base interactions energy: -193.413
where: short stacking energy: -76.725
Base-Backbone interact. energy: -1.081
local terms energy: -92.151036
where:
bonds (distance) C4'-P energy: -19.182
bonds (distance) P-C4' energy: -19.412
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -17.914
tors. eta vs tors. theta energy: -18.981
Dist. restrs. and SS energy: 1.714 (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: 5
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -247.959637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.959637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.822953 (E_RNA)
where:
Base-Base interactions energy: -162.988
where: short stacking energy: -69.055
Base-Backbone interact. energy: 1.487
local terms energy: -90.321215
where:
bonds (distance) C4'-P energy: -25.957
bonds (distance) P-C4' energy: -23.128
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -16.421
Dist. restrs. and SS energy: 3.863 (S_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: 362
Temperature: 1.250000
Total energy: -258.087511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.087511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.863190 (E_RNA)
where:
Base-Base interactions energy: -169.101
where: short stacking energy: -69.440
Base-Backbone interact. energy: -0.595
local terms energy: -91.167739
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -22.755
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -20.599
Dist. restrs. and SS energy: 2.776 (S_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: -252.398900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.398900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.215561 (E_RNA)
where:
Base-Base interactions energy: -174.792
where: short stacking energy: -71.791
Base-Backbone interact. energy: -0.696
local terms energy: -81.727947
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -22.607
flat angles C4'-P-C4' energy: -22.585
flat angles P-C4'-P energy: -4.993
tors. eta vs tors. theta energy: -17.266
Dist. restrs. and SS energy: 4.817 (S_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: -239.089459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.089459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.016222 (E_RNA)
where:
Base-Base interactions energy: -167.383
where: short stacking energy: -75.107
Base-Backbone interact. energy: -0.057
local terms energy: -77.576502
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -19.899
flat angles P-C4'-P energy: -14.355
tors. eta vs tors. theta energy: -16.619
Dist. restrs. and SS energy: 5.927 (S_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: 363
Temperature: 0.900000
Total energy: -368.157564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.157564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.388795 (E_RNA)
where:
Base-Base interactions energy: -258.504
where: short stacking energy: -102.976
Base-Backbone interact. energy: -0.517
local terms energy: -110.368030
where:
bonds (distance) C4'-P energy: -22.099
bonds (distance) P-C4' energy: -23.958
flat angles C4'-P-C4' energy: -23.472
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -27.962
Dist. restrs. and SS energy: 1.231 (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: 9
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -348.422188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.422188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.386557 (E_RNA)
where:
Base-Base interactions energy: -241.352
where: short stacking energy: -89.240
Base-Backbone interact. energy: -1.098
local terms energy: -106.937133
where:
bonds (distance) C4'-P energy: -23.109
bonds (distance) P-C4' energy: -21.921
flat angles C4'-P-C4' energy: -20.333
flat angles P-C4'-P energy: -15.184
tors. eta vs tors. theta energy: -26.390
Dist. restrs. and SS energy: 0.964 (S_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: 363
Temperature: 1.000000
Total energy: -319.223067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.223067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.871656 (E_RNA)
where:
Base-Base interactions energy: -217.758
where: short stacking energy: -91.434
Base-Backbone interact. energy: -0.778
local terms energy: -102.335448
where:
bonds (distance) C4'-P energy: -20.958
bonds (distance) P-C4' energy: -20.854
flat angles C4'-P-C4' energy: -18.795
flat angles P-C4'-P energy: -18.107
tors. eta vs tors. theta energy: -23.623
Dist. restrs. and SS energy: 1.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -337.424387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.424387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.345448 (E_RNA)
where:
Base-Base interactions energy: -234.383
where: short stacking energy: -94.265
Base-Backbone interact. energy: -0.040
local terms energy: -103.922422
where:
bonds (distance) C4'-P energy: -20.408
bonds (distance) P-C4' energy: -17.685
flat angles C4'-P-C4' energy: -23.334
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -29.123
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: 5, replica: 2
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -343.451961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.451961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.663235 (E_RNA)
where:
Base-Base interactions energy: -242.758
where: short stacking energy: -86.709
Base-Backbone interact. energy: -0.472
local terms energy: -101.433780
where:
bonds (distance) C4'-P energy: -23.522
bonds (distance) P-C4' energy: -19.090
flat angles C4'-P-C4' energy: -21.383
flat angles P-C4'-P energy: -14.597
tors. eta vs tors. theta energy: -22.842
Dist. restrs. and SS energy: 1.211 (S_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: 363
Temperature: 1.150000
Total energy: -318.674442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.674442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.369156 (E_RNA)
where:
Base-Base interactions energy: -218.211
where: short stacking energy: -90.720
Base-Backbone interact. energy: -0.186
local terms energy: -100.971727
where:
bonds (distance) C4'-P energy: -18.988
bonds (distance) P-C4' energy: -19.532
flat angles C4'-P-C4' energy: -23.312
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: -25.068
Dist. restrs. and SS energy: 0.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -250.223435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.223435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.506783 (E_RNA)
where:
Base-Base interactions energy: -170.207
where: short stacking energy: -70.220
Base-Backbone interact. energy: -1.197
local terms energy: -89.103226
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -20.045
flat angles C4'-P-C4' energy: -22.045
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -15.963
Dist. restrs. and SS energy: 10.283 (S_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: 363
Temperature: 1.250000
Total energy: -277.649503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.649503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.135521 (E_RNA)
where:
Base-Base interactions energy: -181.603
where: short stacking energy: -76.178
Base-Backbone interact. energy: -0.347
local terms energy: -97.185116
where:
bonds (distance) C4'-P energy: -21.419
bonds (distance) P-C4' energy: -23.025
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -17.232
tors. eta vs tors. theta energy: -19.227
Dist. restrs. and SS energy: 1.486 (S_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: 363
Temperature: 1.300000
Total energy: -222.709815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.709815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.068307 (E_RNA)
where:
Base-Base interactions energy: -148.245
where: short stacking energy: -68.088
Base-Backbone interact. energy: 0.126
local terms energy: -77.948858
where:
bonds (distance) C4'-P energy: -18.512
bonds (distance) P-C4' energy: -24.189
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -6.855
tors. eta vs tors. theta energy: -11.241
Dist. restrs. and SS energy: 3.358 (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: 7
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -225.968592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.968592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.381262 (E_RNA)
where:
Base-Base interactions energy: -152.408
where: short stacking energy: -55.982
Base-Backbone interact. energy: 0.292
local terms energy: -75.265222
where:
bonds (distance) C4'-P energy: -23.662
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -8.740
Dist. restrs. and SS energy: 1.413 (S_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: 364
Temperature: 0.900000
Total energy: -360.662527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.662527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.351821 (E_RNA)
where:
Base-Base interactions energy: -254.102
where: short stacking energy: -91.048
Base-Backbone interact. energy: -1.770
local terms energy: -105.479457
where:
bonds (distance) C4'-P energy: -24.465
bonds (distance) P-C4' energy: -20.019
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -14.204
tors. eta vs tors. theta energy: -30.621
Dist. restrs. and SS energy: 0.689 (S_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: 364
Temperature: 0.950000
Total energy: -355.531186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.531186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.603061 (E_RNA)
where:
Base-Base interactions energy: -254.802
where: short stacking energy: -103.581
Base-Backbone interact. energy: -1.767
local terms energy: -100.033695
where:
bonds (distance) C4'-P energy: -18.174
bonds (distance) P-C4' energy: -21.804
flat angles C4'-P-C4' energy: -18.707
flat angles P-C4'-P energy: -13.957
tors. eta vs tors. theta energy: -27.391
Dist. restrs. and SS energy: 1.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -343.476050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.476050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.361589 (E_RNA)
where:
Base-Base interactions energy: -236.015
where: short stacking energy: -88.567
Base-Backbone interact. energy: -1.410
local terms energy: -106.935738
where:
bonds (distance) C4'-P energy: -20.789
bonds (distance) P-C4' energy: -23.831
flat angles C4'-P-C4' energy: -21.346
flat angles P-C4'-P energy: -16.088
tors. eta vs tors. theta energy: -24.882
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: 4, replica: 8
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -311.218361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.218361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.712386 (E_RNA)
where:
Base-Base interactions energy: -214.933
where: short stacking energy: -93.743
Base-Backbone interact. energy: -0.357
local terms energy: -97.422414
where:
bonds (distance) C4'-P energy: -21.853
bonds (distance) P-C4' energy: -19.876
flat angles C4'-P-C4' energy: -21.249
flat angles P-C4'-P energy: -14.867
tors. eta vs tors. theta energy: -19.578
Dist. restrs. and SS energy: 1.494 (S_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: 364
Temperature: 1.100000
Total energy: -339.101614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.101614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.548523 (E_RNA)
where:
Base-Base interactions energy: -234.985
where: short stacking energy: -96.578
Base-Backbone interact. energy: -0.478
local terms energy: -104.085232
where:
bonds (distance) C4'-P energy: -22.715
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -18.431
tors. eta vs tors. theta energy: -28.627
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: 3
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -299.772200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.772200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.296230 (E_RNA)
where:
Base-Base interactions energy: -207.515
where: short stacking energy: -86.744
Base-Backbone interact. energy: 1.628
local terms energy: -94.409246
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -25.587
flat angles C4'-P-C4' energy: -19.817
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -21.732
Dist. restrs. and SS energy: 0.524 (S_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: 364
Temperature: 1.200000
Total energy: -276.338304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.338304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.192850 (E_RNA)
where:
Base-Base interactions energy: -184.392
where: short stacking energy: -85.808
Base-Backbone interact. energy: -0.122
local terms energy: -92.679497
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -22.756
flat angles C4'-P-C4' energy: -20.855
flat angles P-C4'-P energy: -14.718
tors. eta vs tors. theta energy: -16.960
Dist. restrs. and SS energy: 0.855 (S_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: 364
Temperature: 1.250000
Total energy: -240.601325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.601325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.122886 (E_RNA)
where:
Base-Base interactions energy: -159.678
where: short stacking energy: -57.572
Base-Backbone interact. energy: -0.185
local terms energy: -86.260558
where:
bonds (distance) C4'-P energy: -21.838
bonds (distance) P-C4' energy: -19.885
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -16.561
Dist. restrs. and SS energy: 5.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -234.064138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.064138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.474113 (E_RNA)
where:
Base-Base interactions energy: -154.053
where: short stacking energy: -68.034
Base-Backbone interact. energy: 0.240
local terms energy: -84.660457
where:
bonds (distance) C4'-P energy: -12.871
bonds (distance) P-C4' energy: -21.224
flat angles C4'-P-C4' energy: -23.158
flat angles P-C4'-P energy: -15.407
tors. eta vs tors. theta energy: -12.001
Dist. restrs. and SS energy: 4.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -196.738915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.738915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.338355 (E_RNA)
where:
Base-Base interactions energy: -121.279
where: short stacking energy: -53.285
Base-Backbone interact. energy: -0.122
local terms energy: -80.937321
where:
bonds (distance) C4'-P energy: -21.871
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -15.708
tors. eta vs tors. theta energy: -9.264
Dist. restrs. and SS energy: 5.599 (S_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: 365
Temperature: 0.900000
Total energy: -365.833624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.833624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.103680 (E_RNA)
where:
Base-Base interactions energy: -260.284
where: short stacking energy: -91.480
Base-Backbone interact. energy: -0.691
local terms energy: -106.128847
where:
bonds (distance) C4'-P energy: -21.779
bonds (distance) P-C4' energy: -21.092
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -19.149
tors. eta vs tors. theta energy: -28.534
Dist. restrs. and SS energy: 1.270 (S_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: 365
Temperature: 0.950000
Total energy: -360.566448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.566448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.185357 (E_RNA)
where:
Base-Base interactions energy: -245.459
where: short stacking energy: -97.164
Base-Backbone interact. energy: -0.688
local terms energy: -115.038185
where:
bonds (distance) C4'-P energy: -28.075
bonds (distance) P-C4' energy: -21.511
flat angles C4'-P-C4' energy: -26.071
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -26.909
Dist. restrs. and SS energy: 0.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -347.776423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.776423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.858821 (E_RNA)
where:
Base-Base interactions energy: -246.961
where: short stacking energy: -86.135
Base-Backbone interact. energy: -1.467
local terms energy: -99.430965
where:
bonds (distance) C4'-P energy: -22.201
bonds (distance) P-C4' energy: -17.673
flat angles C4'-P-C4' energy: -21.202
flat angles P-C4'-P energy: -14.986
tors. eta vs tors. theta energy: -23.368
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: 4, replica: 2
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -358.014106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.014106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.024202 (E_RNA)
where:
Base-Base interactions energy: -253.083
where: short stacking energy: -98.506
Base-Backbone interact. energy: -0.225
local terms energy: -104.716235
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -22.590
flat angles C4'-P-C4' energy: -22.277
flat angles P-C4'-P energy: -15.416
tors. eta vs tors. theta energy: -28.832
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: 8
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -302.627013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.627013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.106849 (E_RNA)
where:
Base-Base interactions energy: -206.100
where: short stacking energy: -89.084
Base-Backbone interact. energy: -0.529
local terms energy: -96.477346
where:
bonds (distance) C4'-P energy: -20.664
bonds (distance) P-C4' energy: -20.238
flat angles C4'-P-C4' energy: -17.983
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -29.062
Dist. restrs. and SS energy: 0.480 (S_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: -302.413181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.413181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.268700 (E_RNA)
where:
Base-Base interactions energy: -201.310
where: short stacking energy: -84.763
Base-Backbone interact. energy: -0.810
local terms energy: -101.149618
where:
bonds (distance) C4'-P energy: -20.396
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -22.281
flat angles P-C4'-P energy: -17.014
tors. eta vs tors. theta energy: -22.503
Dist. restrs. and SS energy: 0.856 (S_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: 365
Temperature: 1.200000
Total energy: -269.989903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.989903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.759246 (E_RNA)
where:
Base-Base interactions energy: -183.367
where: short stacking energy: -70.114
Base-Backbone interact. energy: -0.155
local terms energy: -87.237522
where:
bonds (distance) C4'-P energy: -20.069
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -23.951
flat angles P-C4'-P energy: -14.684
tors. eta vs tors. theta energy: -14.908
Dist. restrs. and SS energy: 0.769 (S_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: 365
Temperature: 1.250000
Total energy: -243.579938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.579938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.011875 (E_RNA)
where:
Base-Base interactions energy: -162.280
where: short stacking energy: -60.360
Base-Backbone interact. energy: 0.383
local terms energy: -86.114867
where:
bonds (distance) C4'-P energy: -18.021
bonds (distance) P-C4' energy: -19.107
flat angles C4'-P-C4' energy: -20.955
flat angles P-C4'-P energy: -14.179
tors. eta vs tors. theta energy: -13.853
Dist. restrs. and SS energy: 4.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -242.172388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.172388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.995882 (E_RNA)
where:
Base-Base interactions energy: -158.833
where: short stacking energy: -69.547
Base-Backbone interact. energy: -0.628
local terms energy: -85.535514
where:
bonds (distance) C4'-P energy: -23.095
bonds (distance) P-C4' energy: -19.192
flat angles C4'-P-C4' energy: -21.040
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -12.530
Dist. restrs. and SS energy: 2.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -214.659689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.659689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.063415 (E_RNA)
where:
Base-Base interactions energy: -141.558
where: short stacking energy: -47.555
Base-Backbone interact. energy: -1.403
local terms energy: -74.102723
where:
bonds (distance) C4'-P energy: -17.767
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -18.839
flat angles P-C4'-P energy: -14.103
tors. eta vs tors. theta energy: -8.410
Dist. restrs. and SS energy: 2.404 (S_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: -374.090860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.090860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.943062 (E_RNA)
where:
Base-Base interactions energy: -260.965
where: short stacking energy: -100.645
Base-Backbone interact. energy: 0.055
local terms energy: -114.033090
where:
bonds (distance) C4'-P energy: -24.437
bonds (distance) P-C4' energy: -20.916
flat angles C4'-P-C4' energy: -22.983
flat angles P-C4'-P energy: -17.655
tors. eta vs tors. theta energy: -28.043
Dist. restrs. and SS energy: 0.852 (S_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: 366
Temperature: 0.950000
Total energy: -353.093750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.093750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.777733 (E_RNA)
where:
Base-Base interactions energy: -249.636
where: short stacking energy: -94.394
Base-Backbone interact. energy: -0.601
local terms energy: -104.540145
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -22.078
flat angles C4'-P-C4' energy: -23.452
flat angles P-C4'-P energy: -15.152
tors. eta vs tors. theta energy: -26.376
Dist. restrs. and SS energy: 1.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -362.209238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.209238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.379160 (E_RNA)
where:
Base-Base interactions energy: -251.270
where: short stacking energy: -104.687
Base-Backbone interact. energy: -0.300
local terms energy: -111.810112
where:
bonds (distance) C4'-P energy: -19.216
bonds (distance) P-C4' energy: -22.355
flat angles C4'-P-C4' energy: -19.777
flat angles P-C4'-P energy: -19.016
tors. eta vs tors. theta energy: -31.446
Dist. restrs. and SS energy: 1.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -335.205000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.205000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.768360 (E_RNA)
where:
Base-Base interactions energy: -231.632
where: short stacking energy: -90.374
Base-Backbone interact. energy: -1.012
local terms energy: -106.124575
where:
bonds (distance) C4'-P energy: -21.555
bonds (distance) P-C4' energy: -24.272
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -16.568
tors. eta vs tors. theta energy: -25.538
Dist. restrs. and SS energy: 3.563 (S_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: 366
Temperature: 1.100000
Total energy: -300.652548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.652548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.435478 (E_RNA)
where:
Base-Base interactions energy: -204.582
where: short stacking energy: -84.362
Base-Backbone interact. energy: 0.750
local terms energy: -99.603626
where:
bonds (distance) C4'-P energy: -24.826
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -17.929
tors. eta vs tors. theta energy: -25.841
Dist. restrs. and SS energy: 2.783 (S_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: 366
Temperature: 1.150000
Total energy: -291.060927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.060927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.139378 (E_RNA)
where:
Base-Base interactions energy: -187.202
where: short stacking energy: -74.049
Base-Backbone interact. energy: -0.058
local terms energy: -104.879485
where:
bonds (distance) C4'-P energy: -18.210
bonds (distance) P-C4' energy: -20.664
flat angles C4'-P-C4' energy: -26.502
flat angles P-C4'-P energy: -16.340
tors. eta vs tors. theta energy: -23.163
Dist. restrs. and SS energy: 1.078 (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: 5
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -260.964638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.964638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.939501 (E_RNA)
where:
Base-Base interactions energy: -181.823
where: short stacking energy: -69.284
Base-Backbone interact. energy: -0.471
local terms energy: -82.644944
where:
bonds (distance) C4'-P energy: -19.445
bonds (distance) P-C4' energy: -18.642
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -17.500
tors. eta vs tors. theta energy: -12.304
Dist. restrs. and SS energy: 3.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -262.853016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.853016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.613488 (E_RNA)
where:
Base-Base interactions energy: -173.880
where: short stacking energy: -72.083
Base-Backbone interact. energy: -0.050
local terms energy: -90.684018
where:
bonds (distance) C4'-P energy: -22.678
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -20.994
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -16.722
Dist. restrs. and SS energy: 1.760 (S_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: 366
Temperature: 1.300000
Total energy: -225.096776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.096776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.408143 (E_RNA)
where:
Base-Base interactions energy: -161.450
where: short stacking energy: -54.634
Base-Backbone interact. energy: -1.086
local terms energy: -62.872323
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -4.895
tors. eta vs tors. theta energy: -8.806
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: 10, replica: 7
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -261.359737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.359737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.805092 (E_RNA)
where:
Base-Base interactions energy: -176.347
where: short stacking energy: -71.240
Base-Backbone interact. energy: -0.877
local terms energy: -86.580715
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -11.609
flat angles C4'-P-C4' energy: -23.910
flat angles P-C4'-P energy: -17.113
tors. eta vs tors. theta energy: -20.483
Dist. restrs. and SS energy: 2.445 (S_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: -370.252369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.252369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.686335 (E_RNA)
where:
Base-Base interactions energy: -260.882
where: short stacking energy: -95.554
Base-Backbone interact. energy: -1.930
local terms energy: -108.873573
where:
bonds (distance) C4'-P energy: -22.611
bonds (distance) P-C4' energy: -25.300
flat angles C4'-P-C4' energy: -18.900
flat angles P-C4'-P energy: -15.542
tors. eta vs tors. theta energy: -26.520
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: 2, replica: 2
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -361.738430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.738430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.860541 (E_RNA)
where:
Base-Base interactions energy: -248.073
where: short stacking energy: -103.322
Base-Backbone interact. energy: 0.948
local terms energy: -115.735542
where:
bonds (distance) C4'-P energy: -20.260
bonds (distance) P-C4' energy: -24.746
flat angles C4'-P-C4' energy: -24.636
flat angles P-C4'-P energy: -17.327
tors. eta vs tors. theta energy: -28.766
Dist. restrs. and SS energy: 1.122 (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: 9
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -356.761646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.761646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.307994 (E_RNA)
where:
Base-Base interactions energy: -255.907
where: short stacking energy: -105.680
Base-Backbone interact. energy: -0.416
local terms energy: -101.984784
where:
bonds (distance) C4'-P energy: -20.341
bonds (distance) P-C4' energy: -13.767
flat angles C4'-P-C4' energy: -23.110
flat angles P-C4'-P energy: -14.533
tors. eta vs tors. theta energy: -30.234
Dist. restrs. and SS energy: 1.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -335.328778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.328778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.373877 (E_RNA)
where:
Base-Base interactions energy: -233.014
where: short stacking energy: -90.306
Base-Backbone interact. energy: -0.547
local terms energy: -101.813009
where:
bonds (distance) C4'-P energy: -22.283
bonds (distance) P-C4' energy: -21.731
flat angles C4'-P-C4' energy: -18.779
flat angles P-C4'-P energy: -16.192
tors. eta vs tors. theta energy: -22.828
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: 3
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -287.309606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.309606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.382195 (E_RNA)
where:
Base-Base interactions energy: -188.945
where: short stacking energy: -89.065
Base-Backbone interact. energy: -0.151
local terms energy: -103.286538
where:
bonds (distance) C4'-P energy: -19.184
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -22.936
flat angles P-C4'-P energy: -17.219
tors. eta vs tors. theta energy: -23.307
Dist. restrs. and SS energy: 5.073 (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: 8
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -289.004400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.004400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.663839 (E_RNA)
where:
Base-Base interactions energy: -205.380
where: short stacking energy: -95.813
Base-Backbone interact. energy: 0.049
local terms energy: -92.333327
where:
bonds (distance) C4'-P energy: -19.050
bonds (distance) P-C4' energy: -10.486
flat angles C4'-P-C4' energy: -21.006
flat angles P-C4'-P energy: -15.906
tors. eta vs tors. theta energy: -25.886
Dist. restrs. and SS energy: 8.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -263.519381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.519381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.521444 (E_RNA)
where:
Base-Base interactions energy: -178.541
where: short stacking energy: -71.632
Base-Backbone interact. energy: -0.213
local terms energy: -85.767238
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -16.704
flat angles C4'-P-C4' energy: -23.789
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -18.794
Dist. restrs. and SS energy: 1.002 (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: 367
Temperature: 1.250000
Total energy: -259.708583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.708583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.971655 (E_RNA)
where:
Base-Base interactions energy: -175.885
where: short stacking energy: -74.950
Base-Backbone interact. energy: -0.880
local terms energy: -87.206534
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -24.123
flat angles P-C4'-P energy: -17.650
tors. eta vs tors. theta energy: -14.964
Dist. restrs. and SS energy: 4.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -237.969621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.969621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.566778 (E_RNA)
where:
Base-Base interactions energy: -165.453
where: short stacking energy: -70.644
Base-Backbone interact. energy: -0.669
local terms energy: -73.444093
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -13.434
Dist. restrs. and SS energy: 1.597 (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: 7
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -227.881930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.881930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.298258 (E_RNA)
where:
Base-Base interactions energy: -155.395
where: short stacking energy: -58.092
Base-Backbone interact. energy: 0.139
local terms energy: -74.042498
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -18.050
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -17.039
Dist. restrs. and SS energy: 1.416 (S_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: 368
Temperature: 0.900000
Total energy: -372.747436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.747436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.402684 (E_RNA)
where:
Base-Base interactions energy: -265.647
where: short stacking energy: -98.492
Base-Backbone interact. energy: -0.762
local terms energy: -107.993697
where:
bonds (distance) C4'-P energy: -24.128
bonds (distance) P-C4' energy: -19.331
flat angles C4'-P-C4' energy: -19.542
flat angles P-C4'-P energy: -17.505
tors. eta vs tors. theta energy: -27.487
Dist. restrs. and SS energy: 1.655 (S_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: 368
Temperature: 0.950000
Total energy: -357.968998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.968998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.622973 (E_RNA)
where:
Base-Base interactions energy: -245.161
where: short stacking energy: -95.200
Base-Backbone interact. energy: -1.094
local terms energy: -113.368220
where:
bonds (distance) C4'-P energy: -19.687
bonds (distance) P-C4' energy: -22.155
flat angles C4'-P-C4' energy: -25.397
flat angles P-C4'-P energy: -15.696
tors. eta vs tors. theta energy: -30.433
Dist. restrs. and SS energy: 1.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -345.751014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.751014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.990346 (E_RNA)
where:
Base-Base interactions energy: -237.464
where: short stacking energy: -93.714
Base-Backbone interact. energy: -0.780
local terms energy: -107.747204
where:
bonds (distance) C4'-P energy: -18.955
bonds (distance) P-C4' energy: -21.541
flat angles C4'-P-C4' energy: -25.249
flat angles P-C4'-P energy: -14.265
tors. eta vs tors. theta energy: -27.737
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: 4, replica: 1
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -336.654232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.654232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.800504 (E_RNA)
where:
Base-Base interactions energy: -241.836
where: short stacking energy: -93.414
Base-Backbone interact. energy: -1.155
local terms energy: -94.809638
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -16.697
tors. eta vs tors. theta energy: -25.177
Dist. restrs. and SS energy: 1.146 (S_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: 368
Temperature: 1.100000
Total energy: -302.458581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.458581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.391355 (E_RNA)
where:
Base-Base interactions energy: -202.540
where: short stacking energy: -92.507
Base-Backbone interact. energy: -0.006
local terms energy: -101.845998
where:
bonds (distance) C4'-P energy: -21.171
bonds (distance) P-C4' energy: -16.806
flat angles C4'-P-C4' energy: -24.921
flat angles P-C4'-P energy: -13.206
tors. eta vs tors. theta energy: -25.742
Dist. restrs. and SS energy: 1.933 (S_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: 368
Temperature: 1.150000
Total energy: -265.581345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.581345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.401241 (E_RNA)
where:
Base-Base interactions energy: -167.228
where: short stacking energy: -69.256
Base-Backbone interact. energy: 0.864
local terms energy: -104.037244
where:
bonds (distance) C4'-P energy: -19.515
bonds (distance) P-C4' energy: -20.742
flat angles C4'-P-C4' energy: -24.293
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -25.028
Dist. restrs. and SS energy: 4.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -270.434034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.434034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.884591 (E_RNA)
where:
Base-Base interactions energy: -174.424
where: short stacking energy: -81.904
Base-Backbone interact. energy: 1.259
local terms energy: -103.719703
where:
bonds (distance) C4'-P energy: -23.208
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -18.730
tors. eta vs tors. theta energy: -21.489
Dist. restrs. and SS energy: 6.451 (S_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: 368
Temperature: 1.250000
Total energy: -241.549733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.549733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.995164 (E_RNA)
where:
Base-Base interactions energy: -159.730
where: short stacking energy: -54.387
Base-Backbone interact. energy: -1.007
local terms energy: -82.258511
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -23.399
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -10.820
Dist. restrs. and SS energy: 1.445 (S_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: 368
Temperature: 1.300000
Total energy: -257.554346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.554346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.741445 (E_RNA)
where:
Base-Base interactions energy: -176.409
where: short stacking energy: -66.290
Base-Backbone interact. energy: -0.496
local terms energy: -85.836171
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -25.190
flat angles C4'-P-C4' energy: -20.317
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -19.390
Dist. restrs. and SS energy: 5.187 (S_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: 368
Temperature: 1.350000
Total energy: -228.698624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.698624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.731105 (E_RNA)
where:
Base-Base interactions energy: -157.792
where: short stacking energy: -67.048
Base-Backbone interact. energy: -1.125
local terms energy: -74.814085
where:
bonds (distance) C4'-P energy: -19.727
bonds (distance) P-C4' energy: -16.972
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -12.091
Dist. restrs. and SS energy: 5.032 (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: 369
Temperature: 0.900000
Total energy: -366.456551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.456551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.771545 (E_RNA)
where:
Base-Base interactions energy: -257.429
where: short stacking energy: -102.953
Base-Backbone interact. energy: -0.602
local terms energy: -109.740908
where:
bonds (distance) C4'-P energy: -20.675
bonds (distance) P-C4' energy: -21.278
flat angles C4'-P-C4' energy: -22.698
flat angles P-C4'-P energy: -16.945
tors. eta vs tors. theta energy: -28.145
Dist. restrs. and SS energy: 1.315 (S_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: -360.488517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.488517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.490625 (E_RNA)
where:
Base-Base interactions energy: -257.879
where: short stacking energy: -107.204
Base-Backbone interact. energy: -0.889
local terms energy: -102.723088
where:
bonds (distance) C4'-P energy: -21.464
bonds (distance) P-C4' energy: -20.293
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -16.304
tors. eta vs tors. theta energy: -28.250
Dist. restrs. and SS energy: 1.002 (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: 9
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -351.915230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.915230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.293913 (E_RNA)
where:
Base-Base interactions energy: -246.812
where: short stacking energy: -87.736
Base-Backbone interact. energy: -0.495
local terms energy: -104.986771
where:
bonds (distance) C4'-P energy: -24.926
bonds (distance) P-C4' energy: -24.353
flat angles C4'-P-C4' energy: -21.797
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -24.880
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: 4, replica: 1
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -332.829428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.829428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.113600 (E_RNA)
where:
Base-Base interactions energy: -226.983
where: short stacking energy: -83.423
Base-Backbone interact. energy: -1.307
local terms energy: -104.823536
where:
bonds (distance) C4'-P energy: -21.696
bonds (distance) P-C4' energy: -23.376
flat angles C4'-P-C4' energy: -25.803
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -23.582
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: 5, replica: 3
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -289.803279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.803279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.116139 (E_RNA)
where:
Base-Base interactions energy: -195.526
where: short stacking energy: -88.421
Base-Backbone interact. energy: -0.437
local terms energy: -97.152845
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -18.564
flat angles C4'-P-C4' energy: -22.485
flat angles P-C4'-P energy: -16.298
tors. eta vs tors. theta energy: -23.028
Dist. restrs. and SS energy: 3.313 (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: 5
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -275.391324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.391324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.269892 (E_RNA)
where:
Base-Base interactions energy: -177.723
where: short stacking energy: -69.653
Base-Backbone interact. energy: -0.192
local terms energy: -99.354703
where:
bonds (distance) C4'-P energy: -20.944
bonds (distance) P-C4' energy: -27.338
flat angles C4'-P-C4' energy: -22.605
flat angles P-C4'-P energy: -14.264
tors. eta vs tors. theta energy: -14.203
Dist. restrs. and SS energy: 1.879 (S_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: 369
Temperature: 1.200000
Total energy: -273.775117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.775117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.789469 (E_RNA)
where:
Base-Base interactions energy: -176.928
where: short stacking energy: -75.029
Base-Backbone interact. energy: -0.085
local terms energy: -97.776023
where:
bonds (distance) C4'-P energy: -21.536
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -17.828
tors. eta vs tors. theta energy: -18.311
Dist. restrs. and SS energy: 1.014 (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: 369
Temperature: 1.250000
Total energy: -253.760969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.760969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.562151 (E_RNA)
where:
Base-Base interactions energy: -175.958
where: short stacking energy: -63.289
Base-Backbone interact. energy: -0.717
local terms energy: -78.887579
where:
bonds (distance) C4'-P energy: -21.568
bonds (distance) P-C4' energy: -20.268
flat angles C4'-P-C4' energy: -19.008
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -7.457
Dist. restrs. and SS energy: 1.801 (S_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: 369
Temperature: 1.300000
Total energy: -247.473012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.473012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.460376 (E_RNA)
where:
Base-Base interactions energy: -163.131
where: short stacking energy: -74.217
Base-Backbone interact. energy: -0.361
local terms energy: -91.968522
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -23.265
flat angles P-C4'-P energy: -15.678
tors. eta vs tors. theta energy: -19.101
Dist. restrs. and SS energy: 7.987 (S_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: 369
Temperature: 1.350000
Total energy: -226.501390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.501390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.614801 (E_RNA)
where:
Base-Base interactions energy: -154.754
where: short stacking energy: -63.969
Base-Backbone interact. energy: -0.263
local terms energy: -72.597801
where:
bonds (distance) C4'-P energy: -18.862
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -13.542
Dist. restrs. and SS energy: 1.113 (S_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: 370
Temperature: 0.900000
Total energy: -353.724632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.724632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.535387 (E_RNA)
where:
Base-Base interactions energy: -248.217
where: short stacking energy: -90.738
Base-Backbone interact. energy: -2.386
local terms energy: -103.932812
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -21.171
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -18.636
tors. eta vs tors. theta energy: -26.349
Dist. restrs. and SS energy: 0.811 (S_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: 370
Temperature: 0.950000
Total energy: -365.168310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.168310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.848126 (E_RNA)
where:
Base-Base interactions energy: -253.487
where: short stacking energy: -92.986
Base-Backbone interact. energy: -0.448
local terms energy: -112.912479
where:
bonds (distance) C4'-P energy: -21.558
bonds (distance) P-C4' energy: -26.356
flat angles C4'-P-C4' energy: -22.660
flat angles P-C4'-P energy: -16.949
tors. eta vs tors. theta energy: -25.390
Dist. restrs. and SS energy: 1.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -349.515906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.515906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.438078 (E_RNA)
where:
Base-Base interactions energy: -251.051
where: short stacking energy: -92.492
Base-Backbone interact. energy: 0.231
local terms energy: -100.618002
where:
bonds (distance) C4'-P energy: -19.750
bonds (distance) P-C4' energy: -25.506
flat angles C4'-P-C4' energy: -21.045
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -24.743
Dist. restrs. and SS energy: 1.922 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -325.283354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.283354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.423424 (E_RNA)
where:
Base-Base interactions energy: -221.364
where: short stacking energy: -73.985
Base-Backbone interact. energy: -1.618
local terms energy: -103.441182
where:
bonds (distance) C4'-P energy: -24.521
bonds (distance) P-C4' energy: -22.476
flat angles C4'-P-C4' energy: -20.765
flat angles P-C4'-P energy: -13.581
tors. eta vs tors. theta energy: -22.098
Dist. restrs. and SS energy: 1.140 (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: 5
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -277.657114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.657114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.203137 (E_RNA)
where:
Base-Base interactions energy: -186.217
where: short stacking energy: -88.735
Base-Backbone interact. energy: -1.372
local terms energy: -90.613744
where:
bonds (distance) C4'-P energy: -10.851
bonds (distance) P-C4' energy: -23.310
flat angles C4'-P-C4' energy: -19.264
flat angles P-C4'-P energy: -17.229
tors. eta vs tors. theta energy: -19.959
Dist. restrs. and SS energy: 0.546 (S_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: 370
Temperature: 1.150000
Total energy: -273.519983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.519983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.593437 (E_RNA)
where:
Base-Base interactions energy: -183.582
where: short stacking energy: -87.153
Base-Backbone interact. energy: 0.222
local terms energy: -95.233686
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -22.611
flat angles C4'-P-C4' energy: -18.213
flat angles P-C4'-P energy: -14.420
tors. eta vs tors. theta energy: -22.622
Dist. restrs. and SS energy: 5.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -259.589432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.589432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.669123 (E_RNA)
where:
Base-Base interactions energy: -167.954
where: short stacking energy: -82.706
Base-Backbone interact. energy: -1.091
local terms energy: -93.623627
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -26.054
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -14.600
tors. eta vs tors. theta energy: -18.206
Dist. restrs. and SS energy: 3.080 (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: 8
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -272.119508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.119508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.032220 (E_RNA)
where:
Base-Base interactions energy: -180.647
where: short stacking energy: -71.387
Base-Backbone interact. energy: -0.218
local terms energy: -95.168025
where:
bonds (distance) C4'-P energy: -23.275
bonds (distance) P-C4' energy: -23.030
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -16.915
tors. eta vs tors. theta energy: -16.597
Dist. restrs. and SS energy: 3.913 (S_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: 370
Temperature: 1.300000
Total energy: -237.429806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.429806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.672845 (E_RNA)
where:
Base-Base interactions energy: -149.605
where: short stacking energy: -63.485
Base-Backbone interact. energy: -0.131
local terms energy: -88.937650
where:
bonds (distance) C4'-P energy: -19.213
bonds (distance) P-C4' energy: -23.207
flat angles C4'-P-C4' energy: -20.062
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -13.362
Dist. restrs. and SS energy: 1.243 (S_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: 370
Temperature: 1.350000
Total energy: -212.442501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.442501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.799541 (E_RNA)
where:
Base-Base interactions energy: -129.554
where: short stacking energy: -57.861
Base-Backbone interact. energy: -0.590
local terms energy: -84.656378
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -22.003
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -14.988
tors. eta vs tors. theta energy: -14.036
Dist. restrs. and SS energy: 2.357 (S_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: 371
Temperature: 0.900000
Total energy: -375.448543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.448543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.114742 (E_RNA)
where:
Base-Base interactions energy: -258.531
where: short stacking energy: -92.969
Base-Backbone interact. energy: -0.103
local terms energy: -117.480806
where:
bonds (distance) C4'-P energy: -21.634
bonds (distance) P-C4' energy: -25.263
flat angles C4'-P-C4' energy: -21.609
flat angles P-C4'-P energy: -20.260
tors. eta vs tors. theta energy: -28.715
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: 2, replica: 6
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -365.304741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.304741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.859451 (E_RNA)
where:
Base-Base interactions energy: -248.447
where: short stacking energy: -99.138
Base-Backbone interact. energy: -2.429
local terms energy: -116.984142
where:
bonds (distance) C4'-P energy: -24.407
bonds (distance) P-C4' energy: -22.316
flat angles C4'-P-C4' energy: -25.240
flat angles P-C4'-P energy: -17.407
tors. eta vs tors. theta energy: -27.614
Dist. restrs. and SS energy: 2.555 (S_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: 371
Temperature: 1.000000
Total energy: -349.831850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.831850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.156645 (E_RNA)
where:
Base-Base interactions energy: -235.646
where: short stacking energy: -89.369
Base-Backbone interact. energy: -0.844
local terms energy: -114.666490
where:
bonds (distance) C4'-P energy: -22.613
bonds (distance) P-C4' energy: -18.413
flat angles C4'-P-C4' energy: -24.029
flat angles P-C4'-P energy: -18.805
tors. eta vs tors. theta energy: -30.806
Dist. restrs. and SS energy: 1.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -331.072208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.072208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.214349 (E_RNA)
where:
Base-Base interactions energy: -228.263
where: short stacking energy: -80.399
Base-Backbone interact. energy: -0.979
local terms energy: -102.972841
where:
bonds (distance) C4'-P energy: -18.704
bonds (distance) P-C4' energy: -23.238
flat angles C4'-P-C4' energy: -24.132
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -24.069
Dist. restrs. and SS energy: 1.142 (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: 5
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -288.494761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.494761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.661648 (E_RNA)
where:
Base-Base interactions energy: -206.085
where: short stacking energy: -75.778
Base-Backbone interact. energy: 0.807
local terms energy: -83.384417
where:
bonds (distance) C4'-P energy: -19.502
bonds (distance) P-C4' energy: -19.459
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -15.049
tors. eta vs tors. theta energy: -15.592
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: 6, replica: 7
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -281.761642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.761642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.434449 (E_RNA)
where:
Base-Base interactions energy: -190.176
where: short stacking energy: -74.126
Base-Backbone interact. energy: -0.608
local terms energy: -91.650251
where:
bonds (distance) C4'-P energy: -20.665
bonds (distance) P-C4' energy: -19.525
flat angles C4'-P-C4' energy: -21.055
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -18.674
Dist. restrs. and SS energy: 0.673 (S_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: 371
Temperature: 1.200000
Total energy: -268.399389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.399389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.243324 (E_RNA)
where:
Base-Base interactions energy: -171.563
where: short stacking energy: -79.707
Base-Backbone interact. energy: -0.271
local terms energy: -100.409328
where:
bonds (distance) C4'-P energy: -19.854
bonds (distance) P-C4' energy: -20.986
flat angles C4'-P-C4' energy: -22.798
flat angles P-C4'-P energy: -14.588
tors. eta vs tors. theta energy: -22.183
Dist. restrs. and SS energy: 3.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -254.623057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.623057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.708705 (E_RNA)
where:
Base-Base interactions energy: -173.307
where: short stacking energy: -71.533
Base-Backbone interact. energy: 1.174
local terms energy: -86.575355
where:
bonds (distance) C4'-P energy: -20.244
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -14.632
tors. eta vs tors. theta energy: -15.025
Dist. restrs. and SS energy: 4.086 (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: 4
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -260.920515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.920515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.337894 (E_RNA)
where:
Base-Base interactions energy: -167.490
where: short stacking energy: -71.959
Base-Backbone interact. energy: -0.433
local terms energy: -97.414432
where:
bonds (distance) C4'-P energy: -19.126
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -24.588
flat angles P-C4'-P energy: -18.969
tors. eta vs tors. theta energy: -20.432
Dist. restrs. and SS energy: 4.417 (S_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: 371
Temperature: 1.350000
Total energy: -213.416037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.416037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.970534 (E_RNA)
where:
Base-Base interactions energy: -135.285
where: short stacking energy: -47.922
Base-Backbone interact. energy: 0.943
local terms energy: -79.628762
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -18.509
flat angles C4'-P-C4' energy: -20.609
flat angles P-C4'-P energy: -14.857
tors. eta vs tors. theta energy: -8.310
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: 1, replica: 2
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -369.426199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.426199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.309788 (E_RNA)
where:
Base-Base interactions energy: -253.581
where: short stacking energy: -100.169
Base-Backbone interact. energy: 0.163
local terms energy: -116.892301
where:
bonds (distance) C4'-P energy: -19.240
bonds (distance) P-C4' energy: -23.579
flat angles C4'-P-C4' energy: -21.622
flat angles P-C4'-P energy: -20.206
tors. eta vs tors. theta energy: -32.245
Dist. restrs. and SS energy: 0.884 (S_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: 372
Temperature: 0.950000
Total energy: -363.548266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.548266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.460915 (E_RNA)
where:
Base-Base interactions energy: -254.779
where: short stacking energy: -99.772
Base-Backbone interact. energy: -2.794
local terms energy: -106.887395
where:
bonds (distance) C4'-P energy: -20.042
bonds (distance) P-C4' energy: -21.994
flat angles C4'-P-C4' energy: -20.757
flat angles P-C4'-P energy: -15.454
tors. eta vs tors. theta energy: -28.641
Dist. restrs. and SS energy: 0.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -354.624796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.624796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.068996 (E_RNA)
where:
Base-Base interactions energy: -241.919
where: short stacking energy: -99.763
Base-Backbone interact. energy: 0.721
local terms energy: -114.870263
where:
bonds (distance) C4'-P energy: -23.393
bonds (distance) P-C4' energy: -21.569
flat angles C4'-P-C4' energy: -22.782
flat angles P-C4'-P energy: -14.533
tors. eta vs tors. theta energy: -32.594
Dist. restrs. and SS energy: 1.444 (S_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: 372
Temperature: 1.050000
Total energy: -355.473318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.473318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.058281 (E_RNA)
where:
Base-Base interactions energy: -240.255
where: short stacking energy: -93.174
Base-Backbone interact. energy: -1.262
local terms energy: -114.541376
where:
bonds (distance) C4'-P energy: -21.266
bonds (distance) P-C4' energy: -20.504
flat angles C4'-P-C4' energy: -22.164
flat angles P-C4'-P energy: -20.372
tors. eta vs tors. theta energy: -30.235
Dist. restrs. and SS energy: 0.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -309.173530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.173530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.625819 (E_RNA)
where:
Base-Base interactions energy: -209.767
where: short stacking energy: -95.804
Base-Backbone interact. energy: -0.313
local terms energy: -100.546025
where:
bonds (distance) C4'-P energy: -13.977
bonds (distance) P-C4' energy: -24.575
flat angles C4'-P-C4' energy: -23.232
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -30.214
Dist. restrs. and SS energy: 1.452 (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: 5
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -280.002201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.002201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.474865 (E_RNA)
where:
Base-Base interactions energy: -181.074
where: short stacking energy: -74.808
Base-Backbone interact. energy: -0.633
local terms energy: -100.767432
where:
bonds (distance) C4'-P energy: -20.889
bonds (distance) P-C4' energy: -24.389
flat angles C4'-P-C4' energy: -21.523
flat angles P-C4'-P energy: -15.569
tors. eta vs tors. theta energy: -18.397
Dist. restrs. and SS energy: 2.473 (S_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: 372
Temperature: 1.200000
Total energy: -256.819756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.819756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.180747 (E_RNA)
where:
Base-Base interactions energy: -174.692
where: short stacking energy: -70.449
Base-Backbone interact. energy: -0.082
local terms energy: -84.405986
where:
bonds (distance) C4'-P energy: -18.074
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -23.847
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -14.356
Dist. restrs. and SS energy: 2.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -262.088289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.088289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.961643 (E_RNA)
where:
Base-Base interactions energy: -194.259
where: short stacking energy: -78.690
Base-Backbone interact. energy: -0.042
local terms energy: -68.661134
where:
bonds (distance) C4'-P energy: -8.985
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -17.981
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -16.654
Dist. restrs. and SS energy: 0.873 (S_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: -253.906935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.906935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.332134 (E_RNA)
where:
Base-Base interactions energy: -155.072
where: short stacking energy: -69.836
Base-Backbone interact. energy: -0.395
local terms energy: -104.866030
where:
bonds (distance) C4'-P energy: -27.000
bonds (distance) P-C4' energy: -21.335
flat angles C4'-P-C4' energy: -25.630
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -19.916
Dist. restrs. and SS energy: 6.425 (S_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: 372
Temperature: 1.350000
Total energy: -205.672262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.672262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.528745 (E_RNA)
where:
Base-Base interactions energy: -138.175
where: short stacking energy: -54.553
Base-Backbone interact. energy: -0.694
local terms energy: -68.658932
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -21.927
flat angles P-C4'-P energy: -3.345
tors. eta vs tors. theta energy: -9.895
Dist. restrs. and SS energy: 1.856 (S_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: 373
Temperature: 0.900000
Total energy: -364.765493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.765493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.696686 (E_RNA)
where:
Base-Base interactions energy: -249.814
where: short stacking energy: -104.874
Base-Backbone interact. energy: -0.420
local terms energy: -115.462659
where:
bonds (distance) C4'-P energy: -20.520
bonds (distance) P-C4' energy: -24.008
flat angles C4'-P-C4' energy: -22.751
flat angles P-C4'-P energy: -17.372
tors. eta vs tors. theta energy: -30.813
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: 2, replica: 6
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -361.675248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.675248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.179030 (E_RNA)
where:
Base-Base interactions energy: -252.075
where: short stacking energy: -100.150
Base-Backbone interact. energy: -3.089
local terms energy: -108.014595
where:
bonds (distance) C4'-P energy: -19.142
bonds (distance) P-C4' energy: -24.019
flat angles C4'-P-C4' energy: -23.576
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -29.112
Dist. restrs. and SS energy: 1.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -357.816026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.816026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.867489 (E_RNA)
where:
Base-Base interactions energy: -240.190
where: short stacking energy: -94.535
Base-Backbone interact. energy: -0.732
local terms energy: -117.945736
where:
bonds (distance) C4'-P energy: -21.530
bonds (distance) P-C4' energy: -22.159
flat angles C4'-P-C4' energy: -26.316
flat angles P-C4'-P energy: -17.368
tors. eta vs tors. theta energy: -30.573
Dist. restrs. and SS energy: 1.051 (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: 373
Temperature: 1.050000
Total energy: -337.393184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.393184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.102814 (E_RNA)
where:
Base-Base interactions energy: -232.483
where: short stacking energy: -83.521
Base-Backbone interact. energy: -2.029
local terms energy: -104.590737
where:
bonds (distance) C4'-P energy: -21.801
bonds (distance) P-C4' energy: -22.213
flat angles C4'-P-C4' energy: -21.439
flat angles P-C4'-P energy: -17.743
tors. eta vs tors. theta energy: -21.395
Dist. restrs. and SS energy: 1.710 (S_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: 373
Temperature: 1.100000
Total energy: -312.710354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.710354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.529150 (E_RNA)
where:
Base-Base interactions energy: -211.764
where: short stacking energy: -98.090
Base-Backbone interact. energy: 0.437
local terms energy: -105.202315
where:
bonds (distance) C4'-P energy: -23.099
bonds (distance) P-C4' energy: -25.170
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -16.392
tors. eta vs tors. theta energy: -22.611
Dist. restrs. and SS energy: 3.819 (S_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: 373
Temperature: 1.150000
Total energy: -277.883803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.883803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.801244 (E_RNA)
where:
Base-Base interactions energy: -187.638
where: short stacking energy: -86.788
Base-Backbone interact. energy: -0.959
local terms energy: -96.204386
where:
bonds (distance) C4'-P energy: -20.628
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -23.417
flat angles P-C4'-P energy: -15.636
tors. eta vs tors. theta energy: -22.288
Dist. restrs. and SS energy: 6.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -285.569333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.569333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.992049 (E_RNA)
where:
Base-Base interactions energy: -187.509
where: short stacking energy: -78.512
Base-Backbone interact. energy: -0.098
local terms energy: -98.385399
where:
bonds (distance) C4'-P energy: -24.188
bonds (distance) P-C4' energy: -20.052
flat angles C4'-P-C4' energy: -19.063
flat angles P-C4'-P energy: -15.063
tors. eta vs tors. theta energy: -20.019
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: 8, replica: 8
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -271.050666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.050666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.541631 (E_RNA)
where:
Base-Base interactions energy: -186.144
where: short stacking energy: -78.624
Base-Backbone interact. energy: -0.380
local terms energy: -85.016890
where:
bonds (distance) C4'-P energy: -20.567
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -23.447
Dist. restrs. and SS energy: 0.491 (S_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: 373
Temperature: 1.300000
Total energy: -231.905814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.905814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.723205 (E_RNA)
where:
Base-Base interactions energy: -156.357
where: short stacking energy: -64.789
Base-Backbone interact. energy: -0.100
local terms energy: -78.266758
where:
bonds (distance) C4'-P energy: -18.820
bonds (distance) P-C4' energy: -16.849
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -13.079
Dist. restrs. and SS energy: 2.817 (S_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: 373
Temperature: 1.350000
Total energy: -218.726888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.726888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.177590 (E_RNA)
where:
Base-Base interactions energy: -149.196
where: short stacking energy: -60.277
Base-Backbone interact. energy: -0.189
local terms energy: -73.792778
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -25.162
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -12.525
Dist. restrs. and SS energy: 4.451 (S_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: 374
Temperature: 0.900000
Total energy: -367.091705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.091705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.446418 (E_RNA)
where:
Base-Base interactions energy: -254.877
where: short stacking energy: -101.363
Base-Backbone interact. energy: -1.564
local terms energy: -112.005894
where:
bonds (distance) C4'-P energy: -18.727
bonds (distance) P-C4' energy: -23.275
flat angles C4'-P-C4' energy: -22.792
flat angles P-C4'-P energy: -17.174
tors. eta vs tors. theta energy: -30.039
Dist. restrs. and SS energy: 1.355 (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: 6
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -371.071833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.071833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.079099 (E_RNA)
where:
Base-Base interactions energy: -262.188
where: short stacking energy: -101.572
Base-Backbone interact. energy: -1.894
local terms energy: -107.997260
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -22.349
flat angles C4'-P-C4' energy: -21.229
flat angles P-C4'-P energy: -17.589
tors. eta vs tors. theta energy: -31.721
Dist. restrs. and SS energy: 1.007 (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: 1
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -354.313227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.313227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.900090 (E_RNA)
where:
Base-Base interactions energy: -245.586
where: short stacking energy: -94.842
Base-Backbone interact. energy: -1.085
local terms energy: -108.229071
where:
bonds (distance) C4'-P energy: -25.573
bonds (distance) P-C4' energy: -22.124
flat angles C4'-P-C4' energy: -19.749
flat angles P-C4'-P energy: -13.495
tors. eta vs tors. theta energy: -27.288
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: 9
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -347.768375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.768375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.047873 (E_RNA)
where:
Base-Base interactions energy: -243.349
where: short stacking energy: -98.988
Base-Backbone interact. energy: -0.937
local terms energy: -104.761642
where:
bonds (distance) C4'-P energy: -22.547
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -17.998
flat angles P-C4'-P energy: -17.501
tors. eta vs tors. theta energy: -30.311
Dist. restrs. and SS energy: 1.279 (S_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: 374
Temperature: 1.100000
Total energy: -298.027711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.027711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.949135 (E_RNA)
where:
Base-Base interactions energy: -214.321
where: short stacking energy: -86.198
Base-Backbone interact. energy: -0.227
local terms energy: -85.401083
where:
bonds (distance) C4'-P energy: -20.377
bonds (distance) P-C4' energy: -20.898
flat angles C4'-P-C4' energy: -22.573
flat angles P-C4'-P energy: -2.030
tors. eta vs tors. theta energy: -19.523
Dist. restrs. and SS energy: 1.921 (S_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: 374
Temperature: 1.150000
Total energy: -270.503395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.503395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.398956 (E_RNA)
where:
Base-Base interactions energy: -186.002
where: short stacking energy: -80.463
Base-Backbone interact. energy: -0.284
local terms energy: -89.113811
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -19.218
flat angles C4'-P-C4' energy: -20.204
flat angles P-C4'-P energy: -14.809
tors. eta vs tors. theta energy: -18.128
Dist. restrs. and SS energy: 4.896 (S_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: 374
Temperature: 1.200000
Total energy: -286.783051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.783051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.146809 (E_RNA)
where:
Base-Base interactions energy: -204.290
where: short stacking energy: -88.701
Base-Backbone interact. energy: -0.341
local terms energy: -84.515457
where:
bonds (distance) C4'-P energy: -19.719
bonds (distance) P-C4' energy: -20.274
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -17.377
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: 8, replica: 5
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -254.985172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.985172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.247437 (E_RNA)
where:
Base-Base interactions energy: -161.307
where: short stacking energy: -65.206
Base-Backbone interact. energy: -0.004
local terms energy: -93.936520
where:
bonds (distance) C4'-P energy: -22.628
bonds (distance) P-C4' energy: -24.328
flat angles C4'-P-C4' energy: -21.719
flat angles P-C4'-P energy: -13.835
tors. eta vs tors. theta energy: -11.425
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: 9, replica: 10
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -232.660514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.660514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.637319 (E_RNA)
where:
Base-Base interactions energy: -168.398
where: short stacking energy: -77.507
Base-Backbone interact. energy: 0.500
local terms energy: -67.739490
where:
bonds (distance) C4'-P energy: -9.481
bonds (distance) P-C4' energy: -20.232
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: -16.718
Dist. restrs. and SS energy: 2.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -217.490195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.490195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.115066 (E_RNA)
where:
Base-Base interactions energy: -147.857
where: short stacking energy: -58.824
Base-Backbone interact. energy: -0.587
local terms energy: -71.670756
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -21.548
flat angles C4'-P-C4' energy: -19.935
flat angles P-C4'-P energy: -3.905
tors. eta vs tors. theta energy: -10.829
Dist. restrs. and SS energy: 2.625 (S_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: 375
Temperature: 0.900000
Total energy: -368.087863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.087863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.298265 (E_RNA)
where:
Base-Base interactions energy: -247.770
where: short stacking energy: -106.644
Base-Backbone interact. energy: -0.691
local terms energy: -120.837991
where:
bonds (distance) C4'-P energy: -24.470
bonds (distance) P-C4' energy: -26.716
flat angles C4'-P-C4' energy: -20.330
flat angles P-C4'-P energy: -20.295
tors. eta vs tors. theta energy: -29.027
Dist. restrs. and SS energy: 1.210 (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: 1
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -357.470903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.470903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.584683 (E_RNA)
where:
Base-Base interactions energy: -255.613
where: short stacking energy: -95.835
Base-Backbone interact. energy: -0.064
local terms energy: -101.908188
where:
bonds (distance) C4'-P energy: -19.300
bonds (distance) P-C4' energy: -23.978
flat angles C4'-P-C4' energy: -19.708
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -27.215
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: 6
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -357.796815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.796815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.818250 (E_RNA)
where:
Base-Base interactions energy: -239.279
where: short stacking energy: -97.310
Base-Backbone interact. energy: -1.472
local terms energy: -118.067711
where:
bonds (distance) C4'-P energy: -20.588
bonds (distance) P-C4' energy: -27.144
flat angles C4'-P-C4' energy: -23.471
flat angles P-C4'-P energy: -16.960
tors. eta vs tors. theta energy: -29.905
Dist. restrs. and SS energy: 1.021 (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: 9
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -366.045089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.045089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.932889 (E_RNA)
where:
Base-Base interactions energy: -260.936
where: short stacking energy: -89.134
Base-Backbone interact. energy: -0.763
local terms energy: -106.234751
where:
bonds (distance) C4'-P energy: -19.339
bonds (distance) P-C4' energy: -24.775
flat angles C4'-P-C4' energy: -22.138
flat angles P-C4'-P energy: -16.509
tors. eta vs tors. theta energy: -23.474
Dist. restrs. and SS energy: 1.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -301.583129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.583129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.301922 (E_RNA)
where:
Base-Base interactions energy: -211.320
where: short stacking energy: -89.367
Base-Backbone interact. energy: -0.290
local terms energy: -92.691197
where:
bonds (distance) C4'-P energy: -19.129
bonds (distance) P-C4' energy: -21.648
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -23.115
Dist. restrs. and SS energy: 2.719 (S_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: 375
Temperature: 1.150000
Total energy: -272.843213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.843213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.768275 (E_RNA)
where:
Base-Base interactions energy: -177.897
where: short stacking energy: -83.907
Base-Backbone interact. energy: 0.487
local terms energy: -100.359240
where:
bonds (distance) C4'-P energy: -20.251
bonds (distance) P-C4' energy: -24.597
flat angles C4'-P-C4' energy: -19.236
flat angles P-C4'-P energy: -15.419
tors. eta vs tors. theta energy: -20.856
Dist. restrs. and SS energy: 4.925 (S_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: 375
Temperature: 1.200000
Total energy: -272.425746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.425746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.668226 (E_RNA)
where:
Base-Base interactions energy: -173.342
where: short stacking energy: -71.289
Base-Backbone interact. energy: -0.826
local terms energy: -99.499745
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -23.474
flat angles C4'-P-C4' energy: -21.269
flat angles P-C4'-P energy: -15.445
tors. eta vs tors. theta energy: -23.130
Dist. restrs. and SS energy: 1.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -281.151130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.151130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.506420 (E_RNA)
where:
Base-Base interactions energy: -188.887
where: short stacking energy: -85.644
Base-Backbone interact. energy: -0.420
local terms energy: -92.199378
where:
bonds (distance) C4'-P energy: -17.653
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -18.304
tors. eta vs tors. theta energy: -21.941
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: 9, replica: 5
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -257.542018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.542018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.057873 (E_RNA)
where:
Base-Base interactions energy: -175.637
where: short stacking energy: -66.552
Base-Backbone interact. energy: -0.527
local terms energy: -81.893364
where:
bonds (distance) C4'-P energy: -19.722
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -18.944
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -13.476
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: 10, replica: 4
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -240.115409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.115409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.641399 (E_RNA)
where:
Base-Base interactions energy: -185.848
where: short stacking energy: -70.476
Base-Backbone interact. energy: 1.672
local terms energy: -58.465805
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -3.045
tors. eta vs tors. theta energy: -9.440
Dist. restrs. and SS energy: 2.526 (S_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: 376
Temperature: 0.900000
Total energy: -367.143989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.143989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.207986 (E_RNA)
where:
Base-Base interactions energy: -250.432
where: short stacking energy: -89.847
Base-Backbone interact. energy: -0.697
local terms energy: -116.078983
where:
bonds (distance) C4'-P energy: -24.694
bonds (distance) P-C4' energy: -25.096
flat angles C4'-P-C4' energy: -22.265
flat angles P-C4'-P energy: -15.616
tors. eta vs tors. theta energy: -28.407
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: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -363.570755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.570755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.422148 (E_RNA)
where:
Base-Base interactions energy: -256.954
where: short stacking energy: -91.341
Base-Backbone interact. energy: -0.252
local terms energy: -108.216950
where:
bonds (distance) C4'-P energy: -20.599
bonds (distance) P-C4' energy: -18.639
flat angles C4'-P-C4' energy: -22.859
flat angles P-C4'-P energy: -18.173
tors. eta vs tors. theta energy: -27.946
Dist. restrs. and SS energy: 1.851 (S_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: 376
Temperature: 1.000000
Total energy: -351.684874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.684874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.186031 (E_RNA)
where:
Base-Base interactions energy: -244.324
where: short stacking energy: -96.475
Base-Backbone interact. energy: -0.953
local terms energy: -107.908629
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -26.079
flat angles C4'-P-C4' energy: -20.357
flat angles P-C4'-P energy: -17.804
tors. eta vs tors. theta energy: -28.597
Dist. restrs. and SS energy: 1.501 (S_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: 376
Temperature: 1.050000
Total energy: -346.432225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.432225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.531376 (E_RNA)
where:
Base-Base interactions energy: -248.621
where: short stacking energy: -99.737
Base-Backbone interact. energy: 1.817
local terms energy: -99.728009
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -20.248
flat angles C4'-P-C4' energy: -21.430
flat angles P-C4'-P energy: -17.024
tors. eta vs tors. theta energy: -26.856
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: 3
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -272.211509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.211509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.172430 (E_RNA)
where:
Base-Base interactions energy: -179.710
where: short stacking energy: -74.120
Base-Backbone interact. energy: 0.465
local terms energy: -93.926608
where:
bonds (distance) C4'-P energy: -19.318
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -21.726
flat angles P-C4'-P energy: -15.693
tors. eta vs tors. theta energy: -18.367
Dist. restrs. and SS energy: 0.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -288.019351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.019351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.372976 (E_RNA)
where:
Base-Base interactions energy: -191.277
where: short stacking energy: -75.160
Base-Backbone interact. energy: -1.291
local terms energy: -95.805402
where:
bonds (distance) C4'-P energy: -17.408
bonds (distance) P-C4' energy: -23.057
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -16.256
tors. eta vs tors. theta energy: -20.684
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: 7, replica: 8
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -247.917500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.917500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.506586 (E_RNA)
where:
Base-Base interactions energy: -158.236
where: short stacking energy: -65.000
Base-Backbone interact. energy: -0.657
local terms energy: -92.613410
where:
bonds (distance) C4'-P energy: -21.067
bonds (distance) P-C4' energy: -22.570
flat angles C4'-P-C4' energy: -21.641
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -15.637
Dist. restrs. and SS energy: 3.589 (S_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: 376
Temperature: 1.250000
Total energy: -270.738953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.738953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.396076 (E_RNA)
where:
Base-Base interactions energy: -177.981
where: short stacking energy: -69.732
Base-Backbone interact. energy: -0.403
local terms energy: -100.011861
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -23.925
flat angles C4'-P-C4' energy: -22.248
flat angles P-C4'-P energy: -14.768
tors. eta vs tors. theta energy: -23.213
Dist. restrs. and SS energy: 7.657 (S_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: -232.077041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.077041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.276780 (E_RNA)
where:
Base-Base interactions energy: -150.361
where: short stacking energy: -65.743
Base-Backbone interact. energy: 0.464
local terms energy: -83.378956
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -20.860
flat angles C4'-P-C4' energy: -17.995
flat angles P-C4'-P energy: -13.149
tors. eta vs tors. theta energy: -13.765
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: 10, replica: 5
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -220.364061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.364061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.806936 (E_RNA)
where:
Base-Base interactions energy: -146.022
where: short stacking energy: -54.601
Base-Backbone interact. energy: -0.576
local terms energy: -76.208857
where:
bonds (distance) C4'-P energy: -22.984
bonds (distance) P-C4' energy: -19.747
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -4.986
Dist. restrs. and SS energy: 2.443 (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: 1
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -366.662251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.662251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.736147 (E_RNA)
where:
Base-Base interactions energy: -256.359
where: short stacking energy: -98.866
Base-Backbone interact. energy: -0.428
local terms energy: -109.949811
where:
bonds (distance) C4'-P energy: -24.903
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -17.053
tors. eta vs tors. theta energy: -28.608
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: 377
Temperature: 0.950000
Total energy: -366.139403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.139403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.289200 (E_RNA)
where:
Base-Base interactions energy: -256.146
where: short stacking energy: -94.033
Base-Backbone interact. energy: -2.244
local terms energy: -108.899474
where:
bonds (distance) C4'-P energy: -20.306
bonds (distance) P-C4' energy: -24.094
flat angles C4'-P-C4' energy: -23.567
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -28.807
Dist. restrs. and SS energy: 1.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -352.687150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.687150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.116910 (E_RNA)
where:
Base-Base interactions energy: -246.677
where: short stacking energy: -99.640
Base-Backbone interact. energy: -1.960
local terms energy: -105.480638
where:
bonds (distance) C4'-P energy: -25.195
bonds (distance) P-C4' energy: -20.619
flat angles C4'-P-C4' energy: -19.315
flat angles P-C4'-P energy: -15.096
tors. eta vs tors. theta energy: -25.255
Dist. restrs. and SS energy: 1.430 (S_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: 377
Temperature: 1.050000
Total energy: -334.761896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.761896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.873584 (E_RNA)
where:
Base-Base interactions energy: -245.486
where: short stacking energy: -90.344
Base-Backbone interact. energy: -0.599
local terms energy: -88.787816
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -10.305
flat angles C4'-P-C4' energy: -22.735
flat angles P-C4'-P energy: -14.767
tors. eta vs tors. theta energy: -22.635
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: 3
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -283.861642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.861642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.432263 (E_RNA)
where:
Base-Base interactions energy: -188.359
where: short stacking energy: -81.617
Base-Backbone interact. energy: 0.247
local terms energy: -97.320057
where:
bonds (distance) C4'-P energy: -20.000
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -23.302
flat angles P-C4'-P energy: -17.045
tors. eta vs tors. theta energy: -20.552
Dist. restrs. and SS energy: 1.571 (S_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: 377
Temperature: 1.150000
Total energy: -284.675692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.675692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.102018 (E_RNA)
where:
Base-Base interactions energy: -184.251
where: short stacking energy: -73.756
Base-Backbone interact. energy: -1.027
local terms energy: -100.823675
where:
bonds (distance) C4'-P energy: -24.078
bonds (distance) P-C4' energy: -21.325
flat angles C4'-P-C4' energy: -21.504
flat angles P-C4'-P energy: -14.562
tors. eta vs tors. theta energy: -19.355
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: 377
Temperature: 1.200000
Total energy: -280.264165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.264165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.021006 (E_RNA)
where:
Base-Base interactions energy: -190.444
where: short stacking energy: -85.361
Base-Backbone interact. energy: -0.310
local terms energy: -91.267023
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -22.139
flat angles C4'-P-C4' energy: -19.483
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: -19.600
Dist. restrs. and SS energy: 1.757 (S_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: 377
Temperature: 1.250000
Total energy: -268.280237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.280237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.935928 (E_RNA)
where:
Base-Base interactions energy: -185.791
where: short stacking energy: -75.666
Base-Backbone interact. energy: -0.291
local terms energy: -82.854325
where:
bonds (distance) C4'-P energy: -19.321
bonds (distance) P-C4' energy: -21.017
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -13.916
tors. eta vs tors. theta energy: -15.737
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: 9, replica: 4
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -241.267706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.267706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.803553 (E_RNA)
where:
Base-Base interactions energy: -150.039
where: short stacking energy: -68.847
Base-Backbone interact. energy: -1.044
local terms energy: -94.720494
where:
bonds (distance) C4'-P energy: -22.436
bonds (distance) P-C4' energy: -16.503
flat angles C4'-P-C4' energy: -23.949
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -18.740
Dist. restrs. and SS energy: 4.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -201.617842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.617842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.207887 (E_RNA)
where:
Base-Base interactions energy: -130.310
where: short stacking energy: -48.261
Base-Backbone interact. energy: 0.971
local terms energy: -72.868088
where:
bonds (distance) C4'-P energy: -21.117
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -17.493
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -9.499
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: 1, replica: 6
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -373.219807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.219807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.608450 (E_RNA)
where:
Base-Base interactions energy: -266.004
where: short stacking energy: -100.273
Base-Backbone interact. energy: -0.555
local terms energy: -108.050064
where:
bonds (distance) C4'-P energy: -19.252
bonds (distance) P-C4' energy: -24.965
flat angles C4'-P-C4' energy: -20.281
flat angles P-C4'-P energy: -17.180
tors. eta vs tors. theta energy: -26.372
Dist. restrs. and SS energy: 1.389 (S_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: 378
Temperature: 0.950000
Total energy: -361.446220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.446220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.698545 (E_RNA)
where:
Base-Base interactions energy: -248.495
where: short stacking energy: -90.512
Base-Backbone interact. energy: -0.363
local terms energy: -113.840029
where:
bonds (distance) C4'-P energy: -22.031
bonds (distance) P-C4' energy: -23.312
flat angles C4'-P-C4' energy: -27.623
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -28.618
Dist. restrs. and SS energy: 1.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -354.946790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.946790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.287466 (E_RNA)
where:
Base-Base interactions energy: -253.459
where: short stacking energy: -86.306
Base-Backbone interact. energy: -0.288
local terms energy: -102.540242
where:
bonds (distance) C4'-P energy: -21.726
bonds (distance) P-C4' energy: -19.688
flat angles C4'-P-C4' energy: -22.531
flat angles P-C4'-P energy: -16.768
tors. eta vs tors. theta energy: -21.827
Dist. restrs. and SS energy: 1.341 (S_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: 378
Temperature: 1.050000
Total energy: -332.552946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.552946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.071244 (E_RNA)
where:
Base-Base interactions energy: -233.202
where: short stacking energy: -88.189
Base-Backbone interact. energy: 0.820
local terms energy: -100.688730
where:
bonds (distance) C4'-P energy: -19.975
bonds (distance) P-C4' energy: -19.112
flat angles C4'-P-C4' energy: -22.281
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -27.422
Dist. restrs. and SS energy: 0.518 (S_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: 378
Temperature: 1.100000
Total energy: -264.237239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.237239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.941714 (E_RNA)
where:
Base-Base interactions energy: -173.534
where: short stacking energy: -74.300
Base-Backbone interact. energy: -0.686
local terms energy: -90.721570
where:
bonds (distance) C4'-P energy: -21.385
bonds (distance) P-C4' energy: -21.670
flat angles C4'-P-C4' energy: -23.611
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -14.843
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: 6, replica: 7
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -262.836758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.836758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.145338 (E_RNA)
where:
Base-Base interactions energy: -175.200
where: short stacking energy: -65.172
Base-Backbone interact. energy: -0.314
local terms energy: -87.630989
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -19.254
flat angles C4'-P-C4' energy: -24.580
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -13.676
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: 7, replica: 8
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -267.603287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.603287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.223813 (E_RNA)
where:
Base-Base interactions energy: -179.573
where: short stacking energy: -68.364
Base-Backbone interact. energy: 0.961
local terms energy: -93.611801
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -24.219
flat angles C4'-P-C4' energy: -21.722
flat angles P-C4'-P energy: -16.254
tors. eta vs tors. theta energy: -15.135
Dist. restrs. and SS energy: 4.621 (S_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: 378
Temperature: 1.250000
Total energy: -265.985324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.985324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.075875 (E_RNA)
where:
Base-Base interactions energy: -192.045
where: short stacking energy: -81.200
Base-Backbone interact. energy: 1.506
local terms energy: -77.536418
where:
bonds (distance) C4'-P energy: -10.595
bonds (distance) P-C4' energy: -17.472
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -22.397
Dist. restrs. and SS energy: 2.091 (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: 4
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -252.876828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.876828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.811772 (E_RNA)
where:
Base-Base interactions energy: -174.461
where: short stacking energy: -83.311
Base-Backbone interact. energy: 1.152
local terms energy: -86.502611
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -19.976
flat angles C4'-P-C4' energy: -21.216
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -18.633
Dist. restrs. and SS energy: 6.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -204.526116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.526116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.577305 (E_RNA)
where:
Base-Base interactions energy: -134.760
where: short stacking energy: -62.456
Base-Backbone interact. energy: -0.162
local terms energy: -78.654749
where:
bonds (distance) C4'-P energy: -18.618
bonds (distance) P-C4' energy: -23.587
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -11.831
Dist. restrs. and SS energy: 9.051 (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: 6
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -359.694008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.694008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.889011 (E_RNA)
where:
Base-Base interactions energy: -246.304
where: short stacking energy: -93.467
Base-Backbone interact. energy: -1.731
local terms energy: -112.853490
where:
bonds (distance) C4'-P energy: -23.990
bonds (distance) P-C4' energy: -23.809
flat angles C4'-P-C4' energy: -21.947
flat angles P-C4'-P energy: -17.059
tors. eta vs tors. theta energy: -26.049
Dist. restrs. and SS energy: 1.195 (S_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: 379
Temperature: 0.950000
Total energy: -364.614037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.614037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.935692 (E_RNA)
where:
Base-Base interactions energy: -256.943
where: short stacking energy: -92.562
Base-Backbone interact. energy: 1.108
local terms energy: -110.101403
where:
bonds (distance) C4'-P energy: -24.438
bonds (distance) P-C4' energy: -22.855
flat angles C4'-P-C4' energy: -22.254
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -26.729
Dist. restrs. and SS energy: 1.322 (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: 2
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -356.489159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.489159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.751385 (E_RNA)
where:
Base-Base interactions energy: -249.951
where: short stacking energy: -100.464
Base-Backbone interact. energy: -1.026
local terms energy: -106.773835
where:
bonds (distance) C4'-P energy: -20.303
bonds (distance) P-C4' energy: -17.042
flat angles C4'-P-C4' energy: -23.263
flat angles P-C4'-P energy: -18.419
tors. eta vs tors. theta energy: -27.747
Dist. restrs. and SS energy: 1.262 (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: 9
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -338.934364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.934364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.534991 (E_RNA)
where:
Base-Base interactions energy: -246.029
where: short stacking energy: -99.208
Base-Backbone interact. energy: -0.464
local terms energy: -93.041665
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -17.353
flat angles C4'-P-C4' energy: -20.395
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -26.509
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: 5, replica: 3
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -270.145160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.145160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.845586 (E_RNA)
where:
Base-Base interactions energy: -179.514
where: short stacking energy: -71.593
Base-Backbone interact. energy: -0.607
local terms energy: -95.724707
where:
bonds (distance) C4'-P energy: -24.778
bonds (distance) P-C4' energy: -22.279
flat angles C4'-P-C4' energy: -18.853
flat angles P-C4'-P energy: -13.725
tors. eta vs tors. theta energy: -16.089
Dist. restrs. and SS energy: 5.700 (S_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: 379
Temperature: 1.150000
Total energy: -282.481909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.481909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.626579 (E_RNA)
where:
Base-Base interactions energy: -195.307
where: short stacking energy: -74.331
Base-Backbone interact. energy: 0.909
local terms energy: -89.228147
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -21.168
flat angles C4'-P-C4' energy: -19.104
flat angles P-C4'-P energy: -17.714
tors. eta vs tors. theta energy: -17.028
Dist. restrs. and SS energy: 1.145 (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: 379
Temperature: 1.200000
Total energy: -246.991329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.991329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.617150 (E_RNA)
where:
Base-Base interactions energy: -167.429
where: short stacking energy: -61.596
Base-Backbone interact. energy: -0.366
local terms energy: -82.821958
where:
bonds (distance) C4'-P energy: -27.570
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -22.515
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -7.001
Dist. restrs. and SS energy: 3.626 (S_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: 379
Temperature: 1.250000
Total energy: -293.975183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.975183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.803147 (E_RNA)
where:
Base-Base interactions energy: -198.838
where: short stacking energy: -87.306
Base-Backbone interact. energy: -0.474
local terms energy: -95.491475
where:
bonds (distance) C4'-P energy: -22.362
bonds (distance) P-C4' energy: -21.064
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -17.339
tors. eta vs tors. theta energy: -19.192
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: 9, replica: 10
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -238.428975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.428975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.830021 (E_RNA)
where:
Base-Base interactions energy: -147.046
where: short stacking energy: -55.237
Base-Backbone interact. energy: 0.254
local terms energy: -94.037606
where:
bonds (distance) C4'-P energy: -22.215
bonds (distance) P-C4' energy: -21.337
flat angles C4'-P-C4' energy: -18.727
flat angles P-C4'-P energy: -16.941
tors. eta vs tors. theta energy: -14.817
Dist. restrs. and SS energy: 2.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -193.374860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.374860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.544903 (E_RNA)
where:
Base-Base interactions energy: -125.303
where: short stacking energy: -51.012
Base-Backbone interact. energy: 0.698
local terms energy: -69.940558
where:
bonds (distance) C4'-P energy: -21.912
bonds (distance) P-C4' energy: -22.407
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -2.986
Dist. restrs. and SS energy: 1.170 (S_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: 380
Temperature: 0.900000
Total energy: -360.321503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.321503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.290400 (E_RNA)
where:
Base-Base interactions energy: -245.619
where: short stacking energy: -90.052
Base-Backbone interact. energy: -0.745
local terms energy: -114.926490
where:
bonds (distance) C4'-P energy: -19.115
bonds (distance) P-C4' energy: -24.111
flat angles C4'-P-C4' energy: -27.295
flat angles P-C4'-P energy: -14.888
tors. eta vs tors. theta energy: -29.518
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: 2, replica: 1
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -360.832557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.832557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.253049 (E_RNA)
where:
Base-Base interactions energy: -249.416
where: short stacking energy: -91.334
Base-Backbone interact. energy: -0.723
local terms energy: -112.113172
where:
bonds (distance) C4'-P energy: -23.881
bonds (distance) P-C4' energy: -21.569
flat angles C4'-P-C4' energy: -25.728
flat angles P-C4'-P energy: -15.134
tors. eta vs tors. theta energy: -25.801
Dist. restrs. and SS energy: 1.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -361.115671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.115671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.442262 (E_RNA)
where:
Base-Base interactions energy: -252.896
where: short stacking energy: -89.518
Base-Backbone interact. energy: -1.144
local terms energy: -108.402228
where:
bonds (distance) C4'-P energy: -23.757
bonds (distance) P-C4' energy: -23.475
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -16.577
tors. eta vs tors. theta energy: -27.696
Dist. restrs. and SS energy: 1.327 (S_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: 380
Temperature: 1.050000
Total energy: -354.662586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.662586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.788198 (E_RNA)
where:
Base-Base interactions energy: -255.075
where: short stacking energy: -94.033
Base-Backbone interact. energy: -0.533
local terms energy: -100.180690
where:
bonds (distance) C4'-P energy: -17.683
bonds (distance) P-C4' energy: -22.558
flat angles C4'-P-C4' energy: -19.606
flat angles P-C4'-P energy: -14.527
tors. eta vs tors. theta energy: -25.807
Dist. restrs. and SS energy: 1.126 (S_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: 380
Temperature: 1.100000
Total energy: -298.296728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.296728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.359018 (E_RNA)
where:
Base-Base interactions energy: -199.496
where: short stacking energy: -70.012
Base-Backbone interact. energy: -0.017
local terms energy: -98.846052
where:
bonds (distance) C4'-P energy: -21.721
bonds (distance) P-C4' energy: -25.349
flat angles C4'-P-C4' energy: -23.149
flat angles P-C4'-P energy: -16.781
tors. eta vs tors. theta energy: -11.846
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: 3
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -259.006309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.006309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.063518 (E_RNA)
where:
Base-Base interactions energy: -173.079
where: short stacking energy: -78.484
Base-Backbone interact. energy: -0.436
local terms energy: -94.548700
where:
bonds (distance) C4'-P energy: -18.891
bonds (distance) P-C4' energy: -21.972
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -20.064
tors. eta vs tors. theta energy: -17.042
Dist. restrs. and SS energy: 9.057 (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: 4
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -292.483008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.483008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.811550 (E_RNA)
where:
Base-Base interactions energy: -189.219
where: short stacking energy: -86.048
Base-Backbone interact. energy: -0.285
local terms energy: -105.307986
where:
bonds (distance) C4'-P energy: -24.996
bonds (distance) P-C4' energy: -21.054
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -16.997
tors. eta vs tors. theta energy: -25.497
Dist. restrs. and SS energy: 2.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -242.640686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.640686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.302517 (E_RNA)
where:
Base-Base interactions energy: -163.251
where: short stacking energy: -60.020
Base-Backbone interact. energy: -0.820
local terms energy: -81.231499
where:
bonds (distance) C4'-P energy: -9.452
bonds (distance) P-C4' energy: -20.658
flat angles C4'-P-C4' energy: -21.827
flat angles P-C4'-P energy: -15.010
tors. eta vs tors. theta energy: -14.285
Dist. restrs. and SS energy: 2.662 (S_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: 380
Temperature: 1.300000
Total energy: -201.198316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.198316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.619449 (E_RNA)
where:
Base-Base interactions energy: -133.861
where: short stacking energy: -48.323
Base-Backbone interact. energy: -0.661
local terms energy: -69.097920
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -25.378
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -1.027
Dist. restrs. and SS energy: 2.421 (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: 10
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -228.900649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.900649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.157861 (E_RNA)
where:
Base-Base interactions energy: -147.421
where: short stacking energy: -64.017
Base-Backbone interact. energy: -0.464
local terms energy: -87.272714
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -23.610
flat angles C4'-P-C4' energy: -20.593
flat angles P-C4'-P energy: -15.383
tors. eta vs tors. theta energy: -9.732
Dist. restrs. and SS energy: 6.257 (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: 6
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -368.323538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.323538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.489234 (E_RNA)
where:
Base-Base interactions energy: -254.503
where: short stacking energy: -94.021
Base-Backbone interact. energy: 0.940
local terms energy: -115.926403
where:
bonds (distance) C4'-P energy: -22.699
bonds (distance) P-C4' energy: -19.593
flat angles C4'-P-C4' energy: -27.779
flat angles P-C4'-P energy: -14.737
tors. eta vs tors. theta energy: -31.119
Dist. restrs. and SS energy: 1.166 (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: 1
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -355.931435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.931435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.071816 (E_RNA)
where:
Base-Base interactions energy: -255.507
where: short stacking energy: -100.829
Base-Backbone interact. energy: -1.216
local terms energy: -100.348860
where:
bonds (distance) C4'-P energy: -25.269
bonds (distance) P-C4' energy: -18.328
flat angles C4'-P-C4' energy: -17.764
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -25.882
Dist. restrs. and SS energy: 1.140 (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: 9
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -356.929827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.929827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.304752 (E_RNA)
where:
Base-Base interactions energy: -251.811
where: short stacking energy: -96.322
Base-Backbone interact. energy: -1.746
local terms energy: -104.747581
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -25.604
flat angles C4'-P-C4' energy: -22.593
flat angles P-C4'-P energy: -13.754
tors. eta vs tors. theta energy: -24.167
Dist. restrs. and SS energy: 1.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -335.370881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.370881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.920806 (E_RNA)
where:
Base-Base interactions energy: -239.221
where: short stacking energy: -95.041
Base-Backbone interact. energy: -1.007
local terms energy: -95.692917
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -21.301
flat angles C4'-P-C4' energy: -22.767
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -25.171
Dist. restrs. and SS energy: 0.550 (S_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: 381
Temperature: 1.100000
Total energy: -290.046487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.046487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.060826 (E_RNA)
where:
Base-Base interactions energy: -187.741
where: short stacking energy: -76.479
Base-Backbone interact. energy: -0.101
local terms energy: -102.219351
where:
bonds (distance) C4'-P energy: -21.804
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -23.317
flat angles P-C4'-P energy: -13.863
tors. eta vs tors. theta energy: -23.196
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: 381
Temperature: 1.150000
Total energy: -279.835360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.835360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.397637 (E_RNA)
where:
Base-Base interactions energy: -202.047
where: short stacking energy: -77.753
Base-Backbone interact. energy: 1.504
local terms energy: -80.854552
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -22.269
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -18.943
Dist. restrs. and SS energy: 1.562 (S_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: 381
Temperature: 1.200000
Total energy: -259.552365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.552365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.408575 (E_RNA)
where:
Base-Base interactions energy: -174.289
where: short stacking energy: -84.978
Base-Backbone interact. energy: -0.310
local terms energy: -86.809749
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -15.757
flat angles C4'-P-C4' energy: -23.612
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -19.854
Dist. restrs. and SS energy: 1.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -240.487255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.487255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.213911 (E_RNA)
where:
Base-Base interactions energy: -165.297
where: short stacking energy: -66.906
Base-Backbone interact. energy: 0.617
local terms energy: -79.533641
where:
bonds (distance) C4'-P energy: -16.984
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -21.970
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -12.466
Dist. restrs. and SS energy: 3.727 (S_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: 381
Temperature: 1.300000
Total energy: -229.941841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.941841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.691677 (E_RNA)
where:
Base-Base interactions energy: -152.842
where: short stacking energy: -61.195
Base-Backbone interact. energy: -0.500
local terms energy: -78.349242
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -20.953
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -8.726
Dist. restrs. and SS energy: 1.750 (S_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: 381
Temperature: 1.350000
Total energy: -229.234817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.234817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.522219 (E_RNA)
where:
Base-Base interactions energy: -134.915
where: short stacking energy: -54.962
Base-Backbone interact. energy: -0.646
local terms energy: -95.961255
where:
bonds (distance) C4'-P energy: -17.304
bonds (distance) P-C4' energy: -22.472
flat angles C4'-P-C4' energy: -22.665
flat angles P-C4'-P energy: -19.858
tors. eta vs tors. theta energy: -13.662
Dist. restrs. and SS energy: 2.287 (S_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: 382
Temperature: 0.900000
Total energy: -339.020973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.020973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.593563 (E_RNA)
where:
Base-Base interactions energy: -236.256
where: short stacking energy: -94.497
Base-Backbone interact. energy: -1.350
local terms energy: -102.987906
where:
bonds (distance) C4'-P energy: -24.568
bonds (distance) P-C4' energy: -20.156
flat angles C4'-P-C4' energy: -22.806
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -26.381
Dist. restrs. and SS energy: 1.573 (S_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: 382
Temperature: 0.950000
Total energy: -349.647803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.647803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.498209 (E_RNA)
where:
Base-Base interactions energy: -240.308
where: short stacking energy: -90.129
Base-Backbone interact. energy: -0.451
local terms energy: -110.740077
where:
bonds (distance) C4'-P energy: -25.042
bonds (distance) P-C4' energy: -20.428
flat angles C4'-P-C4' energy: -25.874
flat angles P-C4'-P energy: -13.612
tors. eta vs tors. theta energy: -25.785
Dist. restrs. and SS energy: 1.850 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -355.109639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.109639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.386024 (E_RNA)
where:
Base-Base interactions energy: -246.863
where: short stacking energy: -100.992
Base-Backbone interact. energy: -1.666
local terms energy: -106.856801
where:
bonds (distance) C4'-P energy: -24.052
bonds (distance) P-C4' energy: -20.276
flat angles C4'-P-C4' energy: -22.826
flat angles P-C4'-P energy: -14.847
tors. eta vs tors. theta energy: -24.856
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: 4, replica: 2
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -335.106751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.106751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.724097 (E_RNA)
where:
Base-Base interactions energy: -226.770
where: short stacking energy: -83.930
Base-Backbone interact. energy: -0.419
local terms energy: -108.535059
where:
bonds (distance) C4'-P energy: -21.097
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -26.974
flat angles P-C4'-P energy: -16.817
tors. eta vs tors. theta energy: -26.662
Dist. restrs. and SS energy: 0.617 (S_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: 382
Temperature: 1.100000
Total energy: -316.568972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.568972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.984880 (E_RNA)
where:
Base-Base interactions energy: -223.027
where: short stacking energy: -81.812
Base-Backbone interact. energy: -0.259
local terms energy: -93.698070
where:
bonds (distance) C4'-P energy: -18.555
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -22.411
flat angles P-C4'-P energy: -17.138
tors. eta vs tors. theta energy: -15.170
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: 6, replica: 8
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -276.836632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.836632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.397062 (E_RNA)
where:
Base-Base interactions energy: -179.436
where: short stacking energy: -65.409
Base-Backbone interact. energy: -0.366
local terms energy: -97.595179
where:
bonds (distance) C4'-P energy: -17.276
bonds (distance) P-C4' energy: -23.638
flat angles C4'-P-C4' energy: -22.531
flat angles P-C4'-P energy: -16.000
tors. eta vs tors. theta energy: -18.151
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: 7, replica: 7
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -230.089429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.089429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.194630 (E_RNA)
where:
Base-Base interactions energy: -156.469
where: short stacking energy: -62.010
Base-Backbone interact. energy: 0.941
local terms energy: -74.666645
where:
bonds (distance) C4'-P energy: -18.919
bonds (distance) P-C4' energy: -19.668
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -9.000
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: 8, replica: 4
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -257.858934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.858934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.304842 (E_RNA)
where:
Base-Base interactions energy: -171.582
where: short stacking energy: -64.732
Base-Backbone interact. energy: -0.536
local terms energy: -88.186781
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -18.473
flat angles C4'-P-C4' energy: -21.973
flat angles P-C4'-P energy: -16.777
tors. eta vs tors. theta energy: -12.396
Dist. restrs. and SS energy: 2.446 (S_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: 382
Temperature: 1.300000
Total energy: -248.709298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.709298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.147604 (E_RNA)
where:
Base-Base interactions energy: -179.163
where: short stacking energy: -69.155
Base-Backbone interact. energy: 1.644
local terms energy: -72.629151
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -23.229
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -11.716
Dist. restrs. and SS energy: 1.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -228.933693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.933693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.275856 (E_RNA)
where:
Base-Base interactions energy: -148.229
where: short stacking energy: -63.307
Base-Backbone interact. energy: -0.480
local terms energy: -86.566585
where:
bonds (distance) C4'-P energy: -19.495
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -15.891
Dist. restrs. and SS energy: 6.342 (S_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: 383
Temperature: 0.900000
Total energy: -363.827658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.827658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.920683 (E_RNA)
where:
Base-Base interactions energy: -249.494
where: short stacking energy: -93.910
Base-Backbone interact. energy: -0.862
local terms energy: -114.564500
where:
bonds (distance) C4'-P energy: -23.200
bonds (distance) P-C4' energy: -21.503
flat angles C4'-P-C4' energy: -23.418
flat angles P-C4'-P energy: -19.021
tors. eta vs tors. theta energy: -27.423
Dist. restrs. and SS energy: 1.093 (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: 9
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -353.857895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.857895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.979554 (E_RNA)
where:
Base-Base interactions energy: -249.114
where: short stacking energy: -91.840
Base-Backbone interact. energy: -0.884
local terms energy: -103.981046
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -18.681
flat angles C4'-P-C4' energy: -20.657
flat angles P-C4'-P energy: -19.306
tors. eta vs tors. theta energy: -25.814
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: 6
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -346.294229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.294229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.281552 (E_RNA)
where:
Base-Base interactions energy: -236.963
where: short stacking energy: -91.851
Base-Backbone interact. energy: -1.023
local terms energy: -109.296333
where:
bonds (distance) C4'-P energy: -21.933
bonds (distance) P-C4' energy: -22.349
flat angles C4'-P-C4' energy: -27.313
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -24.563
Dist. restrs. and SS energy: 0.987 (S_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: 383
Temperature: 1.050000
Total energy: -315.869995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.869995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.610196 (E_RNA)
where:
Base-Base interactions energy: -205.466
where: short stacking energy: -88.597
Base-Backbone interact. energy: -0.137
local terms energy: -112.006920
where:
bonds (distance) C4'-P energy: -19.677
bonds (distance) P-C4' energy: -22.929
flat angles C4'-P-C4' energy: -26.808
flat angles P-C4'-P energy: -14.971
tors. eta vs tors. theta energy: -27.623
Dist. restrs. and SS energy: 1.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -351.862053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.862053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.603642 (E_RNA)
where:
Base-Base interactions energy: -240.504
where: short stacking energy: -101.407
Base-Backbone interact. energy: -1.001
local terms energy: -111.099378
where:
bonds (distance) C4'-P energy: -19.684
bonds (distance) P-C4' energy: -25.476
flat angles C4'-P-C4' energy: -23.968
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -29.563
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: 6, replica: 8
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -263.464909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.464909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.128792 (E_RNA)
where:
Base-Base interactions energy: -173.796
where: short stacking energy: -77.526
Base-Backbone interact. energy: 0.639
local terms energy: -92.971469
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -21.141
flat angles C4'-P-C4' energy: -19.227
flat angles P-C4'-P energy: -15.259
tors. eta vs tors. theta energy: -17.146
Dist. restrs. and SS energy: 2.664 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -259.369626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.369626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.511473 (E_RNA)
where:
Base-Base interactions energy: -171.584
where: short stacking energy: -75.096
Base-Backbone interact. energy: -0.987
local terms energy: -90.940415
where:
bonds (distance) C4'-P energy: -20.914
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -19.621
flat angles P-C4'-P energy: -14.172
tors. eta vs tors. theta energy: -18.978
Dist. restrs. and SS energy: 4.142 (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: 383
Temperature: 1.250000
Total energy: -237.191000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.191000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.781768 (E_RNA)
where:
Base-Base interactions energy: -149.568
where: short stacking energy: -55.095
Base-Backbone interact. energy: 1.447
local terms energy: -91.661389
where:
bonds (distance) C4'-P energy: -23.402
bonds (distance) P-C4' energy: -24.476
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -20.561
tors. eta vs tors. theta energy: -4.961
Dist. restrs. and SS energy: 2.591 (S_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: 383
Temperature: 1.300000
Total energy: -256.705138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.705138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.338195 (E_RNA)
where:
Base-Base interactions energy: -178.805
where: short stacking energy: -76.755
Base-Backbone interact. energy: -0.406
local terms energy: -82.128001
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -19.336
flat angles C4'-P-C4' energy: -19.973
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -18.538
Dist. restrs. and SS energy: 4.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -216.377864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.377864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.077252 (E_RNA)
where:
Base-Base interactions energy: -148.202
where: short stacking energy: -64.644
Base-Backbone interact. energy: -2.280
local terms energy: -69.595089
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -10.204
Dist. restrs. and SS energy: 3.699 (S_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: 384
Temperature: 0.900000
Total energy: -362.810319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.810319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.950339 (E_RNA)
where:
Base-Base interactions energy: -256.022
where: short stacking energy: -97.141
Base-Backbone interact. energy: -0.506
local terms energy: -106.422207
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -21.492
flat angles C4'-P-C4' energy: -25.194
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -30.128
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: 2, replica: 1
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -332.591843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.591843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.568632 (E_RNA)
where:
Base-Base interactions energy: -232.183
where: short stacking energy: -89.820
Base-Backbone interact. energy: -0.767
local terms energy: -100.618707
where:
bonds (distance) C4'-P energy: -22.243
bonds (distance) P-C4' energy: -20.528
flat angles C4'-P-C4' energy: -21.359
flat angles P-C4'-P energy: -14.508
tors. eta vs tors. theta energy: -21.981
Dist. restrs. and SS energy: 0.977 (S_DIST_RNA)
chem. 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: -333.717442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.717442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.868848 (E_RNA)
where:
Base-Base interactions energy: -229.982
where: short stacking energy: -96.917
Base-Backbone interact. energy: -0.335
local terms energy: -105.552632
where:
bonds (distance) C4'-P energy: -20.356
bonds (distance) P-C4' energy: -23.767
flat angles C4'-P-C4' energy: -26.182
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -22.604
Dist. restrs. and SS energy: 2.151 (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: 6
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -341.120868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.120868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.651387 (E_RNA)
where:
Base-Base interactions energy: -237.440
where: short stacking energy: -89.801
Base-Backbone interact. energy: -0.773
local terms energy: -103.438604
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -23.254
flat angles P-C4'-P energy: -14.973
tors. eta vs tors. theta energy: -30.650
Dist. restrs. and SS energy: 0.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -342.655350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.655350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.323480 (E_RNA)
where:
Base-Base interactions energy: -238.510
where: short stacking energy: -93.576
Base-Backbone interact. energy: -0.553
local terms energy: -105.261186
where:
bonds (distance) C4'-P energy: -16.361
bonds (distance) P-C4' energy: -22.419
flat angles C4'-P-C4' energy: -25.688
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -28.585
Dist. restrs. and SS energy: 1.668 (S_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: 384
Temperature: 1.150000
Total energy: -253.164787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.164787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.800587 (E_RNA)
where:
Base-Base interactions energy: -169.628
where: short stacking energy: -79.760
Base-Backbone interact. energy: -0.638
local terms energy: -86.534779
where:
bonds (distance) C4'-P energy: -19.640
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -18.088
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -18.080
Dist. restrs. and SS energy: 3.636 (S_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: 384
Temperature: 1.200000
Total energy: -234.172871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.172871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.142772 (E_RNA)
where:
Base-Base interactions energy: -155.157
where: short stacking energy: -72.571
Base-Backbone interact. energy: -0.903
local terms energy: -82.082982
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -22.394
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -15.003
tors. eta vs tors. theta energy: -12.839
Dist. restrs. and SS energy: 3.970 (S_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: 384
Temperature: 1.250000
Total energy: -260.595473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.595473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.056964 (E_RNA)
where:
Base-Base interactions energy: -181.995
where: short stacking energy: -72.928
Base-Backbone interact. energy: -0.137
local terms energy: -80.924815
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -21.846
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -18.107
Dist. restrs. and SS energy: 2.461 (S_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: 384
Temperature: 1.300000
Total energy: -230.423346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.423346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.004070 (E_RNA)
where:
Base-Base interactions energy: -148.592
where: short stacking energy: -49.239
Base-Backbone interact. energy: -0.377
local terms energy: -82.034638
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -23.803
flat angles C4'-P-C4' energy: -19.593
flat angles P-C4'-P energy: -14.762
tors. eta vs tors. theta energy: -10.246
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: 10, replica: 4
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -247.296106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.296106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.061917 (E_RNA)
where:
Base-Base interactions energy: -166.562
where: short stacking energy: -71.913
Base-Backbone interact. energy: -0.743
local terms energy: -81.756102
where:
bonds (distance) C4'-P energy: -20.191
bonds (distance) P-C4' energy: -19.888
flat angles C4'-P-C4' energy: -19.998
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -11.816
Dist. restrs. and SS energy: 1.766 (S_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: 385
Temperature: 0.900000
Total energy: -370.831928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.831928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.864429 (E_RNA)
where:
Base-Base interactions energy: -256.082
where: short stacking energy: -99.792
Base-Backbone interact. energy: -0.952
local terms energy: -113.830193
where:
bonds (distance) C4'-P energy: -22.622
bonds (distance) P-C4' energy: -23.341
flat angles C4'-P-C4' energy: -22.929
flat angles P-C4'-P energy: -19.496
tors. eta vs tors. theta energy: -25.443
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: 3
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -331.607921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.607921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.675066 (E_RNA)
where:
Base-Base interactions energy: -225.425
where: short stacking energy: -86.965
Base-Backbone interact. energy: -0.375
local terms energy: -106.875352
where:
bonds (distance) C4'-P energy: -21.560
bonds (distance) P-C4' energy: -25.751
flat angles C4'-P-C4' energy: -21.211
flat angles P-C4'-P energy: -15.384
tors. eta vs tors. theta energy: -22.970
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: 3, replica: 1
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -333.625781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.625781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.695335 (E_RNA)
where:
Base-Base interactions energy: -239.489
where: short stacking energy: -96.815
Base-Backbone interact. energy: -0.893
local terms energy: -93.312945
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -18.260
flat angles P-C4'-P energy: -13.038
tors. eta vs tors. theta energy: -25.890
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: 6
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -350.897653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.897653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.022550 (E_RNA)
where:
Base-Base interactions energy: -237.536
where: short stacking energy: -98.334
Base-Backbone interact. energy: 0.274
local terms energy: -114.760546
where:
bonds (distance) C4'-P energy: -24.918
bonds (distance) P-C4' energy: -18.224
flat angles C4'-P-C4' energy: -24.723
flat angles P-C4'-P energy: -14.057
tors. eta vs tors. theta energy: -32.839
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: 5, replica: 2
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -340.417930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.417930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.586797 (E_RNA)
where:
Base-Base interactions energy: -242.763
where: short stacking energy: -93.772
Base-Backbone interact. energy: -0.648
local terms energy: -98.175751
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -21.805
flat angles C4'-P-C4' energy: -21.834
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -27.003
Dist. restrs. and SS energy: 1.169 (S_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: 385
Temperature: 1.150000
Total energy: -272.325234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.325234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.370584 (E_RNA)
where:
Base-Base interactions energy: -180.778
where: short stacking energy: -74.613
Base-Backbone interact. energy: -0.365
local terms energy: -94.227701
where:
bonds (distance) C4'-P energy: -20.564
bonds (distance) P-C4' energy: -23.713
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -15.859
tors. eta vs tors. theta energy: -16.431
Dist. restrs. and SS energy: 3.045 (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: 10
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -258.599431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.599431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.069236 (E_RNA)
where:
Base-Base interactions energy: -171.859
where: short stacking energy: -78.494
Base-Backbone interact. energy: -0.418
local terms energy: -89.791500
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -22.913
flat angles P-C4'-P energy: -14.607
tors. eta vs tors. theta energy: -18.676
Dist. restrs. and SS energy: 3.470 (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: 385
Temperature: 1.250000
Total energy: -264.886776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.886776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.703220 (E_RNA)
where:
Base-Base interactions energy: -188.158
where: short stacking energy: -74.233
Base-Backbone interact. energy: 3.126
local terms energy: -81.670515
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -24.483
flat angles C4'-P-C4' energy: -23.523
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -11.909
Dist. restrs. and SS energy: 1.816 (S_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: 385
Temperature: 1.300000
Total energy: -197.753270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.753270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.972084 (E_RNA)
where:
Base-Base interactions energy: -127.099
where: short stacking energy: -43.569
Base-Backbone interact. energy: -0.725
local terms energy: -70.147890
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: -4.648
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: 10, replica: 4
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -245.390907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.390907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.800914 (E_RNA)
where:
Base-Base interactions energy: -175.827
where: short stacking energy: -73.947
Base-Backbone interact. energy: -1.578
local terms energy: -75.396068
where:
bonds (distance) C4'-P energy: -5.803
bonds (distance) P-C4' energy: -19.093
flat angles C4'-P-C4' energy: -22.436
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: -14.551
Dist. restrs. and SS energy: 7.410 (S_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: 386
Temperature: 0.900000
Total energy: -369.939269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.939269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.119717 (E_RNA)
where:
Base-Base interactions energy: -256.233
where: short stacking energy: -97.403
Base-Backbone interact. energy: -0.937
local terms energy: -112.949065
where:
bonds (distance) C4'-P energy: -23.693
bonds (distance) P-C4' energy: -24.427
flat angles C4'-P-C4' energy: -21.896
flat angles P-C4'-P energy: -16.007
tors. eta vs tors. theta energy: -26.926
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: 386
Temperature: 0.950000
Total energy: -339.031212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.031212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.756308 (E_RNA)
where:
Base-Base interactions energy: -230.504
where: short stacking energy: -89.969
Base-Backbone interact. energy: -2.146
local terms energy: -107.106064
where:
bonds (distance) C4'-P energy: -17.235
bonds (distance) P-C4' energy: -23.721
flat angles C4'-P-C4' energy: -23.965
flat angles P-C4'-P energy: -17.733
tors. eta vs tors. theta energy: -24.453
Dist. restrs. and SS energy: 0.725 (S_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: 386
Temperature: 1.000000
Total energy: -356.701830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.701830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.756242 (E_RNA)
where:
Base-Base interactions energy: -245.107
where: short stacking energy: -95.462
Base-Backbone interact. energy: -0.499
local terms energy: -112.150228
where:
bonds (distance) C4'-P energy: -19.043
bonds (distance) P-C4' energy: -26.678
flat angles C4'-P-C4' energy: -25.396
flat angles P-C4'-P energy: -14.394
tors. eta vs tors. theta energy: -26.640
Dist. restrs. and SS energy: 1.054 (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: 386
Temperature: 1.050000
Total energy: -333.169190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.169190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.338566 (E_RNA)
where:
Base-Base interactions energy: -242.344
where: short stacking energy: -86.823
Base-Backbone interact. energy: -0.927
local terms energy: -91.068210
where:
bonds (distance) C4'-P energy: -19.207
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -20.334
flat angles P-C4'-P energy: -14.559
tors. eta vs tors. theta energy: -17.927
Dist. restrs. and SS energy: 1.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -275.112442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.112442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.071076 (E_RNA)
where:
Base-Base interactions energy: -193.782
where: short stacking energy: -81.428
Base-Backbone interact. energy: -0.448
local terms energy: -85.841796
where:
bonds (distance) C4'-P energy: -22.076
bonds (distance) P-C4' energy: -22.130
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -15.424
Dist. restrs. and SS energy: 4.959 (S_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: 386
Temperature: 1.150000
Total energy: -323.175609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.175609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.473838 (E_RNA)
where:
Base-Base interactions energy: -234.791
where: short stacking energy: -94.853
Base-Backbone interact. energy: 0.429
local terms energy: -90.111545
where:
bonds (distance) C4'-P energy: -18.647
bonds (distance) P-C4' energy: -10.897
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -18.083
tors. eta vs tors. theta energy: -25.917
Dist. restrs. and SS energy: 1.298 (S_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: -267.153101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.153101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.103330 (E_RNA)
where:
Base-Base interactions energy: -172.086
where: short stacking energy: -72.363
Base-Backbone interact. energy: -0.187
local terms energy: -97.830115
where:
bonds (distance) C4'-P energy: -22.693
bonds (distance) P-C4' energy: -18.702
flat angles C4'-P-C4' energy: -22.129
flat angles P-C4'-P energy: -16.256
tors. eta vs tors. theta energy: -18.050
Dist. restrs. and SS energy: 2.950 (S_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: 386
Temperature: 1.250000
Total energy: -244.257628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.257628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.650341 (E_RNA)
where:
Base-Base interactions energy: -169.905
where: short stacking energy: -72.979
Base-Backbone interact. energy: 0.248
local terms energy: -78.993463
where:
bonds (distance) C4'-P energy: -20.742
bonds (distance) P-C4' energy: -23.601
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -5.229
tors. eta vs tors. theta energy: -11.953
Dist. restrs. and SS energy: 4.393 (S_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: 386
Temperature: 1.300000
Total energy: -252.095615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.095615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.986440 (E_RNA)
where:
Base-Base interactions energy: -165.217
where: short stacking energy: -62.009
Base-Backbone interact. energy: -0.571
local terms energy: -87.198533
where:
bonds (distance) C4'-P energy: -18.405
bonds (distance) P-C4' energy: -18.241
flat angles C4'-P-C4' energy: -19.568
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -17.270
Dist. restrs. and SS energy: 0.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -212.122378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.122378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.723002 (E_RNA)
where:
Base-Base interactions energy: -138.791
where: short stacking energy: -47.640
Base-Backbone interact. energy: -0.574
local terms energy: -73.358332
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -26.368
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -6.416
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: 1, replica: 9
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -365.876483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.876483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.465643 (E_RNA)
where:
Base-Base interactions energy: -252.201
where: short stacking energy: -102.940
Base-Backbone interact. energy: -1.769
local terms energy: -112.495896
where:
bonds (distance) C4'-P energy: -21.510
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -26.393
flat angles P-C4'-P energy: -16.520
tors. eta vs tors. theta energy: -28.937
Dist. restrs. and SS energy: 0.589 (S_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: 387
Temperature: 0.950000
Total energy: -360.601852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.601852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.758675 (E_RNA)
where:
Base-Base interactions energy: -253.234
where: short stacking energy: -100.234
Base-Backbone interact. energy: -1.995
local terms energy: -106.529032
where:
bonds (distance) C4'-P energy: -18.898
bonds (distance) P-C4' energy: -20.118
flat angles C4'-P-C4' energy: -19.984
flat angles P-C4'-P energy: -15.943
tors. eta vs tors. theta energy: -31.586
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: 3, replica: 3
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -331.857715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.857715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.086167 (E_RNA)
where:
Base-Base interactions energy: -220.544
where: short stacking energy: -78.678
Base-Backbone interact. energy: -2.636
local terms energy: -109.906456
where:
bonds (distance) C4'-P energy: -21.711
bonds (distance) P-C4' energy: -25.624
flat angles C4'-P-C4' energy: -27.117
flat angles P-C4'-P energy: -16.978
tors. eta vs tors. theta energy: -18.476
Dist. restrs. and SS energy: 1.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -330.615035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.615035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.889020 (E_RNA)
where:
Base-Base interactions energy: -233.791
where: short stacking energy: -93.479
Base-Backbone interact. energy: -0.625
local terms energy: -97.472612
where:
bonds (distance) C4'-P energy: -21.414
bonds (distance) P-C4' energy: -25.627
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -12.987
tors. eta vs tors. theta energy: -21.377
Dist. restrs. and SS energy: 1.274 (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: 8
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -293.528425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.528425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.850182 (E_RNA)
where:
Base-Base interactions energy: -203.423
where: short stacking energy: -83.922
Base-Backbone interact. energy: -0.068
local terms energy: -93.359038
where:
bonds (distance) C4'-P energy: -17.154
bonds (distance) P-C4' energy: -25.488
flat angles C4'-P-C4' energy: -19.408
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -20.163
Dist. restrs. and SS energy: 3.322 (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: 2
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -309.201229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.201229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.392927 (E_RNA)
where:
Base-Base interactions energy: -223.899
where: short stacking energy: -88.467
Base-Backbone interact. energy: 0.722
local terms energy: -87.216103
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -19.914
flat angles C4'-P-C4' energy: -18.503
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -21.628
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: 7, replica: 7
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -263.839604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.839604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.133195 (E_RNA)
where:
Base-Base interactions energy: -175.636
where: short stacking energy: -71.555
Base-Backbone interact. energy: -1.198
local terms energy: -94.299255
where:
bonds (distance) C4'-P energy: -19.177
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -21.160
flat angles P-C4'-P energy: -15.808
tors. eta vs tors. theta energy: -19.434
Dist. restrs. and SS energy: 7.294 (S_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: 387
Temperature: 1.250000
Total energy: -237.532207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.532207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.202261 (E_RNA)
where:
Base-Base interactions energy: -161.650
where: short stacking energy: -58.959
Base-Backbone interact. energy: -1.195
local terms energy: -76.357997
where:
bonds (distance) C4'-P energy: -19.278
bonds (distance) P-C4' energy: -20.139
flat angles C4'-P-C4' energy: -20.987
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -4.635
Dist. restrs. and SS energy: 1.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -220.108908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.108908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.212881 (E_RNA)
where:
Base-Base interactions energy: -147.367
where: short stacking energy: -65.004
Base-Backbone interact. energy: 1.385
local terms energy: -77.230102
where:
bonds (distance) C4'-P energy: -21.304
bonds (distance) P-C4' energy: -21.839
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -5.335
Dist. restrs. and SS energy: 3.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -227.306644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.306644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.372136 (E_RNA)
where:
Base-Base interactions energy: -153.862
where: short stacking energy: -59.593
Base-Backbone interact. energy: -0.452
local terms energy: -74.058167
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -21.678
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -8.124
Dist. restrs. and SS energy: 1.065 (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: 6
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -368.092484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.092484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.640902 (E_RNA)
where:
Base-Base interactions energy: -259.258
where: short stacking energy: -94.692
Base-Backbone interact. energy: -0.799
local terms energy: -108.584012
where:
bonds (distance) C4'-P energy: -17.279
bonds (distance) P-C4' energy: -24.929
flat angles C4'-P-C4' energy: -20.979
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -32.503
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: 2, replica: 9
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -359.722432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.722432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.245878 (E_RNA)
where:
Base-Base interactions energy: -250.407
where: short stacking energy: -106.323
Base-Backbone interact. energy: -1.363
local terms energy: -108.475995
where:
bonds (distance) C4'-P energy: -24.098
bonds (distance) P-C4' energy: -22.683
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -14.759
tors. eta vs tors. theta energy: -27.915
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: 3, replica: 3
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -340.950225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.950225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.727514 (E_RNA)
where:
Base-Base interactions energy: -234.823
where: short stacking energy: -94.447
Base-Backbone interact. energy: -1.071
local terms energy: -105.832905
where:
bonds (distance) C4'-P energy: -19.078
bonds (distance) P-C4' energy: -21.290
flat angles C4'-P-C4' energy: -23.086
flat angles P-C4'-P energy: -15.298
tors. eta vs tors. theta energy: -27.081
Dist. restrs. and SS energy: 0.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -321.720961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.720961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.720961 (E_RNA)
where:
Base-Base interactions energy: -225.565
where: short stacking energy: -76.918
Base-Backbone interact. energy: -0.245
local terms energy: -95.910923
where:
bonds (distance) C4'-P energy: -20.165
bonds (distance) P-C4' energy: -19.811
flat angles C4'-P-C4' energy: -22.573
flat angles P-C4'-P energy: -13.768
tors. eta vs tors. theta energy: -19.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -326.165502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.165502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.925131 (E_RNA)
where:
Base-Base interactions energy: -218.750
where: short stacking energy: -91.674
Base-Backbone interact. energy: -0.289
local terms energy: -107.885937
where:
bonds (distance) C4'-P energy: -22.181
bonds (distance) P-C4' energy: -20.755
flat angles C4'-P-C4' energy: -19.157
flat angles P-C4'-P energy: -16.932
tors. eta vs tors. theta energy: -28.860
Dist. restrs. and SS energy: 0.760 (S_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: 388
Temperature: 1.150000
Total energy: -297.809733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.809733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.883120 (E_RNA)
where:
Base-Base interactions energy: -202.168
where: short stacking energy: -81.138
Base-Backbone interact. energy: -0.458
local terms energy: -97.256834
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -22.630
flat angles C4'-P-C4' energy: -26.902
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -22.682
Dist. restrs. and SS energy: 2.073 (S_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: 388
Temperature: 1.200000
Total energy: -261.406065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.406065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.169425 (E_RNA)
where:
Base-Base interactions energy: -179.829
where: short stacking energy: -77.962
Base-Backbone interact. energy: -1.064
local terms energy: -83.276177
where:
bonds (distance) C4'-P energy: -17.752
bonds (distance) P-C4' energy: -18.660
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -16.782
Dist. restrs. and SS energy: 2.763 (S_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: 388
Temperature: 1.250000
Total energy: -244.311351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.311351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.569672 (E_RNA)
where:
Base-Base interactions energy: -170.040
where: short stacking energy: -60.793
Base-Backbone interact. energy: -2.172
local terms energy: -83.358116
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -23.379
flat angles C4'-P-C4' energy: -18.720
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -12.849
Dist. restrs. and SS energy: 11.258 (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: 388
Temperature: 1.300000
Total energy: -211.923323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.923323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.341842 (E_RNA)
where:
Base-Base interactions energy: -145.524
where: short stacking energy: -60.380
Base-Backbone interact. energy: -0.342
local terms energy: -73.475566
where:
bonds (distance) C4'-P energy: -19.398
bonds (distance) P-C4' energy: -18.297
flat angles C4'-P-C4' energy: -17.526
flat angles P-C4'-P energy: -14.156
tors. eta vs tors. theta energy: -4.099
Dist. restrs. and SS energy: 7.419 (S_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: 388
Temperature: 1.350000
Total energy: -213.968307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.968307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.613294 (E_RNA)
where:
Base-Base interactions energy: -147.786
where: short stacking energy: -61.662
Base-Backbone interact. energy: -0.519
local terms energy: -70.307642
where:
bonds (distance) C4'-P energy: -10.084
bonds (distance) P-C4' energy: -18.701
flat angles C4'-P-C4' energy: -18.957
flat angles P-C4'-P energy: -14.912
tors. eta vs tors. theta energy: -7.654
Dist. restrs. and SS energy: 4.645 (S_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: 389
Temperature: 0.900000
Total energy: -372.092797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.092797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.549880 (E_RNA)
where:
Base-Base interactions energy: -248.413
where: short stacking energy: -98.288
Base-Backbone interact. energy: -1.398
local terms energy: -122.739531
where:
bonds (distance) C4'-P energy: -25.162
bonds (distance) P-C4' energy: -25.480
flat angles C4'-P-C4' energy: -21.877
flat angles P-C4'-P energy: -20.180
tors. eta vs tors. theta energy: -30.041
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: 9
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -356.446831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.446831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.404732 (E_RNA)
where:
Base-Base interactions energy: -240.926
where: short stacking energy: -100.588
Base-Backbone interact. energy: -1.811
local terms energy: -114.668087
where:
bonds (distance) C4'-P energy: -19.725
bonds (distance) P-C4' energy: -23.808
flat angles C4'-P-C4' energy: -24.670
flat angles P-C4'-P energy: -17.425
tors. eta vs tors. theta energy: -29.041
Dist. restrs. and SS energy: 0.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -342.388960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.388960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.984076 (E_RNA)
where:
Base-Base interactions energy: -227.820
where: short stacking energy: -94.107
Base-Backbone interact. energy: -0.967
local terms energy: -115.196426
where:
bonds (distance) C4'-P energy: -22.480
bonds (distance) P-C4' energy: -26.076
flat angles C4'-P-C4' energy: -23.789
flat angles P-C4'-P energy: -18.725
tors. eta vs tors. theta energy: -24.126
Dist. restrs. and SS energy: 1.595 (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: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -349.508437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.508437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.629386 (E_RNA)
where:
Base-Base interactions energy: -246.735
where: short stacking energy: -101.632
Base-Backbone interact. energy: -1.946
local terms energy: -101.948481
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -20.679
flat angles C4'-P-C4' energy: -21.358
flat angles P-C4'-P energy: -15.465
tors. eta vs tors. theta energy: -28.763
Dist. restrs. and SS energy: 1.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -293.426206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.426206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.923460 (E_RNA)
where:
Base-Base interactions energy: -200.414
where: short stacking energy: -68.528
Base-Backbone interact. energy: -2.028
local terms energy: -91.481776
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -25.724
flat angles C4'-P-C4' energy: -22.678
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -17.343
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: 8
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -294.044607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.044607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.790015 (E_RNA)
where:
Base-Base interactions energy: -210.807
where: short stacking energy: -88.258
Base-Backbone interact. energy: 4.854
local terms energy: -92.837739
where:
bonds (distance) C4'-P energy: -19.543
bonds (distance) P-C4' energy: -19.900
flat angles C4'-P-C4' energy: -20.489
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -25.270
Dist. restrs. and SS energy: 4.745 (S_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: 389
Temperature: 1.200000
Total energy: -290.683322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.683322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.164875 (E_RNA)
where:
Base-Base interactions energy: -200.738
where: short stacking energy: -95.758
Base-Backbone interact. energy: -0.231
local terms energy: -97.196412
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -23.955
flat angles C4'-P-C4' energy: -22.922
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -26.762
Dist. restrs. and SS energy: 7.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -231.898690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.898690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.145403 (E_RNA)
where:
Base-Base interactions energy: -150.711
where: short stacking energy: -61.440
Base-Backbone interact. energy: -1.196
local terms energy: -81.238510
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -24.807
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -15.218
tors. eta vs tors. theta energy: -7.750
Dist. restrs. and SS energy: 1.247 (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: 4
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -228.733699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.733699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.017509 (E_RNA)
where:
Base-Base interactions energy: -150.848
where: short stacking energy: -53.275
Base-Backbone interact. energy: 0.986
local terms energy: -80.155784
where:
bonds (distance) C4'-P energy: -22.886
bonds (distance) P-C4' energy: -19.552
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -16.510
tors. eta vs tors. theta energy: -6.197
Dist. restrs. and SS energy: 1.284 (S_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: 389
Temperature: 1.350000
Total energy: -216.250014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.250014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.645401 (E_RNA)
where:
Base-Base interactions energy: -139.982
where: short stacking energy: -58.042
Base-Backbone interact. energy: 1.069
local terms energy: -80.732930
where:
bonds (distance) C4'-P energy: -19.975
bonds (distance) P-C4' energy: -17.836
flat angles C4'-P-C4' energy: -18.508
flat angles P-C4'-P energy: -14.798
tors. eta vs tors. theta energy: -9.617
Dist. restrs. and SS energy: 3.395 (S_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: -360.655988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.655988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.921784 (E_RNA)
where:
Base-Base interactions energy: -258.872
where: short stacking energy: -96.523
Base-Backbone interact. energy: 0.091
local terms energy: -102.140177
where:
bonds (distance) C4'-P energy: -22.256
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -23.356
flat angles P-C4'-P energy: -16.857
tors. eta vs tors. theta energy: -26.130
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: 6
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -370.886336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.886336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.037817 (E_RNA)
where:
Base-Base interactions energy: -252.194
where: short stacking energy: -105.416
Base-Backbone interact. energy: -1.462
local terms energy: -118.381339
where:
bonds (distance) C4'-P energy: -22.276
bonds (distance) P-C4' energy: -23.573
flat angles C4'-P-C4' energy: -24.007
flat angles P-C4'-P energy: -14.800
tors. eta vs tors. theta energy: -33.724
Dist. restrs. and SS energy: 1.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -354.085310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.085310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.116114 (E_RNA)
where:
Base-Base interactions energy: -252.568
where: short stacking energy: -97.955
Base-Backbone interact. energy: -0.860
local terms energy: -102.688135
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -22.602
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -16.728
tors. eta vs tors. theta energy: -29.345
Dist. restrs. and SS energy: 2.031 (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: 3
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -326.109576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.109576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.487124 (E_RNA)
where:
Base-Base interactions energy: -223.927
where: short stacking energy: -104.492
Base-Backbone interact. energy: -0.341
local terms energy: -103.218827
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -19.997
flat angles P-C4'-P energy: -15.401
tors. eta vs tors. theta energy: -29.718
Dist. restrs. and SS energy: 1.378 (S_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: 390
Temperature: 1.100000
Total energy: -302.192140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.192140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.356017 (E_RNA)
where:
Base-Base interactions energy: -213.616
where: short stacking energy: -98.153
Base-Backbone interact. energy: -0.474
local terms energy: -90.265968
where:
bonds (distance) C4'-P energy: -11.152
bonds (distance) P-C4' energy: -21.383
flat angles C4'-P-C4' energy: -19.071
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -27.097
Dist. restrs. and SS energy: 2.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -297.040894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.040894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.945395 (E_RNA)
where:
Base-Base interactions energy: -208.924
where: short stacking energy: -89.340
Base-Backbone interact. energy: -0.863
local terms energy: -88.158321
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -15.581
tors. eta vs tors. theta energy: -23.419
Dist. restrs. and SS energy: 0.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -216.782155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.782155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.899838 (E_RNA)
where:
Base-Base interactions energy: -141.955
where: short stacking energy: -52.024
Base-Backbone interact. energy: -0.644
local terms energy: -74.300774
where:
bonds (distance) C4'-P energy: -22.329
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -20.060
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -3.951
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: 7
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -239.533415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.533415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.651940 (E_RNA)
where:
Base-Base interactions energy: -162.129
where: short stacking energy: -65.168
Base-Backbone interact. energy: 2.996
local terms energy: -86.518465
where:
bonds (distance) C4'-P energy: -21.267
bonds (distance) P-C4' energy: -18.438
flat angles C4'-P-C4' energy: -23.493
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -11.161
Dist. restrs. and SS energy: 6.119 (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: 10
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -243.394024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.394024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.947883 (E_RNA)
where:
Base-Base interactions energy: -159.917
where: short stacking energy: -63.535
Base-Backbone interact. energy: -0.241
local terms energy: -85.789752
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -22.561
flat angles C4'-P-C4' energy: -21.263
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: -17.287
Dist. restrs. and SS energy: 2.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -204.973901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.973901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.472998 (E_RNA)
where:
Base-Base interactions energy: -125.973
where: short stacking energy: -54.515
Base-Backbone interact. energy: 0.048
local terms energy: -83.548013
where:
bonds (distance) C4'-P energy: -20.606
bonds (distance) P-C4' energy: -27.001
flat angles C4'-P-C4' energy: -9.066
flat angles P-C4'-P energy: -18.575
tors. eta vs tors. theta energy: -8.299
Dist. restrs. and SS energy: 4.499 (S_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: -367.472204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.472204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.095787 (E_RNA)
where:
Base-Base interactions energy: -259.218
where: short stacking energy: -104.778
Base-Backbone interact. energy: 3.963
local terms energy: -113.841131
where:
bonds (distance) C4'-P energy: -19.746
bonds (distance) P-C4' energy: -23.905
flat angles C4'-P-C4' energy: -22.822
flat angles P-C4'-P energy: -19.048
tors. eta vs tors. theta energy: -28.319
Dist. restrs. and SS energy: 1.624 (S_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: 391
Temperature: 0.950000
Total energy: -362.466531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.466531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.097271 (E_RNA)
where:
Base-Base interactions energy: -252.307
where: short stacking energy: -87.007
Base-Backbone interact. energy: -3.629
local terms energy: -107.160939
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -21.536
flat angles P-C4'-P energy: -19.310
tors. eta vs tors. theta energy: -28.786
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: 3, replica: 2
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -348.342834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.342834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.777617 (E_RNA)
where:
Base-Base interactions energy: -243.049
where: short stacking energy: -96.103
Base-Backbone interact. energy: 1.033
local terms energy: -107.761986
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -23.765
flat angles C4'-P-C4' energy: -24.027
flat angles P-C4'-P energy: -20.609
tors. eta vs tors. theta energy: -29.191
Dist. restrs. and SS energy: 1.435 (S_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: 391
Temperature: 1.050000
Total energy: -313.195002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.195002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.930746 (E_RNA)
where:
Base-Base interactions energy: -220.914
where: short stacking energy: -97.221
Base-Backbone interact. energy: -1.099
local terms energy: -92.917040
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -21.770
flat angles C4'-P-C4' energy: -22.056
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -22.579
Dist. restrs. and SS energy: 1.736 (S_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: 391
Temperature: 1.100000
Total energy: -304.193533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.193533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.093511 (E_RNA)
where:
Base-Base interactions energy: -207.315
where: short stacking energy: -90.049
Base-Backbone interact. energy: -0.602
local terms energy: -98.175845
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -26.087
flat angles C4'-P-C4' energy: -20.545
flat angles P-C4'-P energy: -14.214
tors. eta vs tors. theta energy: -20.785
Dist. restrs. and SS energy: 1.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -313.005168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.005168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.293356 (E_RNA)
where:
Base-Base interactions energy: -229.401
where: short stacking energy: -78.959
Base-Backbone interact. energy: 1.635
local terms energy: -86.527571
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -22.818
flat angles C4'-P-C4' energy: -18.628
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -20.348
Dist. restrs. and SS energy: 1.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -233.727567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.727567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.370048 (E_RNA)
where:
Base-Base interactions energy: -148.264
where: short stacking energy: -63.327
Base-Backbone interact. energy: 1.097
local terms energy: -87.203184
where:
bonds (distance) C4'-P energy: -20.210
bonds (distance) P-C4' energy: -24.535
flat angles C4'-P-C4' energy: -20.297
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -8.810
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: 391
Temperature: 1.250000
Total energy: -227.365034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.365034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.766765 (E_RNA)
where:
Base-Base interactions energy: -164.588
where: short stacking energy: -61.273
Base-Backbone interact. energy: 0.118
local terms energy: -70.297370
where:
bonds (distance) C4'-P energy: -20.259
bonds (distance) P-C4' energy: -17.493
flat angles C4'-P-C4' energy: -10.554
flat angles P-C4'-P energy: -15.550
tors. eta vs tors. theta energy: -6.442
Dist. restrs. and SS energy: 7.402 (S_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: -245.329588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.329588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.996936 (E_RNA)
where:
Base-Base interactions energy: -173.643
where: short stacking energy: -64.977
Base-Backbone interact. energy: -0.625
local terms energy: -71.728591
where:
bonds (distance) C4'-P energy: -16.710
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -16.935
tors. eta vs tors. theta energy: -11.944
Dist. restrs. and SS energy: 0.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -220.967380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.967380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.094182 (E_RNA)
where:
Base-Base interactions energy: -158.571
where: short stacking energy: -59.855
Base-Backbone interact. energy: 0.576
local terms energy: -66.099603
where:
bonds (distance) C4'-P energy: -8.972
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -17.106
tors. eta vs tors. theta energy: -7.792
Dist. restrs. and SS energy: 3.127 (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: 9
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -360.638429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.638429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.557678 (E_RNA)
where:
Base-Base interactions energy: -256.948
where: short stacking energy: -95.235
Base-Backbone interact. energy: -0.536
local terms energy: -104.073234
where:
bonds (distance) C4'-P energy: -20.036
bonds (distance) P-C4' energy: -20.361
flat angles C4'-P-C4' energy: -21.128
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -30.517
Dist. restrs. and SS energy: 0.919 (S_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: 392
Temperature: 0.950000
Total energy: -365.506702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.506702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.093034 (E_RNA)
where:
Base-Base interactions energy: -252.109
where: short stacking energy: -109.967
Base-Backbone interact. energy: -1.303
local terms energy: -112.680987
where:
bonds (distance) C4'-P energy: -23.680
bonds (distance) P-C4' energy: -22.028
flat angles C4'-P-C4' energy: -20.942
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -33.296
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: 2
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -360.546460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.546460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.345232 (E_RNA)
where:
Base-Base interactions energy: -253.740
where: short stacking energy: -81.840
Base-Backbone interact. energy: -1.027
local terms energy: -107.578039
where:
bonds (distance) C4'-P energy: -17.075
bonds (distance) P-C4' energy: -24.253
flat angles C4'-P-C4' energy: -25.889
flat angles P-C4'-P energy: -18.333
tors. eta vs tors. theta energy: -22.029
Dist. restrs. and SS energy: 1.799 (S_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: -319.638353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.638353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.499169 (E_RNA)
where:
Base-Base interactions energy: -224.644
where: short stacking energy: -87.267
Base-Backbone interact. energy: 3.908
local terms energy: -99.763354
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -26.571
flat angles C4'-P-C4' energy: -18.211
flat angles P-C4'-P energy: -18.976
tors. eta vs tors. theta energy: -19.977
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: 5, replica: 1
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -333.577326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.577326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.130792 (E_RNA)
where:
Base-Base interactions energy: -229.314
where: short stacking energy: -88.735
Base-Backbone interact. energy: -0.927
local terms energy: -104.889418
where:
bonds (distance) C4'-P energy: -21.021
bonds (distance) P-C4' energy: -21.334
flat angles C4'-P-C4' energy: -19.553
flat angles P-C4'-P energy: -19.065
tors. eta vs tors. theta energy: -23.916
Dist. restrs. and SS energy: 1.553 (S_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: 392
Temperature: 1.150000
Total energy: -310.712627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.712627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.976912 (E_RNA)
where:
Base-Base interactions energy: -211.833
where: short stacking energy: -82.868
Base-Backbone interact. energy: -0.245
local terms energy: -99.898543
where:
bonds (distance) C4'-P energy: -18.865
bonds (distance) P-C4' energy: -20.650
flat angles C4'-P-C4' energy: -21.723
flat angles P-C4'-P energy: -17.828
tors. eta vs tors. theta energy: -20.833
Dist. restrs. and SS energy: 1.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -242.992443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.992443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.391635 (E_RNA)
where:
Base-Base interactions energy: -165.493
where: short stacking energy: -60.358
Base-Backbone interact. energy: -0.906
local terms energy: -76.992535
where:
bonds (distance) C4'-P energy: -18.396
bonds (distance) P-C4' energy: -21.479
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -10.571
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: 8, replica: 7
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -251.368198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.368198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.781529 (E_RNA)
where:
Base-Base interactions energy: -180.005
where: short stacking energy: -71.640
Base-Backbone interact. energy: -0.854
local terms energy: -81.921692
where:
bonds (distance) C4'-P energy: -18.545
bonds (distance) P-C4' energy: -11.281
flat angles C4'-P-C4' energy: -18.448
flat angles P-C4'-P energy: -13.607
tors. eta vs tors. theta energy: -20.040
Dist. restrs. and SS energy: 11.413 (S_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: 392
Temperature: 1.300000
Total energy: -243.869338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.869338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.264866 (E_RNA)
where:
Base-Base interactions energy: -163.772
where: short stacking energy: -65.064
Base-Backbone interact. energy: -1.605
local terms energy: -83.887733
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -26.467
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -18.882
Dist. restrs. and SS energy: 5.396 (S_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: -215.029959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.029959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.134048 (E_RNA)
where:
Base-Base interactions energy: -132.713
where: short stacking energy: -55.489
Base-Backbone interact. energy: -1.019
local terms energy: -82.402068
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -19.657
flat angles C4'-P-C4' energy: -21.997
flat angles P-C4'-P energy: -13.970
tors. eta vs tors. theta energy: -8.944
Dist. restrs. and SS energy: 1.104 (S_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: -370.859965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.859965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.429354 (E_RNA)
where:
Base-Base interactions energy: -257.497
where: short stacking energy: -99.018
Base-Backbone interact. energy: -1.878
local terms energy: -113.054616
where:
bonds (distance) C4'-P energy: -24.082
bonds (distance) P-C4' energy: -25.716
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -17.296
tors. eta vs tors. theta energy: -26.306
Dist. restrs. and SS energy: 1.569 (S_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: 393
Temperature: 0.950000
Total energy: -344.744325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.744325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.050108 (E_RNA)
where:
Base-Base interactions energy: -242.177
where: short stacking energy: -86.064
Base-Backbone interact. energy: -2.186
local terms energy: -101.686988
where:
bonds (distance) C4'-P energy: -21.626
bonds (distance) P-C4' energy: -21.345
flat angles C4'-P-C4' energy: -23.395
flat angles P-C4'-P energy: -16.865
tors. eta vs tors. theta energy: -18.456
Dist. restrs. and SS energy: 1.306 (S_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: 393
Temperature: 1.000000
Total energy: -355.215175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.215175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.547625 (E_RNA)
where:
Base-Base interactions energy: -251.916
where: short stacking energy: -94.864
Base-Backbone interact. energy: -3.083
local terms energy: -101.548134
where:
bonds (distance) C4'-P energy: -18.215
bonds (distance) P-C4' energy: -21.288
flat angles C4'-P-C4' energy: -19.229
flat angles P-C4'-P energy: -17.715
tors. eta vs tors. theta energy: -25.100
Dist. restrs. and SS energy: 1.332 (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: 1
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -348.777275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.777275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.881469 (E_RNA)
where:
Base-Base interactions energy: -240.647
where: short stacking energy: -100.879
Base-Backbone interact. energy: -0.256
local terms energy: -109.978526
where:
bonds (distance) C4'-P energy: -17.818
bonds (distance) P-C4' energy: -20.925
flat angles C4'-P-C4' energy: -22.102
flat angles P-C4'-P energy: -18.163
tors. eta vs tors. theta energy: -30.971
Dist. restrs. and SS energy: 2.104 (S_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: 393
Temperature: 1.100000
Total energy: -320.762174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.762174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.597261 (E_RNA)
where:
Base-Base interactions energy: -226.982
where: short stacking energy: -96.574
Base-Backbone interact. energy: 0.557
local terms energy: -95.172183
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -21.086
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -20.302
tors. eta vs tors. theta energy: -22.554
Dist. restrs. and SS energy: 0.835 (S_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: 393
Temperature: 1.150000
Total energy: -293.491734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.491734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.014998 (E_RNA)
where:
Base-Base interactions energy: -200.039
where: short stacking energy: -82.063
Base-Backbone interact. energy: -1.152
local terms energy: -93.824278
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -21.872
flat angles C4'-P-C4' energy: -21.634
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: -22.902
Dist. restrs. and SS energy: 1.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -238.047717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.047717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.428002 (E_RNA)
where:
Base-Base interactions energy: -146.505
where: short stacking energy: -78.063
Base-Backbone interact. energy: 0.418
local terms energy: -93.341460
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -18.941
flat angles C4'-P-C4' energy: -22.202
flat angles P-C4'-P energy: -19.411
tors. eta vs tors. theta energy: -16.503
Dist. restrs. and SS energy: 1.380 (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: 4
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -275.062440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.062440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.551159 (E_RNA)
where:
Base-Base interactions energy: -194.694
where: short stacking energy: -82.119
Base-Backbone interact. energy: -0.155
local terms energy: -81.702108
where:
bonds (distance) C4'-P energy: -17.184
bonds (distance) P-C4' energy: -17.348
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -14.820
tors. eta vs tors. theta energy: -16.000
Dist. restrs. and SS energy: 1.489 (S_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: 393
Temperature: 1.300000
Total energy: -233.711312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.711312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.654171 (E_RNA)
where:
Base-Base interactions energy: -161.425
where: short stacking energy: -58.672
Base-Backbone interact. energy: -1.674
local terms energy: -72.555386
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -19.480
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -12.194
Dist. restrs. and SS energy: 1.943 (S_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: -201.234937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.234937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.763610 (E_RNA)
where:
Base-Base interactions energy: -135.665
where: short stacking energy: -53.668
Base-Backbone interact. energy: -1.276
local terms energy: -65.822689
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -20.904
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -7.680
Dist. restrs. and SS energy: 1.529 (S_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: -369.803001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.803001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.471018 (E_RNA)
where:
Base-Base interactions energy: -264.985
where: short stacking energy: -99.232
Base-Backbone interact. energy: 1.972
local terms energy: -107.458855
where:
bonds (distance) C4'-P energy: -21.536
bonds (distance) P-C4' energy: -18.894
flat angles C4'-P-C4' energy: -19.378
flat angles P-C4'-P energy: -18.457
tors. eta vs tors. theta energy: -29.193
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: 2, replica: 2
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -366.510856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.510856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.266133 (E_RNA)
where:
Base-Base interactions energy: -255.884
where: short stacking energy: -92.474
Base-Backbone interact. energy: -1.834
local terms energy: -109.547583
where:
bonds (distance) C4'-P energy: -20.284
bonds (distance) P-C4' energy: -23.290
flat angles C4'-P-C4' energy: -21.873
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -30.629
Dist. restrs. and SS energy: 0.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -362.004704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.004704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.826416 (E_RNA)
where:
Base-Base interactions energy: -245.568
where: short stacking energy: -103.090
Base-Backbone interact. energy: -0.565
local terms energy: -116.693932
where:
bonds (distance) C4'-P energy: -22.421
bonds (distance) P-C4' energy: -23.028
flat angles C4'-P-C4' energy: -24.716
flat angles P-C4'-P energy: -16.521
tors. eta vs tors. theta energy: -30.008
Dist. restrs. and SS energy: 0.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -332.398167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.398167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.985216 (E_RNA)
where:
Base-Base interactions energy: -232.639
where: short stacking energy: -90.380
Base-Backbone interact. energy: -1.014
local terms energy: -99.332508
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -19.990
flat angles C4'-P-C4' energy: -23.220
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -27.287
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: 5, replica: 8
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -325.787414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.787414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.196596 (E_RNA)
where:
Base-Base interactions energy: -217.897
where: short stacking energy: -88.594
Base-Backbone interact. energy: -0.183
local terms energy: -109.116570
where:
bonds (distance) C4'-P energy: -21.079
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -25.095
flat angles P-C4'-P energy: -19.351
tors. eta vs tors. theta energy: -26.003
Dist. restrs. and SS energy: 1.409 (S_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: -307.487361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.487361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.227959 (E_RNA)
where:
Base-Base interactions energy: -215.672
where: short stacking energy: -78.792
Base-Backbone interact. energy: 0.097
local terms energy: -92.652271
where:
bonds (distance) C4'-P energy: -22.060
bonds (distance) P-C4' energy: -18.741
flat angles C4'-P-C4' energy: -24.441
flat angles P-C4'-P energy: -14.390
tors. eta vs tors. theta energy: -13.020
Dist. restrs. and SS energy: 0.741 (S_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: 394
Temperature: 1.200000
Total energy: -278.057292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.057292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.579821 (E_RNA)
where:
Base-Base interactions energy: -193.073
where: short stacking energy: -81.584
Base-Backbone interact. energy: -0.293
local terms energy: -88.213734
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -18.449
tors. eta vs tors. theta energy: -16.832
Dist. restrs. and SS energy: 3.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -231.436408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.436408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.004118 (E_RNA)
where:
Base-Base interactions energy: -140.261
where: short stacking energy: -65.511
Base-Backbone interact. energy: -1.136
local terms energy: -90.607504
where:
bonds (distance) C4'-P energy: -22.508
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -24.531
flat angles P-C4'-P energy: -17.135
tors. eta vs tors. theta energy: -12.034
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: 9, replica: 7
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -255.430327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.430327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.181110 (E_RNA)
where:
Base-Base interactions energy: -175.230
where: short stacking energy: -77.313
Base-Backbone interact. energy: 0.144
local terms energy: -82.094463
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -21.666
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -20.655
Dist. restrs. and SS energy: 1.751 (S_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: 394
Temperature: 1.350000
Total energy: -191.867277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.867277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.075800 (E_RNA)
where:
Base-Base interactions energy: -119.260
where: short stacking energy: -40.604
Base-Backbone interact. energy: -0.450
local terms energy: -78.365793
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -22.761
flat angles C4'-P-C4' energy: -18.605
flat angles P-C4'-P energy: -16.644
tors. eta vs tors. theta energy: -2.102
Dist. restrs. and SS energy: 6.209 (S_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: -375.968759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.968759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.660297 (E_RNA)
where:
Base-Base interactions energy: -253.574
where: short stacking energy: -99.917
Base-Backbone interact. energy: -0.764
local terms energy: -122.322059
where:
bonds (distance) C4'-P energy: -22.815
bonds (distance) P-C4' energy: -24.209
flat angles C4'-P-C4' energy: -26.324
flat angles P-C4'-P energy: -17.099
tors. eta vs tors. theta energy: -31.876
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: 2, replica: 1
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -355.429529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.429529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.649131 (E_RNA)
where:
Base-Base interactions energy: -241.517
where: short stacking energy: -101.738
Base-Backbone interact. energy: 0.177
local terms energy: -115.308866
where:
bonds (distance) C4'-P energy: -23.645
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -23.229
flat angles P-C4'-P energy: -20.444
tors. eta vs tors. theta energy: -29.740
Dist. restrs. and SS energy: 1.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -353.377836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.377836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.792361 (E_RNA)
where:
Base-Base interactions energy: -251.887
where: short stacking energy: -83.154
Base-Backbone interact. energy: -1.845
local terms energy: -101.060755
where:
bonds (distance) C4'-P energy: -21.225
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -24.626
flat angles P-C4'-P energy: -18.981
tors. eta vs tors. theta energy: -23.567
Dist. restrs. and SS energy: 1.415 (S_DIST_RNA)
chem. 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: -351.819964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.819964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.533839 (E_RNA)
where:
Base-Base interactions energy: -248.590
where: short stacking energy: -83.695
Base-Backbone interact. energy: -0.240
local terms energy: -103.703092
where:
bonds (distance) C4'-P energy: -23.931
bonds (distance) P-C4' energy: -18.475
flat angles C4'-P-C4' energy: -20.235
flat angles P-C4'-P energy: -13.483
tors. eta vs tors. theta energy: -27.579
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: 5, replica: 8
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -319.815048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.815048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.524240 (E_RNA)
where:
Base-Base interactions energy: -230.184
where: short stacking energy: -90.076
Base-Backbone interact. energy: 0.027
local terms energy: -91.367520
where:
bonds (distance) C4'-P energy: -19.945
bonds (distance) P-C4' energy: -26.072
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -21.891
Dist. restrs. and SS energy: 1.709 (S_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: 395
Temperature: 1.150000
Total energy: -294.638637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.638637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.303941 (E_RNA)
where:
Base-Base interactions energy: -199.349
where: short stacking energy: -79.941
Base-Backbone interact. energy: -1.154
local terms energy: -95.801621
where:
bonds (distance) C4'-P energy: -20.612
bonds (distance) P-C4' energy: -19.599
flat angles C4'-P-C4' energy: -22.614
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -18.685
Dist. restrs. and SS energy: 1.665 (S_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: 395
Temperature: 1.200000
Total energy: -277.438120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.438120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.489774 (E_RNA)
where:
Base-Base interactions energy: -197.927
where: short stacking energy: -85.899
Base-Backbone interact. energy: 0.796
local terms energy: -84.359453
where:
bonds (distance) C4'-P energy: -17.430
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -20.562
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -21.417
Dist. restrs. and SS energy: 4.052 (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: 7
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -275.971486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.971486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.749784 (E_RNA)
where:
Base-Base interactions energy: -193.839
where: short stacking energy: -79.664
Base-Backbone interact. energy: -0.601
local terms energy: -82.309951
where:
bonds (distance) C4'-P energy: -21.767
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -19.537
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -18.310
Dist. restrs. and SS energy: 0.778 (S_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: 395
Temperature: 1.300000
Total energy: -254.781089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.781089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.102167 (E_RNA)
where:
Base-Base interactions energy: -160.893
where: short stacking energy: -62.947
Base-Backbone interact. energy: -0.984
local terms energy: -94.225463
where:
bonds (distance) C4'-P energy: -20.436
bonds (distance) P-C4' energy: -19.022
flat angles C4'-P-C4' energy: -21.333
flat angles P-C4'-P energy: -16.857
tors. eta vs tors. theta energy: -16.577
Dist. restrs. and SS energy: 1.321 (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: 10
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -198.078212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.078212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.365966 (E_RNA)
where:
Base-Base interactions energy: -119.944
where: short stacking energy: -53.556
Base-Backbone interact. energy: -0.368
local terms energy: -83.054717
where:
bonds (distance) C4'-P energy: -26.864
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -11.546
Dist. restrs. and SS energy: 5.288 (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: 1
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -365.225390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.225390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.613437 (E_RNA)
where:
Base-Base interactions energy: -252.905
where: short stacking energy: -104.184
Base-Backbone interact. energy: -0.498
local terms energy: -113.210286
where:
bonds (distance) C4'-P energy: -20.773
bonds (distance) P-C4' energy: -23.883
flat angles C4'-P-C4' energy: -23.365
flat angles P-C4'-P energy: -15.268
tors. eta vs tors. theta energy: -29.921
Dist. restrs. and SS energy: 1.388 (S_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: -360.643578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.643578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.892506 (E_RNA)
where:
Base-Base interactions energy: -260.267
where: short stacking energy: -100.017
Base-Backbone interact. energy: -1.354
local terms energy: -100.271920
where:
bonds (distance) C4'-P energy: -20.586
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -22.415
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -29.182
Dist. restrs. and SS energy: 1.249 (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: 2
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -352.615381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.615381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.716101 (E_RNA)
where:
Base-Base interactions energy: -251.268
where: short stacking energy: -88.718
Base-Backbone interact. energy: -1.426
local terms energy: -101.022073
where:
bonds (distance) C4'-P energy: -19.254
bonds (distance) P-C4' energy: -22.723
flat angles C4'-P-C4' energy: -21.215
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -24.220
Dist. restrs. and SS energy: 1.101 (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: 6
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -347.608510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.608510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.487770 (E_RNA)
where:
Base-Base interactions energy: -239.400
where: short stacking energy: -85.109
Base-Backbone interact. energy: 0.416
local terms energy: -109.503297
where:
bonds (distance) C4'-P energy: -22.569
bonds (distance) P-C4' energy: -25.240
flat angles C4'-P-C4' energy: -21.731
flat angles P-C4'-P energy: -15.446
tors. eta vs tors. theta energy: -24.517
Dist. restrs. and SS energy: 0.879 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -317.258330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.258330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.290724 (E_RNA)
where:
Base-Base interactions energy: -215.126
where: short stacking energy: -91.932
Base-Backbone interact. energy: -0.163
local terms energy: -103.001678
where:
bonds (distance) C4'-P energy: -22.662
bonds (distance) P-C4' energy: -18.940
flat angles C4'-P-C4' energy: -21.360
flat angles P-C4'-P energy: -15.467
tors. eta vs tors. theta energy: -24.573
Dist. restrs. and SS energy: 1.032 (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: 3
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -298.424412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.424412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.345486 (E_RNA)
where:
Base-Base interactions energy: -206.167
where: short stacking energy: -83.660
Base-Backbone interact. energy: -0.207
local terms energy: -92.971602
where:
bonds (distance) C4'-P energy: -19.360
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -21.990
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -18.926
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: 7, replica: 4
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -265.904187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.904187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.159292 (E_RNA)
where:
Base-Base interactions energy: -171.497
where: short stacking energy: -87.710
Base-Backbone interact. energy: -0.253
local terms energy: -96.409585
where:
bonds (distance) C4'-P energy: -19.552
bonds (distance) P-C4' energy: -21.459
flat angles C4'-P-C4' energy: -20.555
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -22.196
Dist. restrs. and SS energy: 2.255 (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: 7
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -275.018423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.018423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.709357 (E_RNA)
where:
Base-Base interactions energy: -190.979
where: short stacking energy: -83.827
Base-Backbone interact. energy: -0.341
local terms energy: -86.389803
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -19.614
flat angles C4'-P-C4' energy: -19.089
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -21.028
Dist. restrs. and SS energy: 2.691 (S_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: 396
Temperature: 1.300000
Total energy: -242.543002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.543002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.061563 (E_RNA)
where:
Base-Base interactions energy: -162.013
where: short stacking energy: -56.137
Base-Backbone interact. energy: -0.813
local terms energy: -80.235583
where:
bonds (distance) C4'-P energy: -23.999
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -8.835
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: 10
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -205.384190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.384190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.512178 (E_RNA)
where:
Base-Base interactions energy: -127.381
where: short stacking energy: -52.069
Base-Backbone interact. energy: -1.628
local terms energy: -79.503150
where:
bonds (distance) C4'-P energy: -25.141
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -18.696
flat angles P-C4'-P energy: -3.119
tors. eta vs tors. theta energy: -13.428
Dist. restrs. and SS energy: 3.128 (S_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: 397
Temperature: 0.900000
Total energy: -365.906530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.906530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.100461 (E_RNA)
where:
Base-Base interactions energy: -254.645
where: short stacking energy: -97.745
Base-Backbone interact. energy: -0.616
local terms energy: -111.839590
where:
bonds (distance) C4'-P energy: -19.462
bonds (distance) P-C4' energy: -22.960
flat angles C4'-P-C4' energy: -24.322
flat angles P-C4'-P energy: -17.025
tors. eta vs tors. theta energy: -28.070
Dist. restrs. and SS energy: 1.194 (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: 9
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -357.606890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.606890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.267161 (E_RNA)
where:
Base-Base interactions energy: -252.573
where: short stacking energy: -97.756
Base-Backbone interact. energy: -0.804
local terms energy: -104.890849
where:
bonds (distance) C4'-P energy: -20.467
bonds (distance) P-C4' energy: -25.866
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: -29.208
Dist. restrs. and SS energy: 0.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -352.822652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.822652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.406487 (E_RNA)
where:
Base-Base interactions energy: -242.032
where: short stacking energy: -94.083
Base-Backbone interact. energy: 0.621
local terms energy: -112.995471
where:
bonds (distance) C4'-P energy: -18.243
bonds (distance) P-C4' energy: -21.679
flat angles C4'-P-C4' energy: -21.031
flat angles P-C4'-P energy: -22.810
tors. eta vs tors. theta energy: -29.233
Dist. restrs. and SS energy: 1.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -315.982570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.982570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.679984 (E_RNA)
where:
Base-Base interactions energy: -210.777
where: short stacking energy: -90.065
Base-Backbone interact. energy: 0.356
local terms energy: -106.258908
where:
bonds (distance) C4'-P energy: -23.170
bonds (distance) P-C4' energy: -24.753
flat angles C4'-P-C4' energy: -19.742
flat angles P-C4'-P energy: -14.143
tors. eta vs tors. theta energy: -24.450
Dist. restrs. and SS energy: 0.697 (S_DIST_RNA)
chem. 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: -330.019506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.019506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.242444 (E_RNA)
where:
Base-Base interactions energy: -233.531
where: short stacking energy: -89.008
Base-Backbone interact. energy: -0.594
local terms energy: -97.117514
where:
bonds (distance) C4'-P energy: -23.198
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -19.942
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -27.158
Dist. restrs. and SS energy: 1.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -268.001794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.001794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.295703 (E_RNA)
where:
Base-Base interactions energy: -174.452
where: short stacking energy: -80.384
Base-Backbone interact. energy: -1.335
local terms energy: -94.508879
where:
bonds (distance) C4'-P energy: -22.864
bonds (distance) P-C4' energy: -25.768
flat angles C4'-P-C4' energy: -21.423
flat angles P-C4'-P energy: -4.200
tors. eta vs tors. theta energy: -20.255
Dist. restrs. and SS energy: 2.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -288.237358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.237358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.399026 (E_RNA)
where:
Base-Base interactions energy: -197.509
where: short stacking energy: -85.772
Base-Backbone interact. energy: -0.778
local terms energy: -94.111524
where:
bonds (distance) C4'-P energy: -10.247
bonds (distance) P-C4' energy: -23.077
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -19.594
tors. eta vs tors. theta energy: -23.090
Dist. restrs. and SS energy: 4.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -236.823183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.823183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.002442 (E_RNA)
where:
Base-Base interactions energy: -165.057
where: short stacking energy: -60.518
Base-Backbone interact. energy: -0.818
local terms energy: -73.127593
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -18.313
flat angles C4'-P-C4' energy: -22.772
flat angles P-C4'-P energy: -4.150
tors. eta vs tors. theta energy: -14.109
Dist. restrs. and SS energy: 2.179 (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: 5
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -239.403500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.403500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.229917 (E_RNA)
where:
Base-Base interactions energy: -158.024
where: short stacking energy: -66.482
Base-Backbone interact. energy: -0.226
local terms energy: -81.980555
where:
bonds (distance) C4'-P energy: -20.679
bonds (distance) P-C4' energy: -19.555
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -14.792
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: 10, replica: 10
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -195.937760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.937760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.427261 (E_RNA)
where:
Base-Base interactions energy: -120.473
where: short stacking energy: -44.365
Base-Backbone interact. energy: -1.146
local terms energy: -75.808737
where:
bonds (distance) C4'-P energy: -19.865
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -18.351
flat angles P-C4'-P energy: -15.148
tors. eta vs tors. theta energy: -5.442
Dist. restrs. and SS energy: 1.490 (S_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: 398
Temperature: 0.900000
Total energy: -376.825257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.825257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.887406 (E_RNA)
where:
Base-Base interactions energy: -257.754
where: short stacking energy: -108.412
Base-Backbone interact. energy: -0.949
local terms energy: -119.183728
where:
bonds (distance) C4'-P energy: -23.758
bonds (distance) P-C4' energy: -23.309
flat angles C4'-P-C4' energy: -25.128
flat angles P-C4'-P energy: -15.963
tors. eta vs tors. theta energy: -31.027
Dist. restrs. and SS energy: 1.062 (S_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: 398
Temperature: 0.950000
Total energy: -359.156425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.156425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.134094 (E_RNA)
where:
Base-Base interactions energy: -248.688
where: short stacking energy: -101.474
Base-Backbone interact. energy: -0.006
local terms energy: -111.440089
where:
bonds (distance) C4'-P energy: -19.079
bonds (distance) P-C4' energy: -24.562
flat angles C4'-P-C4' energy: -24.634
flat angles P-C4'-P energy: -14.292
tors. eta vs tors. theta energy: -28.873
Dist. restrs. and SS energy: 0.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -344.594780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.594780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.623129 (E_RNA)
where:
Base-Base interactions energy: -232.726
where: short stacking energy: -85.949
Base-Backbone interact. energy: -0.747
local terms energy: -112.149815
where:
bonds (distance) C4'-P energy: -19.892
bonds (distance) P-C4' energy: -26.156
flat angles C4'-P-C4' energy: -26.218
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -29.002
Dist. restrs. and SS energy: 1.028 (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: 8
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -337.703202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.703202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.736513 (E_RNA)
where:
Base-Base interactions energy: -219.853
where: short stacking energy: -96.684
Base-Backbone interact. energy: -1.421
local terms energy: -116.462761
where:
bonds (distance) C4'-P energy: -22.135
bonds (distance) P-C4' energy: -24.692
flat angles C4'-P-C4' energy: -25.333
flat angles P-C4'-P energy: -15.596
tors. eta vs tors. theta energy: -28.707
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: 6
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -336.752710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.752710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.370150 (E_RNA)
where:
Base-Base interactions energy: -241.186
where: short stacking energy: -92.029
Base-Backbone interact. energy: -1.106
local terms energy: -95.078277
where:
bonds (distance) C4'-P energy: -20.138
bonds (distance) P-C4' energy: -17.400
flat angles C4'-P-C4' energy: -17.998
flat angles P-C4'-P energy: -15.137
tors. eta vs tors. theta energy: -24.406
Dist. restrs. and SS energy: 0.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -278.832529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.832529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.358550 (E_RNA)
where:
Base-Base interactions energy: -190.318
where: short stacking energy: -89.236
Base-Backbone interact. energy: -0.155
local terms energy: -94.885468
where:
bonds (distance) C4'-P energy: -22.119
bonds (distance) P-C4' energy: -16.465
flat angles C4'-P-C4' energy: -23.892
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -20.880
Dist. restrs. and SS energy: 6.526 (S_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: 398
Temperature: 1.200000
Total energy: -286.855790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.855790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.785661 (E_RNA)
where:
Base-Base interactions energy: -201.957
where: short stacking energy: -72.683
Base-Backbone interact. energy: -0.954
local terms energy: -84.875023
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -20.467
flat angles C4'-P-C4' energy: -19.092
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -19.290
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: 8, replica: 7
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -238.794349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.794349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.703101 (E_RNA)
where:
Base-Base interactions energy: -157.778
where: short stacking energy: -62.660
Base-Backbone interact. energy: -0.332
local terms energy: -89.593049
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -24.122
flat angles C4'-P-C4' energy: -22.431
flat angles P-C4'-P energy: -17.884
tors. eta vs tors. theta energy: -8.026
Dist. restrs. and SS energy: 8.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -217.070964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.070964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.266655 (E_RNA)
where:
Base-Base interactions energy: -143.762
where: short stacking energy: -57.248
Base-Backbone interact. energy: -0.293
local terms energy: -74.210858
where:
bonds (distance) C4'-P energy: -21.951
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -20.132
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -8.618
Dist. restrs. and SS energy: 1.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -219.645127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.645127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.026092 (E_RNA)
where:
Base-Base interactions energy: -135.958
where: short stacking energy: -57.265
Base-Backbone interact. energy: 0.284
local terms energy: -87.352891
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -25.841
flat angles C4'-P-C4' energy: -19.744
flat angles P-C4'-P energy: -15.817
tors. eta vs tors. theta energy: -10.659
Dist. restrs. and SS energy: 3.381 (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: 1
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -370.073764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.073764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.108475 (E_RNA)
where:
Base-Base interactions energy: -254.880
where: short stacking energy: -99.396
Base-Backbone interact. energy: -0.672
local terms energy: -114.555795
where:
bonds (distance) C4'-P energy: -25.709
bonds (distance) P-C4' energy: -21.905
flat angles C4'-P-C4' energy: -22.205
flat angles P-C4'-P energy: -17.340
tors. eta vs tors. theta energy: -27.397
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: 9
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -364.956977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.956977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.448103 (E_RNA)
where:
Base-Base interactions energy: -248.781
where: short stacking energy: -92.774
Base-Backbone interact. energy: -0.645
local terms energy: -117.021910
where:
bonds (distance) C4'-P energy: -25.922
bonds (distance) P-C4' energy: -26.891
flat angles C4'-P-C4' energy: -20.704
flat angles P-C4'-P energy: -16.402
tors. eta vs tors. theta energy: -27.102
Dist. restrs. and SS energy: 1.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -332.382812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.382812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.218402 (E_RNA)
where:
Base-Base interactions energy: -228.215
where: short stacking energy: -86.148
Base-Backbone interact. energy: -1.530
local terms energy: -103.474035
where:
bonds (distance) C4'-P energy: -23.345
bonds (distance) P-C4' energy: -18.689
flat angles C4'-P-C4' energy: -25.108
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -23.430
Dist. restrs. and SS energy: 0.836 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -347.258661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.258661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.606770 (E_RNA)
where:
Base-Base interactions energy: -243.794
where: short stacking energy: -89.263
Base-Backbone interact. energy: -0.726
local terms energy: -104.086784
where:
bonds (distance) C4'-P energy: -23.236
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -25.168
flat angles P-C4'-P energy: -13.284
tors. eta vs tors. theta energy: -26.242
Dist. restrs. and SS energy: 1.348 (S_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: 399
Temperature: 1.100000
Total energy: -348.399812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.399812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.522492 (E_RNA)
where:
Base-Base interactions energy: -227.145
where: short stacking energy: -107.992
Base-Backbone interact. energy: -0.638
local terms energy: -120.739961
where:
bonds (distance) C4'-P energy: -22.257
bonds (distance) P-C4' energy: -25.169
flat angles C4'-P-C4' energy: -26.244
flat angles P-C4'-P energy: -15.570
tors. eta vs tors. theta energy: -31.500
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: 3
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -299.088305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.088305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.664546 (E_RNA)
where:
Base-Base interactions energy: -193.743
where: short stacking energy: -74.379
Base-Backbone interact. energy: -0.192
local terms energy: -105.730024
where:
bonds (distance) C4'-P energy: -22.756
bonds (distance) P-C4' energy: -21.781
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -18.750
tors. eta vs tors. theta energy: -25.547
Dist. restrs. and SS energy: 0.576 (S_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: 399
Temperature: 1.200000
Total energy: -250.001633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.001633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.620149 (E_RNA)
where:
Base-Base interactions energy: -170.874
where: short stacking energy: -60.615
Base-Backbone interact. energy: 1.688
local terms energy: -84.433829
where:
bonds (distance) C4'-P energy: -19.334
bonds (distance) P-C4' energy: -22.394
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: -12.449
Dist. restrs. and SS energy: 3.619 (S_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: 399
Temperature: 1.250000
Total energy: -240.527169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.527169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.297594 (E_RNA)
where:
Base-Base interactions energy: -160.478
where: short stacking energy: -77.791
Base-Backbone interact. energy: -0.323
local terms energy: -83.496457
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -20.518
flat angles C4'-P-C4' energy: -21.054
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -14.060
Dist. restrs. and SS energy: 3.770 (S_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: 399
Temperature: 1.300000
Total energy: -206.776203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.776203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.336869 (E_RNA)
where:
Base-Base interactions energy: -133.337
where: short stacking energy: -54.684
Base-Backbone interact. energy: 0.593
local terms energy: -80.592760
where:
bonds (distance) C4'-P energy: -17.806
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -23.675
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -9.273
Dist. restrs. and SS energy: 6.561 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -225.468160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.468160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.932357 (E_RNA)
where:
Base-Base interactions energy: -143.569
where: short stacking energy: -62.005
Base-Backbone interact. energy: 2.082
local terms energy: -86.444858
where:
bonds (distance) C4'-P energy: -21.190
bonds (distance) P-C4' energy: -24.133
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -13.987
Dist. restrs. and SS energy: 2.464 (S_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: 400
Temperature: 0.900000
Total energy: -376.341150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.341150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.742595 (E_RNA)
where:
Base-Base interactions energy: -266.294
where: short stacking energy: -104.041
Base-Backbone interact. energy: -0.547
local terms energy: -110.901177
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -21.170
flat angles C4'-P-C4' energy: -21.304
flat angles P-C4'-P energy: -19.891
tors. eta vs tors. theta energy: -30.847
Dist. restrs. and SS energy: 1.401 (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: 9
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -370.060013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.060013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.678779 (E_RNA)
where:
Base-Base interactions energy: -252.789
where: short stacking energy: -101.807
Base-Backbone interact. energy: -0.442
local terms energy: -117.447944
where:
bonds (distance) C4'-P energy: -20.692
bonds (distance) P-C4' energy: -25.100
flat angles C4'-P-C4' energy: -26.994
flat angles P-C4'-P energy: -14.299
tors. eta vs tors. theta energy: -30.363
Dist. restrs. and SS energy: 0.619 (S_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: 400
Temperature: 1.000000
Total energy: -338.875604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.875604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.531001 (E_RNA)
where:
Base-Base interactions energy: -227.877
where: short stacking energy: -90.593
Base-Backbone interact. energy: 0.942
local terms energy: -113.596168
where:
bonds (distance) C4'-P energy: -24.424
bonds (distance) P-C4' energy: -21.330
flat angles C4'-P-C4' energy: -24.551
flat angles P-C4'-P energy: -19.092
tors. eta vs tors. theta energy: -24.199
Dist. restrs. and SS energy: 1.655 (S_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: 400
Temperature: 1.050000
Total energy: -341.153831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.153831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.797491 (E_RNA)
where:
Base-Base interactions energy: -235.993
where: short stacking energy: -91.870
Base-Backbone interact. energy: 1.047
local terms energy: -106.851842
where:
bonds (distance) C4'-P energy: -23.539
bonds (distance) P-C4' energy: -20.096
flat angles C4'-P-C4' energy: -19.152
flat angles P-C4'-P energy: -14.336
tors. eta vs tors. theta energy: -29.730
Dist. restrs. and SS energy: 0.644 (S_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: 400
Temperature: 1.100000
Total energy: -301.497532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.497532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.519068 (E_RNA)
where:
Base-Base interactions energy: -212.903
where: short stacking energy: -77.913
Base-Backbone interact. energy: -0.367
local terms energy: -90.249341
where:
bonds (distance) C4'-P energy: -22.542
bonds (distance) P-C4' energy: -18.973
flat angles C4'-P-C4' energy: -23.897
flat angles P-C4'-P energy: -6.349
tors. eta vs tors. theta energy: -18.488
Dist. restrs. and SS energy: 2.022 (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: 3
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -288.279944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.279944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.065054 (E_RNA)
where:
Base-Base interactions energy: -188.676
where: short stacking energy: -72.261
Base-Backbone interact. energy: -0.288
local terms energy: -100.100942
where:
bonds (distance) C4'-P energy: -18.273
bonds (distance) P-C4' energy: -19.455
flat angles C4'-P-C4' energy: -20.910
flat angles P-C4'-P energy: -17.258
tors. eta vs tors. theta energy: -24.205
Dist. restrs. and SS energy: 0.785 (S_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: 400
Temperature: 1.200000
Total energy: -236.566493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.566493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.001554 (E_RNA)
where:
Base-Base interactions energy: -150.598
where: short stacking energy: -63.617
Base-Backbone interact. energy: -0.639
local terms energy: -94.764223
where:
bonds (distance) C4'-P energy: -18.340
bonds (distance) P-C4' energy: -23.413
flat angles C4'-P-C4' energy: -19.526
flat angles P-C4'-P energy: -15.677
tors. eta vs tors. theta energy: -17.809
Dist. restrs. and SS energy: 9.435 (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: 4
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -271.052595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.052595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.857969 (E_RNA)
where:
Base-Base interactions energy: -186.695
where: short stacking energy: -89.614
Base-Backbone interact. energy: -0.360
local terms energy: -85.803410
where:
bonds (distance) C4'-P energy: -17.493
bonds (distance) P-C4' energy: -15.760
flat angles C4'-P-C4' energy: -19.046
flat angles P-C4'-P energy: -17.223
tors. eta vs tors. theta energy: -16.280
Dist. restrs. and SS energy: 1.805 (S_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: 400
Temperature: 1.300000
Total energy: -271.775020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.775020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.502537 (E_RNA)
where:
Base-Base interactions energy: -182.993
where: short stacking energy: -80.112
Base-Backbone interact. energy: 0.374
local terms energy: -89.883974
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -18.084
flat angles C4'-P-C4' energy: -22.595
flat angles P-C4'-P energy: -16.156
tors. eta vs tors. theta energy: -19.292
Dist. restrs. and SS energy: 0.728 (S_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: 400
Temperature: 1.350000
Total energy: -223.877137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.877137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.530059 (E_RNA)
where:
Base-Base interactions energy: -146.978
where: short stacking energy: -51.767
Base-Backbone interact. energy: 0.528
local terms energy: -78.080253
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -24.783
flat angles C4'-P-C4' energy: -19.416
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -10.330
Dist. restrs. and SS energy: 0.653 (S_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: 401
Temperature: 0.900000
Total energy: -374.096456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.096456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.573866 (E_RNA)
where:
Base-Base interactions energy: -257.243
where: short stacking energy: -101.453
Base-Backbone interact. energy: -0.614
local terms energy: -117.717499
where:
bonds (distance) C4'-P energy: -22.925
bonds (distance) P-C4' energy: -20.493
flat angles C4'-P-C4' energy: -25.372
flat angles P-C4'-P energy: -20.262
tors. eta vs tors. theta energy: -28.666
Dist. restrs. and SS energy: 1.477 (S_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: 401
Temperature: 0.950000
Total energy: -349.995304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.995304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.999182 (E_RNA)
where:
Base-Base interactions energy: -253.734
where: short stacking energy: -95.190
Base-Backbone interact. energy: -1.320
local terms energy: -95.945611
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -22.048
flat angles C4'-P-C4' energy: -21.649
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -24.720
Dist. restrs. and SS energy: 1.004 (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: 401
Temperature: 1.000000
Total energy: -351.978744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.978744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.248942 (E_RNA)
where:
Base-Base interactions energy: -254.846
where: short stacking energy: -95.319
Base-Backbone interact. energy: -1.528
local terms energy: -96.874841
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -20.905
flat angles P-C4'-P energy: -17.768
tors. eta vs tors. theta energy: -26.249
Dist. restrs. and SS energy: 1.270 (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: 401
Temperature: 1.050000
Total energy: -346.494623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.494623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.841139 (E_RNA)
where:
Base-Base interactions energy: -239.417
where: short stacking energy: -89.608
Base-Backbone interact. energy: -0.734
local terms energy: -106.689933
where:
bonds (distance) C4'-P energy: -23.204
bonds (distance) P-C4' energy: -23.889
flat angles C4'-P-C4' energy: -19.834
flat angles P-C4'-P energy: -13.073
tors. eta vs tors. theta energy: -26.690
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: 8
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -329.616824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.616824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.995079 (E_RNA)
where:
Base-Base interactions energy: -233.757
where: short stacking energy: -89.671
Base-Backbone interact. energy: -0.056
local terms energy: -97.182364
where:
bonds (distance) C4'-P energy: -22.508
bonds (distance) P-C4' energy: -16.736
flat angles C4'-P-C4' energy: -17.871
flat angles P-C4'-P energy: -17.592
tors. eta vs tors. theta energy: -22.475
Dist. restrs. and SS energy: 1.378 (S_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: 401
Temperature: 1.150000
Total energy: -282.487884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.487884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.843693 (E_RNA)
where:
Base-Base interactions energy: -202.353
where: short stacking energy: -69.083
Base-Backbone interact. energy: -1.158
local terms energy: -81.332192
where:
bonds (distance) C4'-P energy: -11.587
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -22.308
flat angles P-C4'-P energy: -15.330
tors. eta vs tors. theta energy: -15.919
Dist. restrs. and SS energy: 2.356 (S_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: 401
Temperature: 1.200000
Total energy: -257.069565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.069565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.595782 (E_RNA)
where:
Base-Base interactions energy: -164.699
where: short stacking energy: -60.101
Base-Backbone interact. energy: -1.119
local terms energy: -93.778271
where:
bonds (distance) C4'-P energy: -21.114
bonds (distance) P-C4' energy: -19.713
flat angles C4'-P-C4' energy: -22.647
flat angles P-C4'-P energy: -16.471
tors. eta vs tors. theta energy: -13.834
Dist. restrs. and SS energy: 2.526 (S_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: 401
Temperature: 1.250000
Total energy: -250.855999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.855999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.750610 (E_RNA)
where:
Base-Base interactions energy: -163.736
where: short stacking energy: -69.662
Base-Backbone interact. energy: -0.093
local terms energy: -88.921363
where:
bonds (distance) C4'-P energy: -22.914
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -21.076
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -18.746
Dist. restrs. and SS energy: 1.895 (S_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: 401
Temperature: 1.300000
Total energy: -270.055301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.055301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.931157 (E_RNA)
where:
Base-Base interactions energy: -187.244
where: short stacking energy: -69.932
Base-Backbone interact. energy: -0.360
local terms energy: -84.327188
where:
bonds (distance) C4'-P energy: -21.735
bonds (distance) P-C4' energy: -20.375
flat angles C4'-P-C4' energy: -19.773
flat angles P-C4'-P energy: -5.452
tors. eta vs tors. theta energy: -16.993
Dist. restrs. and SS energy: 1.876 (S_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: 401
Temperature: 1.350000
Total energy: -219.616249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.616249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.957001 (E_RNA)
where:
Base-Base interactions energy: -160.030
where: short stacking energy: -57.090
Base-Backbone interact. energy: -1.725
local terms energy: -66.202158
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -11.710
flat angles C4'-P-C4' energy: -19.342
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -7.317
Dist. restrs. and SS energy: 8.341 (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: 1
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -377.655146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.655146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.959691 (E_RNA)
where:
Base-Base interactions energy: -264.102
where: short stacking energy: -103.636
Base-Backbone interact. energy: -1.236
local terms energy: -113.622104
where:
bonds (distance) C4'-P energy: -20.546
bonds (distance) P-C4' energy: -20.905
flat angles C4'-P-C4' energy: -24.958
flat angles P-C4'-P energy: -15.802
tors. eta vs tors. theta energy: -31.411
Dist. restrs. and SS energy: 1.305 (S_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: 402
Temperature: 0.950000
Total energy: -360.563046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.563046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.662701 (E_RNA)
where:
Base-Base interactions energy: -250.453
where: short stacking energy: -89.141
Base-Backbone interact. energy: -0.717
local terms energy: -109.492136
where:
bonds (distance) C4'-P energy: -22.186
bonds (distance) P-C4' energy: -26.484
flat angles C4'-P-C4' energy: -21.007
flat angles P-C4'-P energy: -20.113
tors. eta vs tors. theta energy: -19.703
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: 3, replica: 2
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -349.642599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.642599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.899844 (E_RNA)
where:
Base-Base interactions energy: -247.421
where: short stacking energy: -101.153
Base-Backbone interact. energy: -1.266
local terms energy: -101.212541
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -20.299
flat angles C4'-P-C4' energy: -17.502
flat angles P-C4'-P energy: -17.164
tors. eta vs tors. theta energy: -28.008
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: 9
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -349.696298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.696298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.021094 (E_RNA)
where:
Base-Base interactions energy: -248.148
where: short stacking energy: -97.467
Base-Backbone interact. energy: -0.606
local terms energy: -102.267059
where:
bonds (distance) C4'-P energy: -22.944
bonds (distance) P-C4' energy: -21.686
flat angles C4'-P-C4' energy: -20.524
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -28.717
Dist. restrs. and SS energy: 1.325 (S_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: 402
Temperature: 1.100000
Total energy: -307.519097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.519097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.767750 (E_RNA)
where:
Base-Base interactions energy: -211.411
where: short stacking energy: -86.239
Base-Backbone interact. energy: -0.298
local terms energy: -99.058834
where:
bonds (distance) C4'-P energy: -22.908
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -21.942
flat angles P-C4'-P energy: -16.691
tors. eta vs tors. theta energy: -20.331
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: 6, replica: 8
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -282.355794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.355794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.168579 (E_RNA)
where:
Base-Base interactions energy: -200.903
where: short stacking energy: -78.033
Base-Backbone interact. energy: -1.441
local terms energy: -81.824594
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -18.127
flat angles C4'-P-C4' energy: -12.131
flat angles P-C4'-P energy: -20.031
tors. eta vs tors. theta energy: -17.409
Dist. restrs. and SS energy: 1.813 (S_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: 402
Temperature: 1.200000
Total energy: -276.188243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.188243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.142871 (E_RNA)
where:
Base-Base interactions energy: -186.575
where: short stacking energy: -69.632
Base-Backbone interact. energy: -0.384
local terms energy: -90.184224
where:
bonds (distance) C4'-P energy: -13.231
bonds (distance) P-C4' energy: -22.299
flat angles C4'-P-C4' energy: -18.287
flat angles P-C4'-P energy: -14.747
tors. eta vs tors. theta energy: -21.620
Dist. restrs. and SS energy: 0.955 (S_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: -249.145719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.145719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.222078 (E_RNA)
where:
Base-Base interactions energy: -166.067
where: short stacking energy: -62.491
Base-Backbone interact. energy: -0.397
local terms energy: -87.758214
where:
bonds (distance) C4'-P energy: -19.941
bonds (distance) P-C4' energy: -20.237
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -14.914
tors. eta vs tors. theta energy: -17.288
Dist. restrs. and SS energy: 5.076 (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: 10
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -239.454338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.454338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.079990 (E_RNA)
where:
Base-Base interactions energy: -154.249
where: short stacking energy: -66.991
Base-Backbone interact. energy: -0.468
local terms energy: -90.362439
where:
bonds (distance) C4'-P energy: -24.416
bonds (distance) P-C4' energy: -22.603
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -14.879
tors. eta vs tors. theta energy: -12.224
Dist. restrs. and SS energy: 5.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -212.679404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.679404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.849276 (E_RNA)
where:
Base-Base interactions energy: -136.618
where: short stacking energy: -61.737
Base-Backbone interact. energy: -0.276
local terms energy: -79.955556
where:
bonds (distance) C4'-P energy: -8.201
bonds (distance) P-C4' energy: -18.516
flat angles C4'-P-C4' energy: -22.850
flat angles P-C4'-P energy: -15.767
tors. eta vs tors. theta energy: -14.622
Dist. restrs. and SS energy: 4.170 (S_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: 403
Temperature: 0.900000
Total energy: -364.969540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.969540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.249743 (E_RNA)
where:
Base-Base interactions energy: -252.054
where: short stacking energy: -95.857
Base-Backbone interact. energy: -2.938
local terms energy: -111.257801
where:
bonds (distance) C4'-P energy: -19.824
bonds (distance) P-C4' energy: -27.126
flat angles C4'-P-C4' energy: -21.362
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -30.330
Dist. restrs. and SS energy: 1.280 (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: 403
Temperature: 0.950000
Total energy: -363.814810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.814810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.792499 (E_RNA)
where:
Base-Base interactions energy: -263.437
where: short stacking energy: -102.481
Base-Backbone interact. energy: -0.712
local terms energy: -100.643070
where:
bonds (distance) C4'-P energy: -19.873
bonds (distance) P-C4' energy: -16.077
flat angles C4'-P-C4' energy: -23.284
flat angles P-C4'-P energy: -15.123
tors. eta vs tors. theta energy: -26.286
Dist. restrs. and SS energy: 0.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -348.317375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.317375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.922629 (E_RNA)
where:
Base-Base interactions energy: -248.690
where: short stacking energy: -95.330
Base-Backbone interact. energy: -0.654
local terms energy: -99.579191
where:
bonds (distance) C4'-P energy: -23.286
bonds (distance) P-C4' energy: -19.564
flat angles C4'-P-C4' energy: -23.119
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -24.924
Dist. restrs. and SS energy: 0.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -342.822756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.822756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.930552 (E_RNA)
where:
Base-Base interactions energy: -237.867
where: short stacking energy: -91.570
Base-Backbone interact. energy: -0.970
local terms energy: -105.093027
where:
bonds (distance) C4'-P energy: -22.739
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -22.948
flat angles P-C4'-P energy: -18.163
tors. eta vs tors. theta energy: -24.019
Dist. restrs. and SS energy: 1.108 (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: 3
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -295.777628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.777628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.935988 (E_RNA)
where:
Base-Base interactions energy: -202.806
where: short stacking energy: -85.803
Base-Backbone interact. energy: -1.425
local terms energy: -93.705455
where:
bonds (distance) C4'-P energy: -24.711
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -20.366
flat angles P-C4'-P energy: -16.198
tors. eta vs tors. theta energy: -15.693
Dist. restrs. and SS energy: 2.158 (S_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: 403
Temperature: 1.150000
Total energy: -308.167931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.167931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.173525 (E_RNA)
where:
Base-Base interactions energy: -214.367
where: short stacking energy: -80.387
Base-Backbone interact. energy: -0.105
local terms energy: -94.700987
where:
bonds (distance) C4'-P energy: -21.467
bonds (distance) P-C4' energy: -21.578
flat angles C4'-P-C4' energy: -18.218
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -21.014
Dist. restrs. and SS energy: 1.006 (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: 7
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -268.009474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.009474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.014367 (E_RNA)
where:
Base-Base interactions energy: -174.996
where: short stacking energy: -76.921
Base-Backbone interact. energy: -0.227
local terms energy: -94.790548
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -24.790
flat angles C4'-P-C4' energy: -21.078
flat angles P-C4'-P energy: -16.508
tors. eta vs tors. theta energy: -17.614
Dist. restrs. and SS energy: 2.005 (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: 403
Temperature: 1.250000
Total energy: -258.407782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.407782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.841016 (E_RNA)
where:
Base-Base interactions energy: -167.969
where: short stacking energy: -70.961
Base-Backbone interact. energy: -0.191
local terms energy: -93.680970
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -23.464
flat angles C4'-P-C4' energy: -20.654
flat angles P-C4'-P energy: -15.783
tors. eta vs tors. theta energy: -19.452
Dist. restrs. and SS energy: 3.433 (S_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: -237.986117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.986117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.751864 (E_RNA)
where:
Base-Base interactions energy: -151.498
where: short stacking energy: -65.412
Base-Backbone interact. energy: -0.504
local terms energy: -89.750336
where:
bonds (distance) C4'-P energy: -21.034
bonds (distance) P-C4' energy: -20.609
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -19.048
tors. eta vs tors. theta energy: -14.578
Dist. restrs. and SS energy: 3.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -250.093860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.093860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.140928 (E_RNA)
where:
Base-Base interactions energy: -176.860
where: short stacking energy: -67.443
Base-Backbone interact. energy: -0.353
local terms energy: -74.928438
where:
bonds (distance) C4'-P energy: -19.252
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -19.760
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -12.529
Dist. restrs. and SS energy: 2.047 (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: 6
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -371.084906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.084906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.022161 (E_RNA)
where:
Base-Base interactions energy: -256.040
where: short stacking energy: -98.853
Base-Backbone interact. energy: -1.334
local terms energy: -114.648181
where:
bonds (distance) C4'-P energy: -24.288
bonds (distance) P-C4' energy: -22.781
flat angles C4'-P-C4' energy: -24.723
flat angles P-C4'-P energy: -15.585
tors. eta vs tors. theta energy: -27.271
Dist. restrs. and SS energy: 0.937 (S_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: 404
Temperature: 0.950000
Total energy: -367.159654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.159654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.391224 (E_RNA)
where:
Base-Base interactions energy: -249.187
where: short stacking energy: -94.584
Base-Backbone interact. energy: -2.945
local terms energy: -116.259250
where:
bonds (distance) C4'-P energy: -24.784
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -24.209
flat angles P-C4'-P energy: -18.563
tors. eta vs tors. theta energy: -31.216
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: 3, replica: 9
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -344.747513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.747513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.132154 (E_RNA)
where:
Base-Base interactions energy: -239.850
where: short stacking energy: -90.004
Base-Backbone interact. energy: -0.935
local terms energy: -105.347621
where:
bonds (distance) C4'-P energy: -19.891
bonds (distance) P-C4' energy: -22.985
flat angles C4'-P-C4' energy: -22.726
flat angles P-C4'-P energy: -13.270
tors. eta vs tors. theta energy: -26.475
Dist. restrs. and SS energy: 1.385 (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: 2
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -343.257982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.257982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.997085 (E_RNA)
where:
Base-Base interactions energy: -231.237
where: short stacking energy: -92.240
Base-Backbone interact. energy: -1.024
local terms energy: -111.735878
where:
bonds (distance) C4'-P energy: -21.539
bonds (distance) P-C4' energy: -20.950
flat angles C4'-P-C4' energy: -19.973
flat angles P-C4'-P energy: -17.084
tors. eta vs tors. theta energy: -32.189
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: 5, replica: 8
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -326.920108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.920108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.183071 (E_RNA)
where:
Base-Base interactions energy: -230.151
where: short stacking energy: -90.604
Base-Backbone interact. energy: -0.156
local terms energy: -96.876105
where:
bonds (distance) C4'-P energy: -17.912
bonds (distance) P-C4' energy: -23.439
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -16.457
tors. eta vs tors. theta energy: -22.396
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: 6, replica: 3
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -299.742176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.742176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.025847 (E_RNA)
where:
Base-Base interactions energy: -203.999
where: short stacking energy: -85.061
Base-Backbone interact. energy: -0.179
local terms energy: -95.847592
where:
bonds (distance) C4'-P energy: -21.530
bonds (distance) P-C4' energy: -22.428
flat angles C4'-P-C4' energy: -17.955
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -20.687
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: 7, replica: 10
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -232.853397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.853397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.575726 (E_RNA)
where:
Base-Base interactions energy: -145.523
where: short stacking energy: -62.332
Base-Backbone interact. energy: 1.109
local terms energy: -90.161381
where:
bonds (distance) C4'-P energy: -19.959
bonds (distance) P-C4' energy: -23.403
flat angles C4'-P-C4' energy: -22.426
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -12.719
Dist. restrs. and SS energy: 1.722 (S_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: 404
Temperature: 1.250000
Total energy: -270.108964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.108964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.439366 (E_RNA)
where:
Base-Base interactions energy: -176.218
where: short stacking energy: -74.426
Base-Backbone interact. energy: 1.372
local terms energy: -95.593932
where:
bonds (distance) C4'-P energy: -19.127
bonds (distance) P-C4' energy: -18.896
flat angles C4'-P-C4' energy: -26.215
flat angles P-C4'-P energy: -18.857
tors. eta vs tors. theta energy: -12.499
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: 9, replica: 4
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -253.826441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.826441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.907266 (E_RNA)
where:
Base-Base interactions energy: -173.080
where: short stacking energy: -72.980
Base-Backbone interact. energy: -0.480
local terms energy: -80.346995
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -19.505
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -18.761
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: 5
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -240.431486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.431486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.659524 (E_RNA)
where:
Base-Base interactions energy: -169.854
where: short stacking energy: -61.305
Base-Backbone interact. energy: -0.839
local terms energy: -69.966818
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -24.522
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -6.639
tors. eta vs tors. theta energy: -13.617
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: 1, replica: 6
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -381.258827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.258827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.042314 (E_RNA)
where:
Base-Base interactions energy: -261.186
where: short stacking energy: -102.825
Base-Backbone interact. energy: -1.363
local terms energy: -119.493281
where:
bonds (distance) C4'-P energy: -22.576
bonds (distance) P-C4' energy: -26.203
flat angles C4'-P-C4' energy: -23.324
flat angles P-C4'-P energy: -17.508
tors. eta vs tors. theta energy: -29.883
Dist. restrs. and SS energy: 0.783 (S_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: 405
Temperature: 0.950000
Total energy: -368.830273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.830273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.763774 (E_RNA)
where:
Base-Base interactions energy: -248.867
where: short stacking energy: -98.968
Base-Backbone interact. energy: -2.805
local terms energy: -119.092167
where:
bonds (distance) C4'-P energy: -22.241
bonds (distance) P-C4' energy: -24.450
flat angles C4'-P-C4' energy: -21.716
flat angles P-C4'-P energy: -17.699
tors. eta vs tors. theta energy: -32.987
Dist. restrs. and SS energy: 1.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -348.680890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.680890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.907883 (E_RNA)
where:
Base-Base interactions energy: -248.737
where: short stacking energy: -96.307
Base-Backbone interact. energy: -1.258
local terms energy: -99.913137
where:
bonds (distance) C4'-P energy: -18.413
bonds (distance) P-C4' energy: -23.221
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -15.545
tors. eta vs tors. theta energy: -24.815
Dist. restrs. and SS energy: 1.227 (S_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: 405
Temperature: 1.050000
Total energy: -319.132892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.132892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.246263 (E_RNA)
where:
Base-Base interactions energy: -213.630
where: short stacking energy: -96.427
Base-Backbone interact. energy: -1.008
local terms energy: -105.608561
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -22.577
flat angles P-C4'-P energy: -18.100
tors. eta vs tors. theta energy: -26.303
Dist. restrs. and SS energy: 1.113 (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: 2
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -337.433667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.433667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.896379 (E_RNA)
where:
Base-Base interactions energy: -238.042
where: short stacking energy: -97.858
Base-Backbone interact. energy: -0.805
local terms energy: -99.049196
where:
bonds (distance) C4'-P energy: -19.176
bonds (distance) P-C4' energy: -17.434
flat angles C4'-P-C4' energy: -23.485
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -26.965
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: 6, replica: 3
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -285.952386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.952386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.195584 (E_RNA)
where:
Base-Base interactions energy: -191.702
where: short stacking energy: -76.132
Base-Backbone interact. energy: -0.475
local terms energy: -94.018425
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -24.204
flat angles C4'-P-C4' energy: -25.479
flat angles P-C4'-P energy: -16.265
tors. eta vs tors. theta energy: -13.680
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: 10
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -282.621280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.621280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.976519 (E_RNA)
where:
Base-Base interactions energy: -194.622
where: short stacking energy: -79.467
Base-Backbone interact. energy: 3.863
local terms energy: -96.218051
where:
bonds (distance) C4'-P energy: -20.312
bonds (distance) P-C4' energy: -21.537
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -16.645
tors. eta vs tors. theta energy: -22.651
Dist. restrs. and SS energy: 4.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -225.004052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.004052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.226345 (E_RNA)
where:
Base-Base interactions energy: -139.872
where: short stacking energy: -69.029
Base-Backbone interact. energy: 0.353
local terms energy: -89.707973
where:
bonds (distance) C4'-P energy: -20.234
bonds (distance) P-C4' energy: -21.337
flat angles C4'-P-C4' energy: -20.326
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -21.474
Dist. restrs. and SS energy: 4.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -259.682698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.682698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.850468 (E_RNA)
where:
Base-Base interactions energy: -174.598
where: short stacking energy: -61.463
Base-Backbone interact. energy: -0.844
local terms energy: -86.408803
where:
bonds (distance) C4'-P energy: -21.773
bonds (distance) P-C4' energy: -20.471
flat angles C4'-P-C4' energy: -18.884
flat angles P-C4'-P energy: -14.747
tors. eta vs tors. theta energy: -10.534
Dist. restrs. and SS energy: 2.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -202.083336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.083336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.551199 (E_RNA)
where:
Base-Base interactions energy: -136.871
where: short stacking energy: -49.578
Base-Backbone interact. energy: 0.472
local terms energy: -66.151582
where:
bonds (distance) C4'-P energy: -19.021
bonds (distance) P-C4' energy: -19.842
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -13.038
tors. eta vs tors. theta energy: 0.651
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: 1, replica: 1
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -371.178489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.178489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.713169 (E_RNA)
where:
Base-Base interactions energy: -254.357
where: short stacking energy: -107.924
Base-Backbone interact. energy: -0.568
local terms energy: -116.788290
where:
bonds (distance) C4'-P energy: -21.241
bonds (distance) P-C4' energy: -23.298
flat angles C4'-P-C4' energy: -23.191
flat angles P-C4'-P energy: -17.860
tors. eta vs tors. theta energy: -31.198
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: 2, replica: 6
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -367.030653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.030653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.533385 (E_RNA)
where:
Base-Base interactions energy: -261.042
where: short stacking energy: -102.557
Base-Backbone interact. energy: -1.743
local terms energy: -104.748007
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -23.558
flat angles C4'-P-C4' energy: -22.401
flat angles P-C4'-P energy: -15.071
tors. eta vs tors. theta energy: -30.165
Dist. restrs. and SS energy: 0.503 (S_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: 406
Temperature: 1.000000
Total energy: -353.810819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.810819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.145961 (E_RNA)
where:
Base-Base interactions energy: -244.119
where: short stacking energy: -82.832
Base-Backbone interact. energy: -0.025
local terms energy: -110.001846
where:
bonds (distance) C4'-P energy: -20.128
bonds (distance) P-C4' energy: -25.584
flat angles C4'-P-C4' energy: -25.264
flat angles P-C4'-P energy: -18.173
tors. eta vs tors. theta energy: -20.854
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: 4, replica: 8
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -303.026676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.026676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.250493 (E_RNA)
where:
Base-Base interactions energy: -208.321
where: short stacking energy: -89.422
Base-Backbone interact. energy: -0.366
local terms energy: -98.563255
where:
bonds (distance) C4'-P energy: -18.803
bonds (distance) P-C4' energy: -26.339
flat angles C4'-P-C4' energy: -22.399
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -17.213
Dist. restrs. and SS energy: 4.224 (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: 2
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -353.379777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.379777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.869362 (E_RNA)
where:
Base-Base interactions energy: -245.263
where: short stacking energy: -94.159
Base-Backbone interact. energy: -2.491
local terms energy: -107.115837
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -26.835
flat angles P-C4'-P energy: -15.597
tors. eta vs tors. theta energy: -31.285
Dist. restrs. and SS energy: 1.490 (S_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: 406
Temperature: 1.150000
Total energy: -293.027033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.027033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.808773 (E_RNA)
where:
Base-Base interactions energy: -195.769
where: short stacking energy: -82.473
Base-Backbone interact. energy: -0.397
local terms energy: -98.643028
where:
bonds (distance) C4'-P energy: -19.151
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -24.598
flat angles P-C4'-P energy: -18.206
tors. eta vs tors. theta energy: -18.982
Dist. restrs. and SS energy: 1.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -244.825849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.825849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.111272 (E_RNA)
where:
Base-Base interactions energy: -161.245
where: short stacking energy: -69.968
Base-Backbone interact. energy: 1.891
local terms energy: -85.756896
where:
bonds (distance) C4'-P energy: -21.122
bonds (distance) P-C4' energy: -24.833
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -11.113
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: 8, replica: 10
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -257.857349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.857349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.211274 (E_RNA)
where:
Base-Base interactions energy: -172.422
where: short stacking energy: -73.406
Base-Backbone interact. energy: -0.225
local terms energy: -87.564273
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -16.344
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -15.901
tors. eta vs tors. theta energy: -21.119
Dist. restrs. and SS energy: 2.354 (S_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: 406
Temperature: 1.300000
Total energy: -279.928135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.928135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.244633 (E_RNA)
where:
Base-Base interactions energy: -194.839
where: short stacking energy: -79.251
Base-Backbone interact. energy: -0.228
local terms energy: -88.177906
where:
bonds (distance) C4'-P energy: -18.985
bonds (distance) P-C4' energy: -21.540
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -17.205
Dist. restrs. and SS energy: 3.316 (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: 5
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -230.817553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.817553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.601540 (E_RNA)
where:
Base-Base interactions energy: -145.706
where: short stacking energy: -56.397
Base-Backbone interact. energy: -0.727
local terms energy: -85.168777
where:
bonds (distance) C4'-P energy: -18.098
bonds (distance) P-C4' energy: -18.516
flat angles C4'-P-C4' energy: -23.091
flat angles P-C4'-P energy: -13.445
tors. eta vs tors. theta energy: -12.020
Dist. restrs. and SS energy: 0.784 (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: 1
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -365.795916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.795916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.159883 (E_RNA)
where:
Base-Base interactions energy: -259.074
where: short stacking energy: -99.333
Base-Backbone interact. energy: 0.380
local terms energy: -108.465509
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -24.337
flat angles P-C4'-P energy: -19.821
tors. eta vs tors. theta energy: -29.568
Dist. restrs. and SS energy: 1.364 (S_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: -359.934110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.934110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.050382 (E_RNA)
where:
Base-Base interactions energy: -255.400
where: short stacking energy: -104.509
Base-Backbone interact. energy: 0.099
local terms energy: -104.749523
where:
bonds (distance) C4'-P energy: -20.099
bonds (distance) P-C4' energy: -17.276
flat angles C4'-P-C4' energy: -22.819
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -30.612
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: 3, replica: 6
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -354.374867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.374867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.657535 (E_RNA)
where:
Base-Base interactions energy: -252.206
where: short stacking energy: -93.328
Base-Backbone interact. energy: 0.078
local terms energy: -103.529666
where:
bonds (distance) C4'-P energy: -21.508
bonds (distance) P-C4' energy: -22.918
flat angles C4'-P-C4' energy: -17.540
flat angles P-C4'-P energy: -17.168
tors. eta vs tors. theta energy: -24.397
Dist. restrs. and SS energy: 1.283 (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: 2
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -349.761916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.761916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.908216 (E_RNA)
where:
Base-Base interactions energy: -249.345
where: short stacking energy: -95.512
Base-Backbone interact. energy: -0.609
local terms energy: -99.954867
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -22.142
flat angles P-C4'-P energy: -15.164
tors. eta vs tors. theta energy: -28.035
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: 5, replica: 8
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -313.674669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.674669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.304459 (E_RNA)
where:
Base-Base interactions energy: -227.274
where: short stacking energy: -83.798
Base-Backbone interact. energy: -0.022
local terms energy: -87.008320
where:
bonds (distance) C4'-P energy: -18.769
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -22.698
flat angles P-C4'-P energy: -12.498
tors. eta vs tors. theta energy: -17.378
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: 6, replica: 3
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -300.912738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.912738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.559115 (E_RNA)
where:
Base-Base interactions energy: -202.823
where: short stacking energy: -91.227
Base-Backbone interact. energy: -1.059
local terms energy: -98.677209
where:
bonds (distance) C4'-P energy: -20.860
bonds (distance) P-C4' energy: -20.510
flat angles C4'-P-C4' energy: -20.800
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -22.653
Dist. restrs. and SS energy: 1.646 (S_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: 407
Temperature: 1.200000
Total energy: -258.847379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.847379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.091468 (E_RNA)
where:
Base-Base interactions energy: -165.999
where: short stacking energy: -64.103
Base-Backbone interact. energy: -0.789
local terms energy: -92.303332
where:
bonds (distance) C4'-P energy: -19.882
bonds (distance) P-C4' energy: -22.539
flat angles C4'-P-C4' energy: -22.329
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -16.147
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: 7
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -251.372718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.372718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.748102 (E_RNA)
where:
Base-Base interactions energy: -157.425
where: short stacking energy: -65.894
Base-Backbone interact. energy: 0.174
local terms energy: -97.497612
where:
bonds (distance) C4'-P energy: -22.119
bonds (distance) P-C4' energy: -24.166
flat angles C4'-P-C4' energy: -21.078
flat angles P-C4'-P energy: -16.861
tors. eta vs tors. theta energy: -13.273
Dist. restrs. and SS energy: 3.375 (S_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: 407
Temperature: 1.300000
Total energy: -249.942558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.942558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.696865 (E_RNA)
where:
Base-Base interactions energy: -160.750
where: short stacking energy: -66.438
Base-Backbone interact. energy: -0.918
local terms energy: -90.028176
where:
bonds (distance) C4'-P energy: -21.763
bonds (distance) P-C4' energy: -24.148
flat angles C4'-P-C4' energy: -19.982
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -12.648
Dist. restrs. and SS energy: 1.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -221.891328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.891328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.803953 (E_RNA)
where:
Base-Base interactions energy: -154.774
where: short stacking energy: -55.859
Base-Backbone interact. energy: -0.734
local terms energy: -68.295431
where:
bonds (distance) C4'-P energy: -19.125
bonds (distance) P-C4' energy: -18.445
flat angles C4'-P-C4' energy: -20.320
flat angles P-C4'-P energy: -2.349
tors. eta vs tors. theta energy: -8.055
Dist. restrs. and SS energy: 1.913 (S_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: -371.054153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.054153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.602851 (E_RNA)
where:
Base-Base interactions energy: -256.935
where: short stacking energy: -108.293
Base-Backbone interact. energy: -0.878
local terms energy: -113.789883
where:
bonds (distance) C4'-P energy: -18.807
bonds (distance) P-C4' energy: -24.005
flat angles C4'-P-C4' energy: -26.110
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -31.095
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: 2, replica: 1
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -359.531273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.531273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.926370 (E_RNA)
where:
Base-Base interactions energy: -248.724
where: short stacking energy: -101.704
Base-Backbone interact. energy: -1.463
local terms energy: -110.739156
where:
bonds (distance) C4'-P energy: -18.287
bonds (distance) P-C4' energy: -24.719
flat angles C4'-P-C4' energy: -24.320
flat angles P-C4'-P energy: -16.964
tors. eta vs tors. theta energy: -26.450
Dist. restrs. and SS energy: 1.395 (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: 6
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -352.291011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.291011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.215536 (E_RNA)
where:
Base-Base interactions energy: -244.205
where: short stacking energy: -99.821
Base-Backbone interact. energy: -0.921
local terms energy: -108.089810
where:
bonds (distance) C4'-P energy: -20.322
bonds (distance) P-C4' energy: -21.301
flat angles C4'-P-C4' energy: -21.045
flat angles P-C4'-P energy: -18.699
tors. eta vs tors. theta energy: -26.722
Dist. restrs. and SS energy: 0.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -360.316841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.316841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.782978 (E_RNA)
where:
Base-Base interactions energy: -253.522
where: short stacking energy: -93.814
Base-Backbone interact. energy: -0.273
local terms energy: -107.988020
where:
bonds (distance) C4'-P energy: -19.710
bonds (distance) P-C4' energy: -22.327
flat angles C4'-P-C4' energy: -23.220
flat angles P-C4'-P energy: -16.029
tors. eta vs tors. theta energy: -26.703
Dist. restrs. and SS energy: 1.466 (S_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: 408
Temperature: 1.100000
Total energy: -305.079031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.079031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.679449 (E_RNA)
where:
Base-Base interactions energy: -207.672
where: short stacking energy: -83.799
Base-Backbone interact. energy: -0.397
local terms energy: -98.610442
where:
bonds (distance) C4'-P energy: -22.302
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -20.289
flat angles P-C4'-P energy: -15.866
tors. eta vs tors. theta energy: -25.959
Dist. restrs. and SS energy: 1.600 (S_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: 408
Temperature: 1.150000
Total energy: -302.537254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.537254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.535319 (E_RNA)
where:
Base-Base interactions energy: -213.800
where: short stacking energy: -84.377
Base-Backbone interact. energy: -0.547
local terms energy: -93.188164
where:
bonds (distance) C4'-P energy: -22.994
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -21.298
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -19.377
Dist. restrs. and SS energy: 4.998 (S_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: 408
Temperature: 1.200000
Total energy: -261.403804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.403804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.391551 (E_RNA)
where:
Base-Base interactions energy: -167.381
where: short stacking energy: -64.510
Base-Backbone interact. energy: -0.520
local terms energy: -94.491089
where:
bonds (distance) C4'-P energy: -22.186
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -24.799
flat angles P-C4'-P energy: -16.600
tors. eta vs tors. theta energy: -15.507
Dist. restrs. and SS energy: 0.988 (S_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: -212.171630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.171630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.307552 (E_RNA)
where:
Base-Base interactions energy: -143.971
where: short stacking energy: -58.757
Base-Backbone interact. energy: -0.389
local terms energy: -69.947330
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -18.952
flat angles P-C4'-P energy: -14.609
tors. eta vs tors. theta energy: -4.184
Dist. restrs. and SS energy: 2.136 (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: 5
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -224.554314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.554314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.999944 (E_RNA)
where:
Base-Base interactions energy: -153.791
where: short stacking energy: -64.183
Base-Backbone interact. energy: -1.171
local terms energy: -70.038722
where:
bonds (distance) C4'-P energy: -15.686
bonds (distance) P-C4' energy: -19.822
flat angles C4'-P-C4' energy: -21.725
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -1.247
Dist. restrs. and SS energy: 0.446 (S_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: 408
Temperature: 1.350000
Total energy: -230.987829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.987829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.442219 (E_RNA)
where:
Base-Base interactions energy: -157.577
where: short stacking energy: -59.744
Base-Backbone interact. energy: 0.088
local terms energy: -76.952928
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -20.722
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -15.219
Dist. restrs. and SS energy: 3.454 (S_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: -370.844925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.844925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.436987 (E_RNA)
where:
Base-Base interactions energy: -252.592
where: short stacking energy: -106.037
Base-Backbone interact. energy: -1.357
local terms energy: -117.487395
where:
bonds (distance) C4'-P energy: -21.787
bonds (distance) P-C4' energy: -22.724
flat angles C4'-P-C4' energy: -26.155
flat angles P-C4'-P energy: -14.791
tors. eta vs tors. theta energy: -32.030
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: 2, replica: 1
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -364.146923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.146923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.651348 (E_RNA)
where:
Base-Base interactions energy: -258.998
where: short stacking energy: -102.298
Base-Backbone interact. energy: -0.403
local terms energy: -106.250601
where:
bonds (distance) C4'-P energy: -25.257
bonds (distance) P-C4' energy: -24.444
flat angles C4'-P-C4' energy: -21.762
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -26.265
Dist. restrs. and SS energy: 1.504 (S_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: 409
Temperature: 1.000000
Total energy: -360.303646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.303646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.834639 (E_RNA)
where:
Base-Base interactions energy: -253.086
where: short stacking energy: -105.519
Base-Backbone interact. energy: -0.966
local terms energy: -106.782560
where:
bonds (distance) C4'-P energy: -21.804
bonds (distance) P-C4' energy: -21.999
flat angles C4'-P-C4' energy: -27.420
flat angles P-C4'-P energy: -6.954
tors. eta vs tors. theta energy: -28.606
Dist. restrs. and SS energy: 0.531 (S_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: 409
Temperature: 1.050000
Total energy: -343.798624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.798624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.015540 (E_RNA)
where:
Base-Base interactions energy: -242.760
where: short stacking energy: -91.424
Base-Backbone interact. energy: -0.611
local terms energy: -101.644609
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -23.558
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -28.508
Dist. restrs. and SS energy: 1.217 (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: 3
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -282.144358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.144358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.180926 (E_RNA)
where:
Base-Base interactions energy: -191.536
where: short stacking energy: -76.863
Base-Backbone interact. energy: -1.599
local terms energy: -92.046537
where:
bonds (distance) C4'-P energy: -18.459
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -21.437
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -20.870
Dist. restrs. and SS energy: 3.037 (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: 7
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -281.791569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.791569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.164976 (E_RNA)
where:
Base-Base interactions energy: -188.167
where: short stacking energy: -75.467
Base-Backbone interact. energy: -0.230
local terms energy: -94.768206
where:
bonds (distance) C4'-P energy: -23.265
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -19.867
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -21.834
Dist. restrs. and SS energy: 1.373 (S_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: 409
Temperature: 1.200000
Total energy: -269.674248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.674248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.955863 (E_RNA)
where:
Base-Base interactions energy: -174.281
where: short stacking energy: -73.995
Base-Backbone interact. energy: -0.630
local terms energy: -96.044880
where:
bonds (distance) C4'-P energy: -18.873
bonds (distance) P-C4' energy: -22.968
flat angles C4'-P-C4' energy: -21.210
flat angles P-C4'-P energy: -14.794
tors. eta vs tors. theta energy: -18.199
Dist. restrs. and SS energy: 1.282 (S_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: 409
Temperature: 1.250000
Total energy: -223.581397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.581397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.692138 (E_RNA)
where:
Base-Base interactions energy: -154.009
where: short stacking energy: -59.554
Base-Backbone interact. energy: -0.708
local terms energy: -72.975780
where:
bonds (distance) C4'-P energy: -15.234
bonds (distance) P-C4' energy: -23.913
flat angles C4'-P-C4' energy: -18.783
flat angles P-C4'-P energy: -12.173
tors. eta vs tors. theta energy: -2.873
Dist. restrs. and SS energy: 4.111 (S_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: -221.943374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.943374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.487660 (E_RNA)
where:
Base-Base interactions energy: -145.933
where: short stacking energy: -63.094
Base-Backbone interact. energy: -0.310
local terms energy: -79.244050
where:
bonds (distance) C4'-P energy: -19.035
bonds (distance) P-C4' energy: -18.879
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -14.224
Dist. restrs. and SS energy: 3.544 (S_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: 409
Temperature: 1.350000
Total energy: -248.359332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.359332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.958179 (E_RNA)
where:
Base-Base interactions energy: -167.414
where: short stacking energy: -58.952
Base-Backbone interact. energy: -0.819
local terms energy: -82.724908
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -21.898
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -17.028
tors. eta vs tors. theta energy: -11.458
Dist. restrs. and SS energy: 2.599 (S_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: -367.135880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.135880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.377871 (E_RNA)
where:
Base-Base interactions energy: -255.634
where: short stacking energy: -95.150
Base-Backbone interact. energy: -0.442
local terms energy: -112.301669
where:
bonds (distance) C4'-P energy: -22.101
bonds (distance) P-C4' energy: -25.526
flat angles C4'-P-C4' energy: -23.903
flat angles P-C4'-P energy: -16.457
tors. eta vs tors. theta energy: -24.315
Dist. restrs. and SS energy: 1.242 (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: 1
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -363.429817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.429817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.557827 (E_RNA)
where:
Base-Base interactions energy: -247.319
where: short stacking energy: -96.869
Base-Backbone interact. energy: -1.642
local terms energy: -114.596810
where:
bonds (distance) C4'-P energy: -24.847
bonds (distance) P-C4' energy: -22.836
flat angles C4'-P-C4' energy: -25.135
flat angles P-C4'-P energy: -16.212
tors. eta vs tors. theta energy: -25.567
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: 3, replica: 6
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -361.271906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.271906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.625767 (E_RNA)
where:
Base-Base interactions energy: -250.221
where: short stacking energy: -98.772
Base-Backbone interact. energy: -0.777
local terms energy: -111.627698
where:
bonds (distance) C4'-P energy: -18.652
bonds (distance) P-C4' energy: -22.945
flat angles C4'-P-C4' energy: -21.613
flat angles P-C4'-P energy: -18.685
tors. eta vs tors. theta energy: -29.732
Dist. restrs. and SS energy: 1.354 (S_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: 410
Temperature: 1.050000
Total energy: -346.239613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.239613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.820118 (E_RNA)
where:
Base-Base interactions energy: -238.352
where: short stacking energy: -93.624
Base-Backbone interact. energy: -0.833
local terms energy: -108.635559
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -24.881
flat angles C4'-P-C4' energy: -23.992
flat angles P-C4'-P energy: -16.090
tors. eta vs tors. theta energy: -26.046
Dist. restrs. and SS energy: 1.581 (S_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: 410
Temperature: 1.100000
Total energy: -287.461657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.461657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.491888 (E_RNA)
where:
Base-Base interactions energy: -181.814
where: short stacking energy: -81.912
Base-Backbone interact. energy: -0.604
local terms energy: -109.073525
where:
bonds (distance) C4'-P energy: -17.942
bonds (distance) P-C4' energy: -23.592
flat angles C4'-P-C4' energy: -24.930
flat angles P-C4'-P energy: -19.930
tors. eta vs tors. theta energy: -22.680
Dist. restrs. and SS energy: 4.030 (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: 410
Temperature: 1.150000
Total energy: -272.772705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.772705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.743871 (E_RNA)
where:
Base-Base interactions energy: -182.365
where: short stacking energy: -68.438
Base-Backbone interact. energy: 1.079
local terms energy: -92.458292
where:
bonds (distance) C4'-P energy: -25.154
bonds (distance) P-C4' energy: -18.863
flat angles C4'-P-C4' energy: -19.455
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -17.756
Dist. restrs. and SS energy: 0.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -231.873890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.873890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.635688 (E_RNA)
where:
Base-Base interactions energy: -153.882
where: short stacking energy: -68.593
Base-Backbone interact. energy: -1.828
local terms energy: -85.925855
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -19.945
flat angles C4'-P-C4' energy: -20.625
flat angles P-C4'-P energy: -14.004
tors. eta vs tors. theta energy: -15.936
Dist. restrs. and SS energy: 9.762 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -229.746996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.746996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.727668 (E_RNA)
where:
Base-Base interactions energy: -146.576
where: short stacking energy: -60.706
Base-Backbone interact. energy: -0.256
local terms energy: -87.895635
where:
bonds (distance) C4'-P energy: -21.091
bonds (distance) P-C4' energy: -21.946
flat angles C4'-P-C4' energy: -19.206
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -15.801
Dist. restrs. and SS energy: 4.981 (S_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: 410
Temperature: 1.300000
Total energy: -247.544811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.544811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.995191 (E_RNA)
where:
Base-Base interactions energy: -168.169
where: short stacking energy: -73.741
Base-Backbone interact. energy: -0.843
local terms energy: -80.983488
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -18.173
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -20.344
Dist. restrs. and SS energy: 2.450 (S_DIST_RNA)
chem. 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: -225.076143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.076143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.186896 (E_RNA)
where:
Base-Base interactions energy: -149.486
where: short stacking energy: -58.493
Base-Backbone interact. energy: -0.529
local terms energy: -77.171192
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -18.538
flat angles P-C4'-P energy: -14.721
tors. eta vs tors. theta energy: -13.132
Dist. restrs. and SS energy: 2.111 (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: 9
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -372.171205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.171205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.349027 (E_RNA)
where:
Base-Base interactions energy: -265.770
where: short stacking energy: -95.603
Base-Backbone interact. energy: -0.567
local terms energy: -107.012187
where:
bonds (distance) C4'-P energy: -21.334
bonds (distance) P-C4' energy: -24.179
flat angles C4'-P-C4' energy: -21.244
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -26.155
Dist. restrs. and SS energy: 1.178 (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: 6
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -362.230878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.230878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.300393 (E_RNA)
where:
Base-Base interactions energy: -254.975
where: short stacking energy: -102.968
Base-Backbone interact. energy: -1.642
local terms energy: -105.683814
where:
bonds (distance) C4'-P energy: -23.121
bonds (distance) P-C4' energy: -22.728
flat angles C4'-P-C4' energy: -17.576
flat angles P-C4'-P energy: -14.851
tors. eta vs tors. theta energy: -27.407
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: 3, replica: 1
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -353.997969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.997969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.201043 (E_RNA)
where:
Base-Base interactions energy: -239.055
where: short stacking energy: -87.798
Base-Backbone interact. energy: -1.139
local terms energy: -114.006814
where:
bonds (distance) C4'-P energy: -22.449
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -21.560
flat angles P-C4'-P energy: -21.119
tors. eta vs tors. theta energy: -26.722
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: 2
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -335.644420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.644420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.438206 (E_RNA)
where:
Base-Base interactions energy: -228.570
where: short stacking energy: -86.070
Base-Backbone interact. energy: -1.287
local terms energy: -106.581136
where:
bonds (distance) C4'-P energy: -24.850
bonds (distance) P-C4' energy: -20.943
flat angles C4'-P-C4' energy: -24.507
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -22.218
Dist. restrs. and SS energy: 0.794 (S_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: 411
Temperature: 1.100000
Total energy: -283.588506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.588506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.943904 (E_RNA)
where:
Base-Base interactions energy: -198.304
where: short stacking energy: -82.954
Base-Backbone interact. energy: -0.263
local terms energy: -89.377441
where:
bonds (distance) C4'-P energy: -16.469
bonds (distance) P-C4' energy: -21.317
flat angles C4'-P-C4' energy: -20.084
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: -18.781
Dist. restrs. and SS energy: 4.355 (S_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: -250.157006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.157006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.109837 (E_RNA)
where:
Base-Base interactions energy: -173.998
where: short stacking energy: -77.219
Base-Backbone interact. energy: -0.403
local terms energy: -77.708343
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -21.505
flat angles C4'-P-C4' energy: -17.529
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -13.529
Dist. restrs. and SS energy: 1.953 (S_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: 411
Temperature: 1.200000
Total energy: -283.837797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.837797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.304044 (E_RNA)
where:
Base-Base interactions energy: -184.136
where: short stacking energy: -74.804
Base-Backbone interact. energy: 1.576
local terms energy: -101.744266
where:
bonds (distance) C4'-P energy: -25.931
bonds (distance) P-C4' energy: -22.226
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -15.534
tors. eta vs tors. theta energy: -22.661
Dist. restrs. and SS energy: 0.466 (S_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: 411
Temperature: 1.250000
Total energy: -263.916931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.916931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.616114 (E_RNA)
where:
Base-Base interactions energy: -171.800
where: short stacking energy: -74.789
Base-Backbone interact. energy: -0.214
local terms energy: -95.602613
where:
bonds (distance) C4'-P energy: -21.908
bonds (distance) P-C4' energy: -23.918
flat angles C4'-P-C4' energy: -17.914
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -19.455
Dist. restrs. and SS energy: 3.699 (S_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: 411
Temperature: 1.300000
Total energy: -261.547478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.547478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.297720 (E_RNA)
where:
Base-Base interactions energy: -184.677
where: short stacking energy: -74.504
Base-Backbone interact. energy: -0.326
local terms energy: -82.294467
where:
bonds (distance) C4'-P energy: -9.918
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -23.144
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -20.159
Dist. restrs. and SS energy: 5.750 (S_DIST_RNA)
chem. 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: -241.135789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.135789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.491728 (E_RNA)
where:
Base-Base interactions energy: -171.470
where: short stacking energy: -62.287
Base-Backbone interact. energy: 1.202
local terms energy: -71.223644
where:
bonds (distance) C4'-P energy: -18.276
bonds (distance) P-C4' energy: -10.778
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: -12.447
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: 1, replica: 9
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -367.048596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.048596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.493180 (E_RNA)
where:
Base-Base interactions energy: -251.537
where: short stacking energy: -96.273
Base-Backbone interact. energy: -0.561
local terms energy: -115.395009
where:
bonds (distance) C4'-P energy: -25.573
bonds (distance) P-C4' energy: -25.187
flat angles C4'-P-C4' energy: -23.682
flat angles P-C4'-P energy: -14.093
tors. eta vs tors. theta energy: -26.860
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: 6
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -361.805803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.805803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.029443 (E_RNA)
where:
Base-Base interactions energy: -254.262
where: short stacking energy: -91.548
Base-Backbone interact. energy: -0.499
local terms energy: -108.267839
where:
bonds (distance) C4'-P energy: -26.387
bonds (distance) P-C4' energy: -21.673
flat angles C4'-P-C4' energy: -18.885
flat angles P-C4'-P energy: -16.122
tors. eta vs tors. theta energy: -25.201
Dist. restrs. and SS energy: 1.224 (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: 1
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -362.162362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.162362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.485000 (E_RNA)
where:
Base-Base interactions energy: -254.489
where: short stacking energy: -96.466
Base-Backbone interact. energy: -0.440
local terms energy: -108.556267
where:
bonds (distance) C4'-P energy: -23.862
bonds (distance) P-C4' energy: -22.192
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -16.292
tors. eta vs tors. theta energy: -28.305
Dist. restrs. and SS energy: 1.323 (S_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: 412
Temperature: 1.050000
Total energy: -336.655718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.655718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.691842 (E_RNA)
where:
Base-Base interactions energy: -231.710
where: short stacking energy: -88.241
Base-Backbone interact. energy: -0.807
local terms energy: -105.174863
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -23.190
flat angles C4'-P-C4' energy: -24.455
flat angles P-C4'-P energy: -17.143
tors. eta vs tors. theta energy: -23.821
Dist. restrs. and SS energy: 1.036 (S_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: 412
Temperature: 1.100000
Total energy: -295.575417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.575417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.465785 (E_RNA)
where:
Base-Base interactions energy: -192.533
where: short stacking energy: -79.085
Base-Backbone interact. energy: -0.915
local terms energy: -104.018102
where:
bonds (distance) C4'-P energy: -20.529
bonds (distance) P-C4' energy: -24.759
flat angles C4'-P-C4' energy: -21.207
flat angles P-C4'-P energy: -14.311
tors. eta vs tors. theta energy: -23.212
Dist. restrs. and SS energy: 1.890 (S_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: -280.005031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.005031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.458710 (E_RNA)
where:
Base-Base interactions energy: -189.892
where: short stacking energy: -79.491
Base-Backbone interact. energy: -0.825
local terms energy: -89.740939
where:
bonds (distance) C4'-P energy: -19.932
bonds (distance) P-C4' energy: -20.903
flat angles C4'-P-C4' energy: -19.484
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -18.095
Dist. restrs. and SS energy: 0.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -281.231907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.231907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.004500 (E_RNA)
where:
Base-Base interactions energy: -192.963
where: short stacking energy: -80.255
Base-Backbone interact. energy: -0.473
local terms energy: -89.568082
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -17.251
flat angles C4'-P-C4' energy: -19.598
flat angles P-C4'-P energy: -15.658
tors. eta vs tors. theta energy: -20.196
Dist. restrs. and SS energy: 1.773 (S_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: 412
Temperature: 1.250000
Total energy: -247.145469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.145469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.430641 (E_RNA)
where:
Base-Base interactions energy: -160.128
where: short stacking energy: -60.019
Base-Backbone interact. energy: -0.710
local terms energy: -89.592898
where:
bonds (distance) C4'-P energy: -20.519
bonds (distance) P-C4' energy: -25.669
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -13.679
tors. eta vs tors. theta energy: -12.565
Dist. restrs. and SS energy: 3.285 (S_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: -262.298279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.298279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.408992 (E_RNA)
where:
Base-Base interactions energy: -178.334
where: short stacking energy: -53.868
Base-Backbone interact. energy: 3.133
local terms energy: -87.207689
where:
bonds (distance) C4'-P energy: -22.074
bonds (distance) P-C4' energy: -23.624
flat angles C4'-P-C4' energy: -18.484
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -9.989
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: 8
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -255.067257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.067257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.586444 (E_RNA)
where:
Base-Base interactions energy: -181.672
where: short stacking energy: -66.912
Base-Backbone interact. energy: -0.082
local terms energy: -74.833039
where:
bonds (distance) C4'-P energy: -19.048
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -21.390
flat angles P-C4'-P energy: -3.350
tors. eta vs tors. theta energy: -15.783
Dist. restrs. and SS energy: 1.519 (S_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: 413
Temperature: 0.900000
Total energy: -370.760620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.760620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.197140 (E_RNA)
where:
Base-Base interactions energy: -255.036
where: short stacking energy: -93.342
Base-Backbone interact. energy: -0.718
local terms energy: -116.443733
where:
bonds (distance) C4'-P energy: -21.833
bonds (distance) P-C4' energy: -25.734
flat angles C4'-P-C4' energy: -22.171
flat angles P-C4'-P energy: -20.200
tors. eta vs tors. theta energy: -26.506
Dist. restrs. and SS energy: 1.437 (S_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: 413
Temperature: 0.950000
Total energy: -360.057324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.057324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.291810 (E_RNA)
where:
Base-Base interactions energy: -250.099
where: short stacking energy: -92.941
Base-Backbone interact. energy: 0.692
local terms energy: -111.883939
where:
bonds (distance) C4'-P energy: -22.807
bonds (distance) P-C4' energy: -24.194
flat angles C4'-P-C4' energy: -19.364
flat angles P-C4'-P energy: -19.914
tors. eta vs tors. theta energy: -25.605
Dist. restrs. and SS energy: 1.234 (S_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: 413
Temperature: 1.000000
Total energy: -368.076420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.076420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.970739 (E_RNA)
where:
Base-Base interactions energy: -251.389
where: short stacking energy: -100.267
Base-Backbone interact. energy: -0.854
local terms energy: -116.727640
where:
bonds (distance) C4'-P energy: -25.561
bonds (distance) P-C4' energy: -20.751
flat angles C4'-P-C4' energy: -23.212
flat angles P-C4'-P energy: -18.042
tors. eta vs tors. theta energy: -29.163
Dist. restrs. and SS energy: 0.894 (S_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: 413
Temperature: 1.050000
Total energy: -350.837511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.837511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.973540 (E_RNA)
where:
Base-Base interactions energy: -241.530
where: short stacking energy: -98.133
Base-Backbone interact. energy: -0.499
local terms energy: -110.944328
where:
bonds (distance) C4'-P energy: -24.636
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -22.713
flat angles P-C4'-P energy: -19.872
tors. eta vs tors. theta energy: -30.079
Dist. restrs. and SS energy: 2.136 (S_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: 413
Temperature: 1.100000
Total energy: -288.914187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.914187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.587305 (E_RNA)
where:
Base-Base interactions energy: -186.665
where: short stacking energy: -91.573
Base-Backbone interact. energy: 0.053
local terms energy: -106.974887
where:
bonds (distance) C4'-P energy: -24.669
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -25.269
flat angles P-C4'-P energy: -15.469
tors. eta vs tors. theta energy: -24.775
Dist. restrs. and SS energy: 4.673 (S_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: 413
Temperature: 1.150000
Total energy: -289.029986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.029986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.029986 (E_RNA)
where:
Base-Base interactions energy: -195.649
where: short stacking energy: -65.358
Base-Backbone interact. energy: -0.270
local terms energy: -93.111407
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -22.118
flat angles C4'-P-C4' energy: -22.026
flat angles P-C4'-P energy: -16.108
tors. eta vs tors. theta energy: -14.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -268.279154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.279154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.781191 (E_RNA)
where:
Base-Base interactions energy: -177.007
where: short stacking energy: -78.319
Base-Backbone interact. energy: -0.360
local terms energy: -94.414492
where:
bonds (distance) C4'-P energy: -24.892
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -21.898
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -20.962
Dist. restrs. and SS energy: 3.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -256.368497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.368497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.786664 (E_RNA)
where:
Base-Base interactions energy: -159.885
where: short stacking energy: -68.910
Base-Backbone interact. energy: 0.503
local terms energy: -97.404317
where:
bonds (distance) C4'-P energy: -24.020
bonds (distance) P-C4' energy: -21.820
flat angles C4'-P-C4' energy: -21.757
flat angles P-C4'-P energy: -16.362
tors. eta vs tors. theta energy: -13.446
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: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -245.175522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.175522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.863414 (E_RNA)
where:
Base-Base interactions energy: -167.592
where: short stacking energy: -66.812
Base-Backbone interact. energy: -0.321
local terms energy: -77.950506
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -23.487
flat angles C4'-P-C4' energy: -19.794
flat angles P-C4'-P energy: -13.495
tors. eta vs tors. theta energy: -9.459
Dist. restrs. and SS energy: 0.688 (S_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: 413
Temperature: 1.350000
Total energy: -258.840158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.840158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.270725 (E_RNA)
where:
Base-Base interactions energy: -180.166
where: short stacking energy: -68.791
Base-Backbone interact. energy: -0.209
local terms energy: -78.895593
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -19.132
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -11.969
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: 1, replica: 9
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -380.308499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.308499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.977144 (E_RNA)
where:
Base-Base interactions energy: -259.728
where: short stacking energy: -101.673
Base-Backbone interact. energy: -0.597
local terms energy: -121.651953
where:
bonds (distance) C4'-P energy: -22.347
bonds (distance) P-C4' energy: -24.327
flat angles C4'-P-C4' energy: -24.895
flat angles P-C4'-P energy: -20.082
tors. eta vs tors. theta energy: -30.001
Dist. restrs. and SS energy: 1.669 (S_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: 414
Temperature: 0.950000
Total energy: -370.456388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.456388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.703445 (E_RNA)
where:
Base-Base interactions energy: -259.751
where: short stacking energy: -98.508
Base-Backbone interact. energy: -1.009
local terms energy: -110.943027
where:
bonds (distance) C4'-P energy: -20.027
bonds (distance) P-C4' energy: -24.759
flat angles C4'-P-C4' energy: -21.143
flat angles P-C4'-P energy: -15.589
tors. eta vs tors. theta energy: -29.424
Dist. restrs. and SS energy: 1.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -357.216166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.216166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.767719 (E_RNA)
where:
Base-Base interactions energy: -247.209
where: short stacking energy: -97.033
Base-Backbone interact. energy: -0.356
local terms energy: -111.202521
where:
bonds (distance) C4'-P energy: -17.667
bonds (distance) P-C4' energy: -22.808
flat angles C4'-P-C4' energy: -24.009
flat angles P-C4'-P energy: -14.404
tors. eta vs tors. theta energy: -32.313
Dist. restrs. and SS energy: 1.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -347.948243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.948243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.635088 (E_RNA)
where:
Base-Base interactions energy: -237.379
where: short stacking energy: -94.202
Base-Backbone interact. energy: 2.176
local terms energy: -113.431303
where:
bonds (distance) C4'-P energy: -21.159
bonds (distance) P-C4' energy: -22.929
flat angles C4'-P-C4' energy: -20.486
flat angles P-C4'-P energy: -19.854
tors. eta vs tors. theta energy: -29.004
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: 5, replica: 3
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -305.955502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.955502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.458066 (E_RNA)
where:
Base-Base interactions energy: -204.035
where: short stacking energy: -78.011
Base-Backbone interact. energy: -0.885
local terms energy: -101.538898
where:
bonds (distance) C4'-P energy: -22.542
bonds (distance) P-C4' energy: -26.359
flat angles C4'-P-C4' energy: -18.148
flat angles P-C4'-P energy: -15.172
tors. eta vs tors. theta energy: -19.318
Dist. restrs. and SS energy: 0.503 (S_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: 414
Temperature: 1.150000
Total energy: -267.561502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.561502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.688435 (E_RNA)
where:
Base-Base interactions energy: -176.671
where: short stacking energy: -72.624
Base-Backbone interact. energy: -0.212
local terms energy: -90.805574
where:
bonds (distance) C4'-P energy: -21.600
bonds (distance) P-C4' energy: -22.213
flat angles C4'-P-C4' energy: -20.806
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -16.293
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: 10
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -274.879896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.879896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.612344 (E_RNA)
where:
Base-Base interactions energy: -186.189
where: short stacking energy: -71.301
Base-Backbone interact. energy: -0.068
local terms energy: -90.354960
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -24.520
flat angles C4'-P-C4' energy: -20.482
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -17.228
Dist. restrs. and SS energy: 1.732 (S_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: 414
Temperature: 1.250000
Total energy: -243.235330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.235330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.524418 (E_RNA)
where:
Base-Base interactions energy: -159.731
where: short stacking energy: -76.500
Base-Backbone interact. energy: -0.526
local terms energy: -83.267906
where:
bonds (distance) C4'-P energy: -19.552
bonds (distance) P-C4' energy: -20.467
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -16.921
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: 9, replica: 8
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -252.731613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.731613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.268092 (E_RNA)
where:
Base-Base interactions energy: -174.486
where: short stacking energy: -73.386
Base-Backbone interact. energy: -0.991
local terms energy: -79.790888
where:
bonds (distance) C4'-P energy: -23.295
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -18.483
Dist. restrs. and SS energy: 2.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -249.206749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.206749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.678501 (E_RNA)
where:
Base-Base interactions energy: -169.157
where: short stacking energy: -82.229
Base-Backbone interact. energy: -0.443
local terms energy: -86.078120
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -18.772
flat angles P-C4'-P energy: -15.661
tors. eta vs tors. theta energy: -19.137
Dist. restrs. and SS energy: 6.472 (S_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: 415
Temperature: 0.900000
Total energy: -369.878594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.878594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.964232 (E_RNA)
where:
Base-Base interactions energy: -245.969
where: short stacking energy: -103.450
Base-Backbone interact. energy: -0.939
local terms energy: -124.056601
where:
bonds (distance) C4'-P energy: -23.837
bonds (distance) P-C4' energy: -24.397
flat angles C4'-P-C4' energy: -26.616
flat angles P-C4'-P energy: -15.462
tors. eta vs tors. theta energy: -33.745
Dist. restrs. and SS energy: 1.086 (S_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: 415
Temperature: 0.950000
Total energy: -358.806200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.806200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.710248 (E_RNA)
where:
Base-Base interactions energy: -259.982
where: short stacking energy: -98.505
Base-Backbone interact. energy: -1.023
local terms energy: -99.705630
where:
bonds (distance) C4'-P energy: -20.702
bonds (distance) P-C4' energy: -20.122
flat angles C4'-P-C4' energy: -18.933
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -27.842
Dist. restrs. and SS energy: 1.904 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -348.692402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.692402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.285052 (E_RNA)
where:
Base-Base interactions energy: -244.853
where: short stacking energy: -98.564
Base-Backbone interact. energy: -0.508
local terms energy: -104.923467
where:
bonds (distance) C4'-P energy: -18.107
bonds (distance) P-C4' energy: -18.683
flat angles C4'-P-C4' energy: -22.287
flat angles P-C4'-P energy: -18.044
tors. eta vs tors. theta energy: -27.802
Dist. restrs. and SS energy: 1.593 (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: 6
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -336.979038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.979038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.777450 (E_RNA)
where:
Base-Base interactions energy: -246.718
where: short stacking energy: -89.775
Base-Backbone interact. energy: -2.056
local terms energy: -89.003723
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -23.100
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -25.182
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: 415
Temperature: 1.100000
Total energy: -284.140455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.140455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.149112 (E_RNA)
where:
Base-Base interactions energy: -187.229
where: short stacking energy: -83.640
Base-Backbone interact. energy: -0.313
local terms energy: -99.607459
where:
bonds (distance) C4'-P energy: -21.965
bonds (distance) P-C4' energy: -23.834
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -14.627
tors. eta vs tors. theta energy: -21.123
Dist. restrs. and SS energy: 3.009 (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: 10
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -299.520538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.520538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.669597 (E_RNA)
where:
Base-Base interactions energy: -208.760
where: short stacking energy: -92.542
Base-Backbone interact. energy: -1.673
local terms energy: -94.236428
where:
bonds (distance) C4'-P energy: -20.066
bonds (distance) P-C4' energy: -25.491
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -4.846
tors. eta vs tors. theta energy: -26.058
Dist. restrs. and SS energy: 5.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -272.737228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.737228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.752275 (E_RNA)
where:
Base-Base interactions energy: -181.023
where: short stacking energy: -72.462
Base-Backbone interact. energy: -0.636
local terms energy: -91.092622
where:
bonds (distance) C4'-P energy: -22.805
bonds (distance) P-C4' energy: -22.301
flat angles C4'-P-C4' energy: -19.894
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -15.018
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: 4
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -244.007947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.007947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.328186 (E_RNA)
where:
Base-Base interactions energy: -171.590
where: short stacking energy: -72.021
Base-Backbone interact. energy: -0.647
local terms energy: -75.091031
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -22.443
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -12.050
Dist. restrs. and SS energy: 3.320 (S_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: 415
Temperature: 1.300000
Total energy: -253.951723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.951723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.262828 (E_RNA)
where:
Base-Base interactions energy: -174.827
where: short stacking energy: -61.815
Base-Backbone interact. energy: -0.482
local terms energy: -79.953012
where:
bonds (distance) C4'-P energy: -23.030
bonds (distance) P-C4' energy: -17.416
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -14.274
Dist. restrs. and SS energy: 1.311 (S_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: 415
Temperature: 1.350000
Total energy: -223.819052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.819052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.247825 (E_RNA)
where:
Base-Base interactions energy: -148.512
where: short stacking energy: -59.570
Base-Backbone interact. energy: 1.157
local terms energy: -80.893480
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -21.247
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -15.941
Dist. restrs. and SS energy: 4.429 (S_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: 416
Temperature: 0.900000
Total energy: -362.983254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.983254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.442025 (E_RNA)
where:
Base-Base interactions energy: -255.487
where: short stacking energy: -96.005
Base-Backbone interact. energy: -1.055
local terms energy: -107.900122
where:
bonds (distance) C4'-P energy: -18.253
bonds (distance) P-C4' energy: -21.147
flat angles C4'-P-C4' energy: -23.957
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -30.770
Dist. restrs. and SS energy: 1.459 (S_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: 416
Temperature: 0.950000
Total energy: -368.491785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.491785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.310481 (E_RNA)
where:
Base-Base interactions energy: -264.303
where: short stacking energy: -100.461
Base-Backbone interact. energy: -0.857
local terms energy: -104.150927
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -23.237
flat angles P-C4'-P energy: -15.468
tors. eta vs tors. theta energy: -28.731
Dist. restrs. and SS energy: 0.819 (S_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: -340.414605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.414605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.565500 (E_RNA)
where:
Base-Base interactions energy: -233.046
where: short stacking energy: -83.623
Base-Backbone interact. energy: -2.478
local terms energy: -105.041056
where:
bonds (distance) C4'-P energy: -23.100
bonds (distance) P-C4' energy: -19.152
flat angles C4'-P-C4' energy: -22.957
flat angles P-C4'-P energy: -17.151
tors. eta vs tors. theta energy: -22.680
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: 2
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -342.112947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.112947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.415608 (E_RNA)
where:
Base-Base interactions energy: -239.998
where: short stacking energy: -100.122
Base-Backbone interact. energy: -0.475
local terms energy: -102.943264
where:
bonds (distance) C4'-P energy: -21.439
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -23.523
flat angles P-C4'-P energy: -16.086
tors. eta vs tors. theta energy: -24.494
Dist. restrs. and SS energy: 1.303 (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: 3
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -278.113659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.113659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.291723 (E_RNA)
where:
Base-Base interactions energy: -189.272
where: short stacking energy: -79.983
Base-Backbone interact. energy: -0.747
local terms energy: -93.273085
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -20.314
flat angles C4'-P-C4' energy: -23.392
flat angles P-C4'-P energy: -15.175
tors. eta vs tors. theta energy: -19.594
Dist. restrs. and SS energy: 5.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -267.619280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.619280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.807837 (E_RNA)
where:
Base-Base interactions energy: -181.598
where: short stacking energy: -70.657
Base-Backbone interact. energy: -0.701
local terms energy: -90.509088
where:
bonds (distance) C4'-P energy: -22.723
bonds (distance) P-C4' energy: -20.873
flat angles C4'-P-C4' energy: -19.099
flat angles P-C4'-P energy: -15.040
tors. eta vs tors. theta energy: -12.774
Dist. restrs. and SS energy: 5.189 (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: 5
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -278.798977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.798977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.999261 (E_RNA)
where:
Base-Base interactions energy: -191.247
where: short stacking energy: -90.339
Base-Backbone interact. energy: -0.260
local terms energy: -87.491567
where:
bonds (distance) C4'-P energy: -15.003
bonds (distance) P-C4' energy: -22.814
flat angles C4'-P-C4' energy: -20.810
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -17.394
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: 8, replica: 4
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -254.771711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.771711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.774164 (E_RNA)
where:
Base-Base interactions energy: -167.753
where: short stacking energy: -70.514
Base-Backbone interact. energy: -1.398
local terms energy: -91.622577
where:
bonds (distance) C4'-P energy: -23.353
bonds (distance) P-C4' energy: -17.898
flat angles C4'-P-C4' energy: -23.095
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -14.257
Dist. restrs. and SS energy: 6.002 (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: 8
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -223.089722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.089722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.560058 (E_RNA)
where:
Base-Base interactions energy: -150.435
where: short stacking energy: -59.905
Base-Backbone interact. energy: -0.649
local terms energy: -73.475144
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -24.617
flat angles P-C4'-P energy: -4.513
tors. eta vs tors. theta energy: -9.598
Dist. restrs. and SS energy: 1.470 (S_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: 416
Temperature: 1.350000
Total energy: -222.512774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.512774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.608324 (E_RNA)
where:
Base-Base interactions energy: -155.249
where: short stacking energy: -61.545
Base-Backbone interact. energy: 0.035
local terms energy: -70.395047
where:
bonds (distance) C4'-P energy: -17.884
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -18.197
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -9.736
Dist. restrs. and SS energy: 3.096 (S_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: 417
Temperature: 0.900000
Total energy: -366.097973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.097973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.234817 (E_RNA)
where:
Base-Base interactions energy: -251.071
where: short stacking energy: -100.998
Base-Backbone interact. energy: -1.284
local terms energy: -114.879949
where:
bonds (distance) C4'-P energy: -23.423
bonds (distance) P-C4' energy: -20.284
flat angles C4'-P-C4' energy: -22.577
flat angles P-C4'-P energy: -19.827
tors. eta vs tors. theta energy: -28.769
Dist. restrs. and SS energy: 1.137 (S_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: 417
Temperature: 0.950000
Total energy: -373.793311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.793311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.414801 (E_RNA)
where:
Base-Base interactions energy: -267.641
where: short stacking energy: -102.660
Base-Backbone interact. energy: -0.531
local terms energy: -107.242742
where:
bonds (distance) C4'-P energy: -18.954
bonds (distance) P-C4' energy: -20.951
flat angles C4'-P-C4' energy: -18.822
flat angles P-C4'-P energy: -18.348
tors. eta vs tors. theta energy: -30.168
Dist. restrs. and SS energy: 1.621 (S_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: -346.321755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.321755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.690936 (E_RNA)
where:
Base-Base interactions energy: -241.859
where: short stacking energy: -102.397
Base-Backbone interact. energy: -0.464
local terms energy: -104.367293
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -21.908
flat angles C4'-P-C4' energy: -21.872
flat angles P-C4'-P energy: -16.894
tors. eta vs tors. theta energy: -29.862
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: 4, replica: 3
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -308.207371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.207371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.635488 (E_RNA)
where:
Base-Base interactions energy: -212.325
where: short stacking energy: -91.430
Base-Backbone interact. energy: -0.467
local terms energy: -96.843500
where:
bonds (distance) C4'-P energy: -19.259
bonds (distance) P-C4' energy: -14.717
flat angles C4'-P-C4' energy: -22.893
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -27.473
Dist. restrs. and SS energy: 1.428 (S_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: 417
Temperature: 1.100000
Total energy: -332.476614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.476614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.488753 (E_RNA)
where:
Base-Base interactions energy: -228.051
where: short stacking energy: -85.832
Base-Backbone interact. energy: -0.292
local terms energy: -105.145048
where:
bonds (distance) C4'-P energy: -21.594
bonds (distance) P-C4' energy: -21.628
flat angles C4'-P-C4' energy: -23.857
flat angles P-C4'-P energy: -13.833
tors. eta vs tors. theta energy: -24.233
Dist. restrs. and SS energy: 1.012 (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: 5
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -296.880005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.880005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.919729 (E_RNA)
where:
Base-Base interactions energy: -192.626
where: short stacking energy: -79.595
Base-Backbone interact. energy: -0.222
local terms energy: -104.072623
where:
bonds (distance) C4'-P energy: -25.952
bonds (distance) P-C4' energy: -20.032
flat angles C4'-P-C4' energy: -19.914
flat angles P-C4'-P energy: -15.434
tors. eta vs tors. theta energy: -22.741
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: 10
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -246.218806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.218806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.756240 (E_RNA)
where:
Base-Base interactions energy: -174.573
where: short stacking energy: -70.506
Base-Backbone interact. energy: -0.525
local terms energy: -80.658545
where:
bonds (distance) C4'-P energy: -19.265
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -22.859
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -16.255
Dist. restrs. and SS energy: 9.537 (S_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: 417
Temperature: 1.250000
Total energy: -264.038125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.038125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.970765 (E_RNA)
where:
Base-Base interactions energy: -182.822
where: short stacking energy: -79.266
Base-Backbone interact. energy: -0.455
local terms energy: -83.693601
where:
bonds (distance) C4'-P energy: -23.610
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -20.931
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -12.151
Dist. restrs. and SS energy: 2.933 (S_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: 417
Temperature: 1.300000
Total energy: -232.183580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.183580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.530858 (E_RNA)
where:
Base-Base interactions energy: -159.601
where: short stacking energy: -56.014
Base-Backbone interact. energy: 0.941
local terms energy: -73.870497
where:
bonds (distance) C4'-P energy: -19.585
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -21.949
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -8.803
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: 10, replica: 7
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -227.465354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.465354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.473649 (E_RNA)
where:
Base-Base interactions energy: -148.180
where: short stacking energy: -61.342
Base-Backbone interact. energy: -0.375
local terms energy: -83.918797
where:
bonds (distance) C4'-P energy: -17.635
bonds (distance) P-C4' energy: -22.252
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -13.522
tors. eta vs tors. theta energy: -13.472
Dist. restrs. and SS energy: 5.008 (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: 9
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -371.375760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.375760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.808091 (E_RNA)
where:
Base-Base interactions energy: -258.353
where: short stacking energy: -94.499
Base-Backbone interact. energy: -1.856
local terms energy: -112.599596
where:
bonds (distance) C4'-P energy: -18.140
bonds (distance) P-C4' energy: -26.477
flat angles C4'-P-C4' energy: -24.065
flat angles P-C4'-P energy: -19.861
tors. eta vs tors. theta energy: -24.057
Dist. restrs. and SS energy: 1.432 (S_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: 418
Temperature: 0.950000
Total energy: -367.131472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.131472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.205361 (E_RNA)
where:
Base-Base interactions energy: -257.132
where: short stacking energy: -97.076
Base-Backbone interact. energy: 1.725
local terms energy: -111.799238
where:
bonds (distance) C4'-P energy: -20.695
bonds (distance) P-C4' energy: -23.911
flat angles C4'-P-C4' energy: -25.007
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -28.764
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: 6
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -348.174817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.174817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.851912 (E_RNA)
where:
Base-Base interactions energy: -236.211
where: short stacking energy: -87.638
Base-Backbone interact. energy: 0.493
local terms energy: -113.134010
where:
bonds (distance) C4'-P energy: -23.001
bonds (distance) P-C4' energy: -23.331
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -19.767
tors. eta vs tors. theta energy: -25.346
Dist. restrs. and SS energy: 0.677 (S_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: 418
Temperature: 1.050000
Total energy: -282.116255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.116255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.837129 (E_RNA)
where:
Base-Base interactions energy: -185.062
where: short stacking energy: -79.132
Base-Backbone interact. energy: -0.210
local terms energy: -98.565577
where:
bonds (distance) C4'-P energy: -23.381
bonds (distance) P-C4' energy: -22.281
flat angles C4'-P-C4' energy: -21.009
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -19.268
Dist. restrs. and SS energy: 1.721 (S_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: 418
Temperature: 1.100000
Total energy: -340.012639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.012639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.772467 (E_RNA)
where:
Base-Base interactions energy: -240.559
where: short stacking energy: -94.257
Base-Backbone interact. energy: 0.737
local terms energy: -100.950375
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -19.579
flat angles C4'-P-C4' energy: -24.874
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -28.710
Dist. restrs. and SS energy: 0.760 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -283.930885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.930885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.990518 (E_RNA)
where:
Base-Base interactions energy: -192.366
where: short stacking energy: -72.101
Base-Backbone interact. energy: 0.332
local terms energy: -91.956203
where:
bonds (distance) C4'-P energy: -22.409
bonds (distance) P-C4' energy: -23.229
flat angles C4'-P-C4' energy: -23.002
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -14.875
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: 7, replica: 4
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -280.002228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.002228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.239621 (E_RNA)
where:
Base-Base interactions energy: -199.707
where: short stacking energy: -78.158
Base-Backbone interact. energy: -1.037
local terms energy: -79.495684
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -23.445
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -14.667
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: 8, replica: 10
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -272.123638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.123638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.110552 (E_RNA)
where:
Base-Base interactions energy: -187.983
where: short stacking energy: -66.281
Base-Backbone interact. energy: -0.781
local terms energy: -84.346325
where:
bonds (distance) C4'-P energy: -15.968
bonds (distance) P-C4' energy: -22.861
flat angles C4'-P-C4' energy: -20.631
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -14.728
Dist. restrs. and SS energy: 0.987 (S_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: 418
Temperature: 1.300000
Total energy: -220.543347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.543347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.327702 (E_RNA)
where:
Base-Base interactions energy: -138.488
where: short stacking energy: -63.814
Base-Backbone interact. energy: -0.752
local terms energy: -88.087403
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -25.872
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -18.110
Dist. restrs. and SS energy: 6.784 (S_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: 418
Temperature: 1.350000
Total energy: -219.608773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.608773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.979010 (E_RNA)
where:
Base-Base interactions energy: -144.162
where: short stacking energy: -45.059
Base-Backbone interact. energy: -0.549
local terms energy: -76.268146
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -22.167
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -16.379
tors. eta vs tors. theta energy: -4.440
Dist. restrs. and SS energy: 1.370 (S_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: 419
Temperature: 0.900000
Total energy: -369.063691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.063691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.305074 (E_RNA)
where:
Base-Base interactions energy: -260.019
where: short stacking energy: -97.958
Base-Backbone interact. energy: -0.667
local terms energy: -109.618797
where:
bonds (distance) C4'-P energy: -20.122
bonds (distance) P-C4' energy: -21.132
flat angles C4'-P-C4' energy: -25.961
flat angles P-C4'-P energy: -14.048
tors. eta vs tors. theta energy: -28.356
Dist. restrs. and SS energy: 1.241 (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: 1
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -365.081683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.081683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.388747 (E_RNA)
where:
Base-Base interactions energy: -243.685
where: short stacking energy: -89.549
Base-Backbone interact. energy: -2.825
local terms energy: -118.878987
where:
bonds (distance) C4'-P energy: -23.928
bonds (distance) P-C4' energy: -24.362
flat angles C4'-P-C4' energy: -21.369
flat angles P-C4'-P energy: -17.320
tors. eta vs tors. theta energy: -31.900
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: 6
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -342.396454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.396454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.101638 (E_RNA)
where:
Base-Base interactions energy: -243.390
where: short stacking energy: -100.909
Base-Backbone interact. energy: -0.681
local terms energy: -100.030505
where:
bonds (distance) C4'-P energy: -18.743
bonds (distance) P-C4' energy: -21.382
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -17.376
tors. eta vs tors. theta energy: -25.934
Dist. restrs. and SS energy: 1.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -337.291330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.291330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.584623 (E_RNA)
where:
Base-Base interactions energy: -225.853
where: short stacking energy: -90.466
Base-Backbone interact. energy: -0.598
local terms energy: -112.134392
where:
bonds (distance) C4'-P energy: -23.647
bonds (distance) P-C4' energy: -18.491
flat angles C4'-P-C4' energy: -25.295
flat angles P-C4'-P energy: -18.876
tors. eta vs tors. theta energy: -25.825
Dist. restrs. and SS energy: 1.293 (S_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: 419
Temperature: 1.100000
Total energy: -268.831039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.831039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.201754 (E_RNA)
where:
Base-Base interactions energy: -173.313
where: short stacking energy: -75.277
Base-Backbone interact. energy: -1.258
local terms energy: -94.629910
where:
bonds (distance) C4'-P energy: -21.351
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -21.215
flat angles P-C4'-P energy: -15.642
tors. eta vs tors. theta energy: -18.148
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: 6, replica: 5
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -293.128827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.128827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.698404 (E_RNA)
where:
Base-Base interactions energy: -205.059
where: short stacking energy: -85.068
Base-Backbone interact. energy: -1.105
local terms energy: -87.534295
where:
bonds (distance) C4'-P energy: -17.794
bonds (distance) P-C4' energy: -20.811
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -21.788
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: 7, replica: 4
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -302.151450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.151450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.384245 (E_RNA)
where:
Base-Base interactions energy: -205.398
where: short stacking energy: -92.396
Base-Backbone interact. energy: -0.555
local terms energy: -96.431448
where:
bonds (distance) C4'-P energy: -24.463
bonds (distance) P-C4' energy: -12.625
flat angles C4'-P-C4' energy: -23.032
flat angles P-C4'-P energy: -16.660
tors. eta vs tors. theta energy: -19.653
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: 8, replica: 10
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -288.234013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.234013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.413194 (E_RNA)
where:
Base-Base interactions energy: -200.748
where: short stacking energy: -70.533
Base-Backbone interact. energy: -1.029
local terms energy: -87.636540
where:
bonds (distance) C4'-P energy: -21.056
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -17.704
tors. eta vs tors. theta energy: -16.814
Dist. restrs. and SS energy: 1.179 (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: 7
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -226.573907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.573907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.078128 (E_RNA)
where:
Base-Base interactions energy: -148.082
where: short stacking energy: -62.333
Base-Backbone interact. energy: -0.306
local terms energy: -83.690013
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -18.955
flat angles C4'-P-C4' energy: -20.062
flat angles P-C4'-P energy: -17.499
tors. eta vs tors. theta energy: -13.969
Dist. restrs. and SS energy: 5.504 (S_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: 419
Temperature: 1.350000
Total energy: -221.567200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.567200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.098113 (E_RNA)
where:
Base-Base interactions energy: -148.864
where: short stacking energy: -65.390
Base-Backbone interact. energy: 2.271
local terms energy: -78.504938
where:
bonds (distance) C4'-P energy: -23.072
bonds (distance) P-C4' energy: -19.064
flat angles C4'-P-C4' energy: -10.533
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -15.905
Dist. restrs. and SS energy: 3.531 (S_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: 420
Temperature: 0.900000
Total energy: -371.031499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.031499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.079572 (E_RNA)
where:
Base-Base interactions energy: -258.387
where: short stacking energy: -95.729
Base-Backbone interact. energy: -0.742
local terms energy: -112.950604
where:
bonds (distance) C4'-P energy: -19.611
bonds (distance) P-C4' energy: -23.507
flat angles C4'-P-C4' energy: -23.486
flat angles P-C4'-P energy: -20.057
tors. eta vs tors. theta energy: -26.289
Dist. restrs. and SS energy: 1.048 (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: 9
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -352.552097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.552097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.865217 (E_RNA)
where:
Base-Base interactions energy: -256.901
where: short stacking energy: -95.347
Base-Backbone interact. energy: -0.416
local terms energy: -96.548181
where:
bonds (distance) C4'-P energy: -22.588
bonds (distance) P-C4' energy: -21.418
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: -20.807
Dist. restrs. and SS energy: 1.313 (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: 420
Temperature: 1.000000
Total energy: -361.912799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.912799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.448871 (E_RNA)
where:
Base-Base interactions energy: -247.568
where: short stacking energy: -94.966
Base-Backbone interact. energy: -0.582
local terms energy: -115.298638
where:
bonds (distance) C4'-P energy: -21.391
bonds (distance) P-C4' energy: -21.882
flat angles C4'-P-C4' energy: -22.926
flat angles P-C4'-P energy: -19.556
tors. eta vs tors. theta energy: -29.545
Dist. restrs. and SS energy: 1.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -346.925945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.925945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.266099 (E_RNA)
where:
Base-Base interactions energy: -249.172
where: short stacking energy: -107.328
Base-Backbone interact. energy: -0.453
local terms energy: -97.641238
where:
bonds (distance) C4'-P energy: -17.991
bonds (distance) P-C4' energy: -20.795
flat angles C4'-P-C4' energy: -19.444
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -29.441
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: 5
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -282.128614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.128614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.610785 (E_RNA)
where:
Base-Base interactions energy: -191.134
where: short stacking energy: -83.840
Base-Backbone interact. energy: -0.252
local terms energy: -91.224615
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -17.808
flat angles C4'-P-C4' energy: -22.167
flat angles P-C4'-P energy: -17.428
tors. eta vs tors. theta energy: -18.854
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: 3
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -275.433855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.433855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.256464 (E_RNA)
where:
Base-Base interactions energy: -182.343
where: short stacking energy: -74.539
Base-Backbone interact. energy: -0.652
local terms energy: -93.260760
where:
bonds (distance) C4'-P energy: -19.892
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -22.834
flat angles P-C4'-P energy: -12.752
tors. eta vs tors. theta energy: -16.907
Dist. restrs. and SS energy: 0.823 (S_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: 420
Temperature: 1.200000
Total energy: -303.762394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.762394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.947376 (E_RNA)
where:
Base-Base interactions energy: -205.308
where: short stacking energy: -82.986
Base-Backbone interact. energy: -1.048
local terms energy: -100.590840
where:
bonds (distance) C4'-P energy: -18.790
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -22.583
flat angles P-C4'-P energy: -17.759
tors. eta vs tors. theta energy: -23.434
Dist. restrs. and SS energy: 3.185 (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: 420
Temperature: 1.250000
Total energy: -277.659313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.659313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.206525 (E_RNA)
where:
Base-Base interactions energy: -187.798
where: short stacking energy: -74.609
Base-Backbone interact. energy: -0.528
local terms energy: -90.880789
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -21.299
flat angles C4'-P-C4' energy: -23.814
flat angles P-C4'-P energy: -12.811
tors. eta vs tors. theta energy: -15.737
Dist. restrs. and SS energy: 1.547 (S_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: 420
Temperature: 1.300000
Total energy: -239.001872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.001872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.182232 (E_RNA)
where:
Base-Base interactions energy: -166.203
where: short stacking energy: -68.280
Base-Backbone interact. energy: 3.270
local terms energy: -78.248944
where:
bonds (distance) C4'-P energy: -18.562
bonds (distance) P-C4' energy: -17.000
flat angles C4'-P-C4' energy: -18.513
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -17.092
Dist. restrs. and SS energy: 2.180 (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: 7
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -240.776797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.776797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.385246 (E_RNA)
where:
Base-Base interactions energy: -167.643
where: short stacking energy: -79.913
Base-Backbone interact. energy: -0.760
local terms energy: -74.982323
where:
bonds (distance) C4'-P energy: -9.990
bonds (distance) P-C4' energy: -16.285
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -15.927
tors. eta vs tors. theta energy: -18.031
Dist. restrs. and SS energy: 2.608 (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: 1
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -371.614644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.614644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.326326 (E_RNA)
where:
Base-Base interactions energy: -264.208
where: short stacking energy: -97.110
Base-Backbone interact. energy: -0.883
local terms energy: -108.236017
where:
bonds (distance) C4'-P energy: -20.316
bonds (distance) P-C4' energy: -20.243
flat angles C4'-P-C4' energy: -25.191
flat angles P-C4'-P energy: -15.442
tors. eta vs tors. theta energy: -27.045
Dist. restrs. and SS energy: 1.712 (S_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: 421
Temperature: 0.950000
Total energy: -359.034873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.034873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.197874 (E_RNA)
where:
Base-Base interactions energy: -246.682
where: short stacking energy: -96.647
Base-Backbone interact. energy: -0.673
local terms energy: -112.842703
where:
bonds (distance) C4'-P energy: -17.863
bonds (distance) P-C4' energy: -23.841
flat angles C4'-P-C4' energy: -26.011
flat angles P-C4'-P energy: -15.803
tors. eta vs tors. theta energy: -29.326
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: 3, replica: 9
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -356.679718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.679718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.196759 (E_RNA)
where:
Base-Base interactions energy: -252.597
where: short stacking energy: -97.271
Base-Backbone interact. energy: -0.609
local terms energy: -104.991210
where:
bonds (distance) C4'-P energy: -22.976
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -21.854
flat angles P-C4'-P energy: -16.753
tors. eta vs tors. theta energy: -27.636
Dist. restrs. and SS energy: 1.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -333.889048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.889048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.718432 (E_RNA)
where:
Base-Base interactions energy: -233.206
where: short stacking energy: -97.004
Base-Backbone interact. energy: 1.172
local terms energy: -103.684865
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -20.986
flat angles C4'-P-C4' energy: -21.704
flat angles P-C4'-P energy: -15.814
tors. eta vs tors. theta energy: -27.356
Dist. restrs. and SS energy: 1.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -284.852402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.852402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.852402 (E_RNA)
where:
Base-Base interactions energy: -193.647
where: short stacking energy: -75.340
Base-Backbone interact. energy: -0.492
local terms energy: -90.712714
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -19.722
flat angles C4'-P-C4' energy: -23.620
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -18.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -282.030310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.030310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.441771 (E_RNA)
where:
Base-Base interactions energy: -194.980
where: short stacking energy: -80.668
Base-Backbone interact. energy: 0.642
local terms energy: -93.103738
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -24.340
flat angles C4'-P-C4' energy: -19.215
flat angles P-C4'-P energy: -14.874
tors. eta vs tors. theta energy: -18.653
Dist. restrs. and SS energy: 5.411 (S_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: 421
Temperature: 1.200000
Total energy: -234.232534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.232534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.717375 (E_RNA)
where:
Base-Base interactions energy: -170.474
where: short stacking energy: -58.503
Base-Backbone interact. energy: -1.100
local terms energy: -68.143092
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -18.067
flat angles P-C4'-P energy: -5.649
tors. eta vs tors. theta energy: -9.496
Dist. restrs. and SS energy: 5.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -268.277614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.277614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.518352 (E_RNA)
where:
Base-Base interactions energy: -183.632
where: short stacking energy: -80.708
Base-Backbone interact. energy: -0.473
local terms energy: -88.412947
where:
bonds (distance) C4'-P energy: -18.508
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -22.917
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -19.756
Dist. restrs. and SS energy: 4.241 (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: 4
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -249.314161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.314161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.409489 (E_RNA)
where:
Base-Base interactions energy: -176.729
where: short stacking energy: -70.653
Base-Backbone interact. energy: -1.682
local terms energy: -70.999430
where:
bonds (distance) C4'-P energy: -19.818
bonds (distance) P-C4' energy: -8.190
flat angles C4'-P-C4' energy: -18.205
flat angles P-C4'-P energy: -5.273
tors. eta vs tors. theta energy: -19.514
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: 10, replica: 7
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -244.291106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.291106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.717386 (E_RNA)
where:
Base-Base interactions energy: -165.867
where: short stacking energy: -64.583
Base-Backbone interact. energy: -0.742
local terms energy: -78.108398
where:
bonds (distance) C4'-P energy: -18.030
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -21.287
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -10.975
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: 1, replica: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -357.505639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.505639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.660479 (E_RNA)
where:
Base-Base interactions energy: -248.362
where: short stacking energy: -98.965
Base-Backbone interact. energy: 1.513
local terms energy: -111.811976
where:
bonds (distance) C4'-P energy: -21.847
bonds (distance) P-C4' energy: -27.044
flat angles C4'-P-C4' energy: -20.673
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -28.830
Dist. restrs. and SS energy: 1.155 (S_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: 422
Temperature: 0.950000
Total energy: -368.043991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.043991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.710688 (E_RNA)
where:
Base-Base interactions energy: -259.154
where: short stacking energy: -92.130
Base-Backbone interact. energy: 0.588
local terms energy: -110.144931
where:
bonds (distance) C4'-P energy: -19.141
bonds (distance) P-C4' energy: -24.583
flat angles C4'-P-C4' energy: -21.335
flat angles P-C4'-P energy: -17.399
tors. eta vs tors. theta energy: -27.686
Dist. restrs. and SS energy: 0.667 (S_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: 422
Temperature: 1.000000
Total energy: -360.718452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.718452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.050450 (E_RNA)
where:
Base-Base interactions energy: -245.640
where: short stacking energy: -88.964
Base-Backbone interact. energy: -0.439
local terms energy: -115.971320
where:
bonds (distance) C4'-P energy: -21.890
bonds (distance) P-C4' energy: -27.439
flat angles C4'-P-C4' energy: -22.968
flat angles P-C4'-P energy: -16.692
tors. eta vs tors. theta energy: -26.982
Dist. restrs. and SS energy: 1.332 (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: 422
Temperature: 1.050000
Total energy: -343.427849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.427849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.844239 (E_RNA)
where:
Base-Base interactions energy: -235.212
where: short stacking energy: -94.693
Base-Backbone interact. energy: 0.107
local terms energy: -108.739407
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -22.429
flat angles C4'-P-C4' energy: -22.082
flat angles P-C4'-P energy: -16.657
tors. eta vs tors. theta energy: -32.657
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: 5, replica: 5
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -295.355851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.355851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.532512 (E_RNA)
where:
Base-Base interactions energy: -209.525
where: short stacking energy: -84.820
Base-Backbone interact. energy: 1.235
local terms energy: -87.242039
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -18.919
tors. eta vs tors. theta energy: -20.188
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: 10
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -265.703387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.703387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.785702 (E_RNA)
where:
Base-Base interactions energy: -176.740
where: short stacking energy: -73.514
Base-Backbone interact. energy: -0.282
local terms energy: -92.762936
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -22.546
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -15.357
tors. eta vs tors. theta energy: -23.477
Dist. restrs. and SS energy: 4.082 (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: 8
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -268.631990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.631990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.425011 (E_RNA)
where:
Base-Base interactions energy: -181.390
where: short stacking energy: -71.881
Base-Backbone interact. energy: 0.027
local terms energy: -92.062190
where:
bonds (distance) C4'-P energy: -20.327
bonds (distance) P-C4' energy: -20.409
flat angles C4'-P-C4' energy: -18.782
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -19.783
Dist. restrs. and SS energy: 4.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -240.686007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.686007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.962276 (E_RNA)
where:
Base-Base interactions energy: -172.257
where: short stacking energy: -67.010
Base-Backbone interact. energy: -0.894
local terms energy: -68.811395
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -18.773
tors. eta vs tors. theta energy: -11.440
Dist. restrs. and SS energy: 1.276 (S_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: -234.278582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.278582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.201357 (E_RNA)
where:
Base-Base interactions energy: -155.176
where: short stacking energy: -64.103
Base-Backbone interact. energy: 0.964
local terms energy: -80.989101
where:
bonds (distance) C4'-P energy: -19.904
bonds (distance) P-C4' energy: -24.200
flat angles C4'-P-C4' energy: -19.205
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -6.954
Dist. restrs. and SS energy: 0.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -218.790959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.790959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.354069 (E_RNA)
where:
Base-Base interactions energy: -140.331
where: short stacking energy: -55.632
Base-Backbone interact. energy: -1.761
local terms energy: -81.261635
where:
bonds (distance) C4'-P energy: -17.817
bonds (distance) P-C4' energy: -15.708
flat angles C4'-P-C4' energy: -25.238
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -8.721
Dist. restrs. and SS energy: 4.563 (S_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: 423
Temperature: 0.900000
Total energy: -366.957380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.957380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.543843 (E_RNA)
where:
Base-Base interactions energy: -245.601
where: short stacking energy: -96.819
Base-Backbone interact. energy: -0.495
local terms energy: -122.447597
where:
bonds (distance) C4'-P energy: -25.815
bonds (distance) P-C4' energy: -22.592
flat angles C4'-P-C4' energy: -24.005
flat angles P-C4'-P energy: -21.236
tors. eta vs tors. theta energy: -28.799
Dist. restrs. and SS energy: 1.586 (S_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: 423
Temperature: 0.950000
Total energy: -366.733957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.733957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.483197 (E_RNA)
where:
Base-Base interactions energy: -256.869
where: short stacking energy: -98.365
Base-Backbone interact. energy: -1.480
local terms energy: -110.133991
where:
bonds (distance) C4'-P energy: -21.750
bonds (distance) P-C4' energy: -20.501
flat angles C4'-P-C4' energy: -23.817
flat angles P-C4'-P energy: -15.201
tors. eta vs tors. theta energy: -28.866
Dist. restrs. and SS energy: 1.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -356.564468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.564468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.714033 (E_RNA)
where:
Base-Base interactions energy: -239.578
where: short stacking energy: -97.496
Base-Backbone interact. energy: 0.754
local terms energy: -118.889611
where:
bonds (distance) C4'-P energy: -26.965
bonds (distance) P-C4' energy: -28.193
flat angles C4'-P-C4' energy: -21.935
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -28.570
Dist. restrs. and SS energy: 1.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -345.323069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.323069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.396008 (E_RNA)
where:
Base-Base interactions energy: -235.526
where: short stacking energy: -102.024
Base-Backbone interact. energy: -0.890
local terms energy: -108.980008
where:
bonds (distance) C4'-P energy: -19.959
bonds (distance) P-C4' energy: -22.957
flat angles C4'-P-C4' energy: -21.125
flat angles P-C4'-P energy: -15.858
tors. eta vs tors. theta energy: -29.082
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: 5
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -304.484288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.484288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.576298 (E_RNA)
where:
Base-Base interactions energy: -202.043
where: short stacking energy: -85.042
Base-Backbone interact. energy: -0.146
local terms energy: -102.387304
where:
bonds (distance) C4'-P energy: -17.591
bonds (distance) P-C4' energy: -27.200
flat angles C4'-P-C4' energy: -22.063
flat angles P-C4'-P energy: -16.864
tors. eta vs tors. theta energy: -18.670
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: 6, replica: 8
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -280.476955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.476955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.573473 (E_RNA)
where:
Base-Base interactions energy: -199.522
where: short stacking energy: -65.692
Base-Backbone interact. energy: -1.831
local terms energy: -79.220345
where:
bonds (distance) C4'-P energy: -16.485
bonds (distance) P-C4' energy: -24.452
flat angles C4'-P-C4' energy: -18.009
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -7.736
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: 10
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -258.409180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.409180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.764182 (E_RNA)
where:
Base-Base interactions energy: -168.534
where: short stacking energy: -74.261
Base-Backbone interact. energy: -0.638
local terms energy: -92.592188
where:
bonds (distance) C4'-P energy: -17.915
bonds (distance) P-C4' energy: -21.132
flat angles C4'-P-C4' energy: -23.392
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -18.499
Dist. restrs. and SS energy: 3.355 (S_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: -231.692543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.692543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.912443 (E_RNA)
where:
Base-Base interactions energy: -157.002
where: short stacking energy: -66.443
Base-Backbone interact. energy: 0.700
local terms energy: -75.610263
where:
bonds (distance) C4'-P energy: -17.723
bonds (distance) P-C4' energy: -21.637
flat angles C4'-P-C4' energy: -19.392
flat angles P-C4'-P energy: -4.738
tors. eta vs tors. theta energy: -12.120
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: 9, replica: 3
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -231.203675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.203675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.679849 (E_RNA)
where:
Base-Base interactions energy: -158.418
where: short stacking energy: -59.468
Base-Backbone interact. energy: -0.390
local terms energy: -77.871501
where:
bonds (distance) C4'-P energy: -22.500
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -19.372
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -8.203
Dist. restrs. and SS energy: 5.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -236.520504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.520504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.779957 (E_RNA)
where:
Base-Base interactions energy: -155.233
where: short stacking energy: -70.504
Base-Backbone interact. energy: -0.403
local terms energy: -89.143821
where:
bonds (distance) C4'-P energy: -17.918
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -19.480
flat angles P-C4'-P energy: -21.729
tors. eta vs tors. theta energy: -13.240
Dist. restrs. and SS energy: 8.259 (S_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: 424
Temperature: 0.900000
Total energy: -367.925078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.925078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.008090 (E_RNA)
where:
Base-Base interactions energy: -248.401
where: short stacking energy: -101.308
Base-Backbone interact. energy: -0.774
local terms energy: -118.833881
where:
bonds (distance) C4'-P energy: -22.622
bonds (distance) P-C4' energy: -19.512
flat angles C4'-P-C4' energy: -26.247
flat angles P-C4'-P energy: -19.773
tors. eta vs tors. theta energy: -30.680
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: 2
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -354.649438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.649438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.920246 (E_RNA)
where:
Base-Base interactions energy: -255.283
where: short stacking energy: -103.830
Base-Backbone interact. energy: 0.960
local terms energy: -101.596542
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -22.170
flat angles C4'-P-C4' energy: -22.371
flat angles P-C4'-P energy: -16.783
tors. eta vs tors. theta energy: -23.660
Dist. restrs. and SS energy: 1.271 (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: 1
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -349.110629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.110629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.909155 (E_RNA)
where:
Base-Base interactions energy: -253.066
where: short stacking energy: -90.253
Base-Backbone interact. energy: -0.891
local terms energy: -96.951787
where:
bonds (distance) C4'-P energy: -11.541
bonds (distance) P-C4' energy: -20.342
flat angles C4'-P-C4' energy: -21.490
flat angles P-C4'-P energy: -20.298
tors. eta vs tors. theta energy: -23.280
Dist. restrs. and SS energy: 1.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -334.795691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.795691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.105086 (E_RNA)
where:
Base-Base interactions energy: -235.352
where: short stacking energy: -86.708
Base-Backbone interact. energy: 1.557
local terms energy: -101.310274
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -22.407
flat angles C4'-P-C4' energy: -25.570
flat angles P-C4'-P energy: -14.725
tors. eta vs tors. theta energy: -23.235
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: 5, replica: 5
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -298.401262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.401262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.576070 (E_RNA)
where:
Base-Base interactions energy: -192.247
where: short stacking energy: -70.117
Base-Backbone interact. energy: -0.179
local terms energy: -106.150109
where:
bonds (distance) C4'-P energy: -20.251
bonds (distance) P-C4' energy: -25.918
flat angles C4'-P-C4' energy: -19.282
flat angles P-C4'-P energy: -18.019
tors. eta vs tors. theta energy: -22.681
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: 6, replica: 8
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -295.492122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.492122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.808627 (E_RNA)
where:
Base-Base interactions energy: -208.684
where: short stacking energy: -85.835
Base-Backbone interact. energy: 0.727
local terms energy: -87.851827
where:
bonds (distance) C4'-P energy: -21.136
bonds (distance) P-C4' energy: -18.286
flat angles C4'-P-C4' energy: -21.652
flat angles P-C4'-P energy: -5.864
tors. eta vs tors. theta energy: -20.914
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: 10
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -298.852798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.852798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.966477 (E_RNA)
where:
Base-Base interactions energy: -206.496
where: short stacking energy: -81.987
Base-Backbone interact. energy: -2.314
local terms energy: -91.155679
where:
bonds (distance) C4'-P energy: -11.794
bonds (distance) P-C4' energy: -23.135
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -16.621
tors. eta vs tors. theta energy: -21.982
Dist. restrs. and SS energy: 1.114 (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: 4
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -236.704848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.704848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.310118 (E_RNA)
where:
Base-Base interactions energy: -150.420
where: short stacking energy: -64.026
Base-Backbone interact. energy: -0.457
local terms energy: -91.433024
where:
bonds (distance) C4'-P energy: -19.922
bonds (distance) P-C4' energy: -24.276
flat angles C4'-P-C4' energy: -21.772
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -12.994
Dist. restrs. and SS energy: 5.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -266.406325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.406325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.519584 (E_RNA)
where:
Base-Base interactions energy: -179.743
where: short stacking energy: -74.770
Base-Backbone interact. energy: -0.623
local terms energy: -89.153405
where:
bonds (distance) C4'-P energy: -19.242
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -20.604
flat angles P-C4'-P energy: -13.724
tors. eta vs tors. theta energy: -20.645
Dist. restrs. and SS energy: 3.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -223.800913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.800913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.717877 (E_RNA)
where:
Base-Base interactions energy: -154.477
where: short stacking energy: -54.207
Base-Backbone interact. energy: 1.846
local terms energy: -77.086343
where:
bonds (distance) C4'-P energy: -21.660
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -14.860
tors. eta vs tors. theta energy: -11.017
Dist. restrs. and SS energy: 5.917 (S_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: 425
Temperature: 0.900000
Total energy: -369.309421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.309421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.550026 (E_RNA)
where:
Base-Base interactions energy: -257.222
where: short stacking energy: -101.106
Base-Backbone interact. energy: -0.531
local terms energy: -112.797567
where:
bonds (distance) C4'-P energy: -23.613
bonds (distance) P-C4' energy: -21.126
flat angles C4'-P-C4' energy: -19.335
flat angles P-C4'-P energy: -18.041
tors. eta vs tors. theta energy: -30.683
Dist. restrs. and SS energy: 1.241 (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: 1
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -363.073999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.073999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.046026 (E_RNA)
where:
Base-Base interactions energy: -257.656
where: short stacking energy: -105.959
Base-Backbone interact. energy: -1.322
local terms energy: -105.068575
where:
bonds (distance) C4'-P energy: -21.661
bonds (distance) P-C4' energy: -22.580
flat angles C4'-P-C4' energy: -18.961
flat angles P-C4'-P energy: -14.164
tors. eta vs tors. theta energy: -27.703
Dist. restrs. and SS energy: 0.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -345.587366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.587366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.801352 (E_RNA)
where:
Base-Base interactions energy: -235.379
where: short stacking energy: -93.165
Base-Backbone interact. energy: -0.645
local terms energy: -110.778052
where:
bonds (distance) C4'-P energy: -21.312
bonds (distance) P-C4' energy: -21.522
flat angles C4'-P-C4' energy: -19.398
flat angles P-C4'-P energy: -20.561
tors. eta vs tors. theta energy: -27.985
Dist. restrs. and SS energy: 1.214 (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: 5
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -306.063459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.063459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.142888 (E_RNA)
where:
Base-Base interactions energy: -205.566
where: short stacking energy: -88.521
Base-Backbone interact. energy: -0.317
local terms energy: -100.260689
where:
bonds (distance) C4'-P energy: -19.002
bonds (distance) P-C4' energy: -26.682
flat angles C4'-P-C4' energy: -21.173
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -23.457
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: 6
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -321.426757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.426757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.591054 (E_RNA)
where:
Base-Base interactions energy: -219.936
where: short stacking energy: -87.469
Base-Backbone interact. energy: -0.969
local terms energy: -101.686128
where:
bonds (distance) C4'-P energy: -21.418
bonds (distance) P-C4' energy: -21.863
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -29.069
Dist. restrs. and SS energy: 1.164 (S_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: 425
Temperature: 1.150000
Total energy: -283.840594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.840594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.310138 (E_RNA)
where:
Base-Base interactions energy: -185.072
where: short stacking energy: -72.466
Base-Backbone interact. energy: -1.458
local terms energy: -97.779777
where:
bonds (distance) C4'-P energy: -23.629
bonds (distance) P-C4' energy: -22.192
flat angles C4'-P-C4' energy: -21.094
flat angles P-C4'-P energy: -14.140
tors. eta vs tors. theta energy: -16.724
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: 7, replica: 10
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -284.199982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.199982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.372354 (E_RNA)
where:
Base-Base interactions energy: -184.139
where: short stacking energy: -79.316
Base-Backbone interact. energy: -0.249
local terms energy: -103.984566
where:
bonds (distance) C4'-P energy: -27.819
bonds (distance) P-C4' energy: -24.091
flat angles C4'-P-C4' energy: -19.890
flat angles P-C4'-P energy: -14.170
tors. eta vs tors. theta energy: -18.014
Dist. restrs. and SS energy: 4.172 (S_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: 425
Temperature: 1.250000
Total energy: -246.801878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.801878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.099840 (E_RNA)
where:
Base-Base interactions energy: -160.423
where: short stacking energy: -69.962
Base-Backbone interact. energy: -0.599
local terms energy: -86.077966
where:
bonds (distance) C4'-P energy: -23.328
bonds (distance) P-C4' energy: -23.611
flat angles C4'-P-C4' energy: -18.638
flat angles P-C4'-P energy: -5.430
tors. eta vs tors. theta energy: -15.072
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: 9, replica: 4
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -230.421084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.421084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.024232 (E_RNA)
where:
Base-Base interactions energy: -151.886
where: short stacking energy: -56.337
Base-Backbone interact. energy: -0.698
local terms energy: -79.440889
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -20.337
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -15.185
tors. eta vs tors. theta energy: -13.054
Dist. restrs. and SS energy: 1.603 (S_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: 425
Temperature: 1.350000
Total energy: -228.560962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.560962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.353384 (E_RNA)
where:
Base-Base interactions energy: -145.376
where: short stacking energy: -63.842
Base-Backbone interact. energy: -0.966
local terms energy: -88.011972
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -24.531
flat angles C4'-P-C4' energy: -22.661
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -15.590
Dist. restrs. and SS energy: 5.792 (S_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: 426
Temperature: 0.900000
Total energy: -365.695638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.695638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.024398 (E_RNA)
where:
Base-Base interactions energy: -254.993
where: short stacking energy: -109.709
Base-Backbone interact. energy: -0.530
local terms energy: -111.501493
where:
bonds (distance) C4'-P energy: -21.017
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -23.605
flat angles P-C4'-P energy: -19.382
tors. eta vs tors. theta energy: -28.889
Dist. restrs. and SS energy: 1.329 (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: 9
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -368.533390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.533390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.877989 (E_RNA)
where:
Base-Base interactions energy: -254.424
where: short stacking energy: -99.926
Base-Backbone interact. energy: -0.980
local terms energy: -114.474584
where:
bonds (distance) C4'-P energy: -22.957
bonds (distance) P-C4' energy: -24.049
flat angles C4'-P-C4' energy: -21.363
flat angles P-C4'-P energy: -18.622
tors. eta vs tors. theta energy: -27.484
Dist. restrs. and SS energy: 1.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -346.013920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.013920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.709825 (E_RNA)
where:
Base-Base interactions energy: -236.437
where: short stacking energy: -93.332
Base-Backbone interact. energy: -0.596
local terms energy: -109.677104
where:
bonds (distance) C4'-P energy: -20.466
bonds (distance) P-C4' energy: -25.743
flat angles C4'-P-C4' energy: -22.397
flat angles P-C4'-P energy: -16.888
tors. eta vs tors. theta energy: -24.183
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: 4, replica: 5
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -312.621711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.621711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.621711 (E_RNA)
where:
Base-Base interactions energy: -220.465
where: short stacking energy: -84.690
Base-Backbone interact. energy: -0.243
local terms energy: -91.913850
where:
bonds (distance) C4'-P energy: -23.626
bonds (distance) P-C4' energy: -21.779
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -18.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -349.604892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.604892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.343329 (E_RNA)
where:
Base-Base interactions energy: -240.524
where: short stacking energy: -98.763
Base-Backbone interact. energy: -1.339
local terms energy: -108.479514
where:
bonds (distance) C4'-P energy: -16.091
bonds (distance) P-C4' energy: -23.412
flat angles C4'-P-C4' energy: -21.871
flat angles P-C4'-P energy: -17.185
tors. eta vs tors. theta energy: -29.921
Dist. restrs. and SS energy: 0.738 (S_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: -285.185075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.185075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.793681 (E_RNA)
where:
Base-Base interactions energy: -199.480
where: short stacking energy: -77.613
Base-Backbone interact. energy: -1.359
local terms energy: -84.953909
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -22.602
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -13.299
Dist. restrs. and SS energy: 0.609 (S_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: 426
Temperature: 1.200000
Total energy: -268.766149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.766149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.214896 (E_RNA)
where:
Base-Base interactions energy: -179.406
where: short stacking energy: -85.946
Base-Backbone interact. energy: -0.299
local terms energy: -95.509836
where:
bonds (distance) C4'-P energy: -23.708
bonds (distance) P-C4' energy: -22.469
flat angles C4'-P-C4' energy: -20.392
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -21.793
Dist. restrs. and SS energy: 6.449 (S_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: 426
Temperature: 1.250000
Total energy: -250.380593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.380593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.151582 (E_RNA)
where:
Base-Base interactions energy: -170.726
where: short stacking energy: -81.104
Base-Backbone interact. energy: -0.363
local terms energy: -84.061857
where:
bonds (distance) C4'-P energy: -20.012
bonds (distance) P-C4' energy: -18.345
flat angles C4'-P-C4' energy: -17.954
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -19.112
Dist. restrs. and SS energy: 4.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -237.176731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.176731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.151891 (E_RNA)
where:
Base-Base interactions energy: -159.941
where: short stacking energy: -67.120
Base-Backbone interact. energy: -0.126
local terms energy: -82.084787
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -21.840
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -15.632
Dist. restrs. and SS energy: 4.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -239.169306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.169306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.945720 (E_RNA)
where:
Base-Base interactions energy: -158.361
where: short stacking energy: -64.164
Base-Backbone interact. energy: -0.423
local terms energy: -83.161724
where:
bonds (distance) C4'-P energy: -18.080
bonds (distance) P-C4' energy: -18.842
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -16.074
Dist. restrs. and SS energy: 2.776 (S_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: 427
Temperature: 0.900000
Total energy: -366.006853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.006853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.893633 (E_RNA)
where:
Base-Base interactions energy: -257.049
where: short stacking energy: -90.261
Base-Backbone interact. energy: 2.653
local terms energy: -113.497873
where:
bonds (distance) C4'-P energy: -24.466
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -24.447
flat angles P-C4'-P energy: -18.444
tors. eta vs tors. theta energy: -30.086
Dist. restrs. and SS energy: 1.887 (S_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: -346.367118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.367118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.886492 (E_RNA)
where:
Base-Base interactions energy: -241.371
where: short stacking energy: -89.225
Base-Backbone interact. energy: -0.515
local terms energy: -105.000214
where:
bonds (distance) C4'-P energy: -20.244
bonds (distance) P-C4' energy: -21.629
flat angles C4'-P-C4' energy: -23.968
flat angles P-C4'-P energy: -16.842
tors. eta vs tors. theta energy: -22.318
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: 9
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -349.679013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.679013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.032216 (E_RNA)
where:
Base-Base interactions energy: -241.793
where: short stacking energy: -90.489
Base-Backbone interact. energy: -0.332
local terms energy: -108.907064
where:
bonds (distance) C4'-P energy: -21.727
bonds (distance) P-C4' energy: -22.903
flat angles C4'-P-C4' energy: -23.617
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -27.687
Dist. restrs. and SS energy: 1.353 (S_DIST_RNA)
chem. 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: -349.800908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.800908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.513837 (E_RNA)
where:
Base-Base interactions energy: -249.811
where: short stacking energy: -94.130
Base-Backbone interact. energy: -1.668
local terms energy: -100.034808
where:
bonds (distance) C4'-P energy: -18.157
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -22.168
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -28.254
Dist. restrs. and SS energy: 1.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -309.100832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.100832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.894405 (E_RNA)
where:
Base-Base interactions energy: -215.829
where: short stacking energy: -78.250
Base-Backbone interact. energy: -0.626
local terms energy: -95.438888
where:
bonds (distance) C4'-P energy: -20.831
bonds (distance) P-C4' energy: -22.253
flat angles C4'-P-C4' energy: -24.424
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: -20.243
Dist. restrs. and SS energy: 2.794 (S_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: 427
Temperature: 1.150000
Total energy: -257.216315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.216315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.663020 (E_RNA)
where:
Base-Base interactions energy: -177.026
where: short stacking energy: -65.019
Base-Backbone interact. energy: -0.350
local terms energy: -85.287008
where:
bonds (distance) C4'-P energy: -18.066
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -20.906
Dist. restrs. and SS energy: 5.447 (S_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: -305.292346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.292346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.096867 (E_RNA)
where:
Base-Base interactions energy: -216.273
where: short stacking energy: -79.969
Base-Backbone interact. energy: -1.145
local terms energy: -88.679290
where:
bonds (distance) C4'-P energy: -21.073
bonds (distance) P-C4' energy: -21.694
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -19.543
Dist. restrs. and SS energy: 0.805 (S_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: 427
Temperature: 1.250000
Total energy: -228.868432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.868432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.150602 (E_RNA)
where:
Base-Base interactions energy: -141.827
where: short stacking energy: -64.446
Base-Backbone interact. energy: -0.721
local terms energy: -93.602570
where:
bonds (distance) C4'-P energy: -23.286
bonds (distance) P-C4' energy: -22.489
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -18.427
tors. eta vs tors. theta energy: -13.491
Dist. restrs. and SS energy: 7.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -241.398590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.398590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.580994 (E_RNA)
where:
Base-Base interactions energy: -158.710
where: short stacking energy: -67.240
Base-Backbone interact. energy: -0.045
local terms energy: -84.825169
where:
bonds (distance) C4'-P energy: -17.832
bonds (distance) P-C4' energy: -18.550
flat angles C4'-P-C4' energy: -21.883
flat angles P-C4'-P energy: -14.262
tors. eta vs tors. theta energy: -12.298
Dist. restrs. and SS energy: 2.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -242.674839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.674839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.115843 (E_RNA)
where:
Base-Base interactions energy: -171.485
where: short stacking energy: -71.272
Base-Backbone interact. energy: -0.155
local terms energy: -75.475311
where:
bonds (distance) C4'-P energy: -17.387
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -22.079
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -12.839
Dist. restrs. and SS energy: 4.441 (S_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: 428
Temperature: 0.900000
Total energy: -349.939733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.939733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.839225 (E_RNA)
where:
Base-Base interactions energy: -238.123
where: short stacking energy: -91.393
Base-Backbone interact. energy: -0.566
local terms energy: -112.149790
where:
bonds (distance) C4'-P energy: -23.261
bonds (distance) P-C4' energy: -20.391
flat angles C4'-P-C4' energy: -25.642
flat angles P-C4'-P energy: -16.677
tors. eta vs tors. theta energy: -26.179
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: 2, replica: 2
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -338.857716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.857716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.975210 (E_RNA)
where:
Base-Base interactions energy: -232.555
where: short stacking energy: -93.088
Base-Backbone interact. energy: -2.543
local terms energy: -103.877228
where:
bonds (distance) C4'-P energy: -24.130
bonds (distance) P-C4' energy: -21.022
flat angles C4'-P-C4' energy: -21.383
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -28.350
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: 3, replica: 9
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -351.448843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.448843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.175938 (E_RNA)
where:
Base-Base interactions energy: -246.392
where: short stacking energy: -106.036
Base-Backbone interact. energy: -0.449
local terms energy: -106.334633
where:
bonds (distance) C4'-P energy: -18.400
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -21.828
flat angles P-C4'-P energy: -19.806
tors. eta vs tors. theta energy: -29.714
Dist. restrs. and SS energy: 1.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -350.123710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.123710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.360623 (E_RNA)
where:
Base-Base interactions energy: -245.823
where: short stacking energy: -100.216
Base-Backbone interact. energy: -1.210
local terms energy: -104.328144
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -22.058
flat angles C4'-P-C4' energy: -21.858
flat angles P-C4'-P energy: -14.404
tors. eta vs tors. theta energy: -32.015
Dist. restrs. and SS energy: 1.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -304.315665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.315665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.366349 (E_RNA)
where:
Base-Base interactions energy: -210.065
where: short stacking energy: -77.971
Base-Backbone interact. energy: -1.088
local terms energy: -95.212822
where:
bonds (distance) C4'-P energy: -21.820
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -23.446
flat angles P-C4'-P energy: -16.290
tors. eta vs tors. theta energy: -18.530
Dist. restrs. and SS energy: 2.051 (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: 10
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -278.526906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.526906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.299589 (E_RNA)
where:
Base-Base interactions energy: -193.881
where: short stacking energy: -84.604
Base-Backbone interact. energy: -0.957
local terms energy: -89.460677
where:
bonds (distance) C4'-P energy: -19.097
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -21.532
flat angles P-C4'-P energy: -5.372
tors. eta vs tors. theta energy: -27.359
Dist. restrs. and SS energy: 5.773 (S_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: -298.175661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.175661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.142410 (E_RNA)
where:
Base-Base interactions energy: -202.445
where: short stacking energy: -72.734
Base-Backbone interact. energy: -0.456
local terms energy: -96.241042
where:
bonds (distance) C4'-P energy: -18.898
bonds (distance) P-C4' energy: -23.979
flat angles C4'-P-C4' energy: -22.785
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -15.374
Dist. restrs. and SS energy: 0.967 (S_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: 428
Temperature: 1.250000
Total energy: -260.580539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.580539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.426039 (E_RNA)
where:
Base-Base interactions energy: -176.077
where: short stacking energy: -72.276
Base-Backbone interact. energy: -0.370
local terms energy: -89.978133
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -23.982
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -21.726
Dist. restrs. and SS energy: 5.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -234.741617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.741617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.423681 (E_RNA)
where:
Base-Base interactions energy: -155.679
where: short stacking energy: -61.782
Base-Backbone interact. energy: -0.563
local terms energy: -85.181371
where:
bonds (distance) C4'-P energy: -19.512
bonds (distance) P-C4' energy: -19.014
flat angles C4'-P-C4' energy: -19.657
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -16.912
Dist. restrs. and SS energy: 6.682 (S_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: 428
Temperature: 1.350000
Total energy: -256.065922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.065922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.105238 (E_RNA)
where:
Base-Base interactions energy: -184.532
where: short stacking energy: -70.010
Base-Backbone interact. energy: -0.637
local terms energy: -70.936022
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: -15.244
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: 1
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -355.253047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.253047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.434941 (E_RNA)
where:
Base-Base interactions energy: -241.143
where: short stacking energy: -92.095
Base-Backbone interact. energy: 0.092
local terms energy: -114.384111
where:
bonds (distance) C4'-P energy: -22.851
bonds (distance) P-C4' energy: -25.545
flat angles C4'-P-C4' energy: -24.327
flat angles P-C4'-P energy: -17.840
tors. eta vs tors. theta energy: -23.822
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: 429
Temperature: 0.950000
Total energy: -371.732240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.732240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.471239 (E_RNA)
where:
Base-Base interactions energy: -258.141
where: short stacking energy: -103.718
Base-Backbone interact. energy: -1.244
local terms energy: -113.086370
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -24.570
flat angles C4'-P-C4' energy: -24.527
flat angles P-C4'-P energy: -16.751
tors. eta vs tors. theta energy: -31.797
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: 3, replica: 2
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -362.128877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.128877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.724357 (E_RNA)
where:
Base-Base interactions energy: -247.525
where: short stacking energy: -98.930
Base-Backbone interact. energy: -0.579
local terms energy: -115.620546
where:
bonds (distance) C4'-P energy: -21.801
bonds (distance) P-C4' energy: -20.940
flat angles C4'-P-C4' energy: -22.527
flat angles P-C4'-P energy: -20.876
tors. eta vs tors. theta energy: -29.476
Dist. restrs. and SS energy: 1.595 (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: 6
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -353.679171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.679171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.769808 (E_RNA)
where:
Base-Base interactions energy: -241.151
where: short stacking energy: -101.761
Base-Backbone interact. energy: -0.162
local terms energy: -112.457227
where:
bonds (distance) C4'-P energy: -20.248
bonds (distance) P-C4' energy: -23.467
flat angles C4'-P-C4' energy: -22.543
flat angles P-C4'-P energy: -18.732
tors. eta vs tors. theta energy: -27.467
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: 5, replica: 5
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -317.980803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.980803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.777119 (E_RNA)
where:
Base-Base interactions energy: -206.887
where: short stacking energy: -81.631
Base-Backbone interact. energy: 0.002
local terms energy: -111.891677
where:
bonds (distance) C4'-P energy: -22.652
bonds (distance) P-C4' energy: -25.265
flat angles C4'-P-C4' energy: -25.893
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -26.587
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: 6, replica: 8
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -315.095168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.095168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.764777 (E_RNA)
where:
Base-Base interactions energy: -208.897
where: short stacking energy: -78.456
Base-Backbone interact. energy: -0.184
local terms energy: -106.683117
where:
bonds (distance) C4'-P energy: -19.981
bonds (distance) P-C4' energy: -19.723
flat angles C4'-P-C4' energy: -22.827
flat angles P-C4'-P energy: -16.738
tors. eta vs tors. theta energy: -27.414
Dist. restrs. and SS energy: 0.670 (S_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: 429
Temperature: 1.200000
Total energy: -268.260566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.260566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.574673 (E_RNA)
where:
Base-Base interactions energy: -177.588
where: short stacking energy: -79.363
Base-Backbone interact. energy: 0.863
local terms energy: -95.850328
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -24.751
flat angles C4'-P-C4' energy: -19.947
flat angles P-C4'-P energy: -16.137
tors. eta vs tors. theta energy: -17.303
Dist. restrs. and SS energy: 4.314 (S_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: 429
Temperature: 1.250000
Total energy: -261.125912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.125912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.704511 (E_RNA)
where:
Base-Base interactions energy: -175.885
where: short stacking energy: -56.018
Base-Backbone interact. energy: -1.383
local terms energy: -84.436070
where:
bonds (distance) C4'-P energy: -19.930
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -21.695
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -14.673
Dist. restrs. and SS energy: 0.579 (S_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: 429
Temperature: 1.300000
Total energy: -202.415102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.415102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.498151 (E_RNA)
where:
Base-Base interactions energy: -132.797
where: short stacking energy: -53.745
Base-Backbone interact. energy: -0.890
local terms energy: -69.810992
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -15.391
tors. eta vs tors. theta energy: -4.648
Dist. restrs. and SS energy: 1.083 (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: 7
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -230.211867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.211867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.307096 (E_RNA)
where:
Base-Base interactions energy: -141.182
where: short stacking energy: -53.979
Base-Backbone interact. energy: -0.327
local terms energy: -88.797874
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -24.633
flat angles C4'-P-C4' energy: -21.688
flat angles P-C4'-P energy: -17.726
tors. eta vs tors. theta energy: -9.407
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: 9
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -372.319032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.319032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.882512 (E_RNA)
where:
Base-Base interactions energy: -254.799
where: short stacking energy: -99.963
Base-Backbone interact. energy: -1.198
local terms energy: -117.885811
where:
bonds (distance) C4'-P energy: -24.743
bonds (distance) P-C4' energy: -22.497
flat angles C4'-P-C4' energy: -25.849
flat angles P-C4'-P energy: -15.205
tors. eta vs tors. theta energy: -29.592
Dist. restrs. and SS energy: 1.563 (S_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: 430
Temperature: 0.950000
Total energy: -362.635118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.635118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.964430 (E_RNA)
where:
Base-Base interactions energy: -247.703
where: short stacking energy: -96.708
Base-Backbone interact. energy: -1.752
local terms energy: -113.510233
where:
bonds (distance) C4'-P energy: -23.071
bonds (distance) P-C4' energy: -23.591
flat angles C4'-P-C4' energy: -22.177
flat angles P-C4'-P energy: -17.665
tors. eta vs tors. theta energy: -27.007
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: 3, replica: 6
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -351.923914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.923914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.487818 (E_RNA)
where:
Base-Base interactions energy: -246.008
where: short stacking energy: -95.148
Base-Backbone interact. energy: -0.620
local terms energy: -106.859966
where:
bonds (distance) C4'-P energy: -19.573
bonds (distance) P-C4' energy: -23.369
flat angles C4'-P-C4' energy: -21.473
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -28.608
Dist. restrs. and SS energy: 1.564 (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: 2
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -344.008995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.008995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.491917 (E_RNA)
where:
Base-Base interactions energy: -232.280
where: short stacking energy: -93.714
Base-Backbone interact. energy: -2.171
local terms energy: -110.041390
where:
bonds (distance) C4'-P energy: -19.646
bonds (distance) P-C4' energy: -25.286
flat angles C4'-P-C4' energy: -23.972
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -27.426
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: 5, replica: 5
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -320.607076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.607076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.486359 (E_RNA)
where:
Base-Base interactions energy: -225.288
where: short stacking energy: -88.642
Base-Backbone interact. energy: -0.238
local terms energy: -95.959774
where:
bonds (distance) C4'-P energy: -19.212
bonds (distance) P-C4' energy: -20.936
flat angles C4'-P-C4' energy: -19.243
flat angles P-C4'-P energy: -14.746
tors. eta vs tors. theta energy: -21.822
Dist. restrs. and SS energy: 0.879 (S_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: -313.885286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.885286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.650086 (E_RNA)
where:
Base-Base interactions energy: -214.056
where: short stacking energy: -72.256
Base-Backbone interact. energy: -2.163
local terms energy: -98.431313
where:
bonds (distance) C4'-P energy: -19.238
bonds (distance) P-C4' energy: -23.518
flat angles C4'-P-C4' energy: -19.610
flat angles P-C4'-P energy: -16.008
tors. eta vs tors. theta energy: -20.056
Dist. restrs. and SS energy: 0.765 (S_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: 430
Temperature: 1.200000
Total energy: -252.058987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.058987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.382809 (E_RNA)
where:
Base-Base interactions energy: -173.890
where: short stacking energy: -70.311
Base-Backbone interact. energy: 0.319
local terms energy: -83.811849
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -23.651
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -15.624
tors. eta vs tors. theta energy: -12.130
Dist. restrs. and SS energy: 5.324 (S_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: 430
Temperature: 1.250000
Total energy: -270.092713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.092713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.361933 (E_RNA)
where:
Base-Base interactions energy: -186.583
where: short stacking energy: -58.075
Base-Backbone interact. energy: -0.680
local terms energy: -84.098253
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -21.616
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -14.450
tors. eta vs tors. theta energy: -14.806
Dist. restrs. and SS energy: 1.269 (S_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: 430
Temperature: 1.300000
Total energy: -204.106155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.106155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.569529 (E_RNA)
where:
Base-Base interactions energy: -118.445
where: short stacking energy: -45.665
Base-Backbone interact. energy: -0.705
local terms energy: -86.419965
where:
bonds (distance) C4'-P energy: -23.493
bonds (distance) P-C4' energy: -20.708
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -17.037
tors. eta vs tors. theta energy: -12.229
Dist. restrs. and SS energy: 1.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -234.147204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.147204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.405109 (E_RNA)
where:
Base-Base interactions energy: -152.406
where: short stacking energy: -64.545
Base-Backbone interact. energy: 0.065
local terms energy: -83.064533
where:
bonds (distance) C4'-P energy: -18.965
bonds (distance) P-C4' energy: -20.430
flat angles C4'-P-C4' energy: -19.207
flat angles P-C4'-P energy: -13.084
tors. eta vs tors. theta energy: -11.379
Dist. restrs. and SS energy: 1.258 (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: 431
Temperature: 0.900000
Total energy: -369.877986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.877986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.183255 (E_RNA)
where:
Base-Base interactions energy: -258.936
where: short stacking energy: -100.568
Base-Backbone interact. energy: -1.383
local terms energy: -110.864309
where:
bonds (distance) C4'-P energy: -22.764
bonds (distance) P-C4' energy: -18.706
flat angles C4'-P-C4' energy: -21.411
flat angles P-C4'-P energy: -18.068
tors. eta vs tors. theta energy: -29.915
Dist. restrs. and SS energy: 1.305 (S_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: 431
Temperature: 0.950000
Total energy: -362.127584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.127584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.731092 (E_RNA)
where:
Base-Base interactions energy: -247.844
where: short stacking energy: -93.688
Base-Backbone interact. energy: -0.755
local terms energy: -114.131423
where:
bonds (distance) C4'-P energy: -21.716
bonds (distance) P-C4' energy: -22.582
flat angles C4'-P-C4' energy: -25.417
flat angles P-C4'-P energy: -17.567
tors. eta vs tors. theta energy: -26.850
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: 3, replica: 6
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -354.676838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.676838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.751728 (E_RNA)
where:
Base-Base interactions energy: -254.141
where: short stacking energy: -99.625
Base-Backbone interact. energy: -1.146
local terms energy: -100.464168
where:
bonds (distance) C4'-P energy: -18.584
bonds (distance) P-C4' energy: -18.919
flat angles C4'-P-C4' energy: -21.235
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -28.743
Dist. restrs. and SS energy: 1.075 (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: 5
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -309.341835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.341835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.238745 (E_RNA)
where:
Base-Base interactions energy: -212.724
where: short stacking energy: -83.803
Base-Backbone interact. energy: -0.022
local terms energy: -99.492984
where:
bonds (distance) C4'-P energy: -20.542
bonds (distance) P-C4' energy: -23.444
flat angles C4'-P-C4' energy: -19.637
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -26.484
Dist. restrs. and SS energy: 2.897 (S_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: 431
Temperature: 1.100000
Total energy: -337.401636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.401636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.999450 (E_RNA)
where:
Base-Base interactions energy: -245.671
where: short stacking energy: -104.379
Base-Backbone interact. energy: -0.817
local terms energy: -93.511407
where:
bonds (distance) C4'-P energy: -18.616
bonds (distance) P-C4' energy: -20.305
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -11.399
tors. eta vs tors. theta energy: -26.862
Dist. restrs. and SS energy: 2.598 (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: 8
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -326.833960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.833960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.030115 (E_RNA)
where:
Base-Base interactions energy: -229.817
where: short stacking energy: -90.569
Base-Backbone interact. energy: -1.006
local terms energy: -97.207406
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -21.846
flat angles C4'-P-C4' energy: -24.490
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -27.617
Dist. restrs. and SS energy: 1.196 (S_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: 431
Temperature: 1.200000
Total energy: -266.938668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.938668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.311945 (E_RNA)
where:
Base-Base interactions energy: -169.354
where: short stacking energy: -63.826
Base-Backbone interact. energy: -0.546
local terms energy: -100.411338
where:
bonds (distance) C4'-P energy: -23.572
bonds (distance) P-C4' energy: -25.884
flat angles C4'-P-C4' energy: -21.009
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -16.398
Dist. restrs. and SS energy: 3.373 (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: 10
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -237.522715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.522715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.145680 (E_RNA)
where:
Base-Base interactions energy: -153.691
where: short stacking energy: -66.258
Base-Backbone interact. energy: -0.786
local terms energy: -86.668775
where:
bonds (distance) C4'-P energy: -21.610
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -17.916
flat angles P-C4'-P energy: -2.622
tors. eta vs tors. theta energy: -22.160
Dist. restrs. and SS energy: 3.623 (S_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: 431
Temperature: 1.300000
Total energy: -205.975532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.975532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.970020 (E_RNA)
where:
Base-Base interactions energy: -132.456
where: short stacking energy: -55.689
Base-Backbone interact. energy: -0.353
local terms energy: -82.160223
where:
bonds (distance) C4'-P energy: -21.617
bonds (distance) P-C4' energy: -21.611
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -9.750
Dist. restrs. and SS energy: 8.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -262.721563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.721563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.785145 (E_RNA)
where:
Base-Base interactions energy: -183.774
where: short stacking energy: -81.644
Base-Backbone interact. energy: 0.645
local terms energy: -82.656753
where:
bonds (distance) C4'-P energy: -19.565
bonds (distance) P-C4' energy: -20.270
flat angles C4'-P-C4' energy: -9.991
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: -17.825
Dist. restrs. and SS energy: 3.064 (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: 1
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -356.316069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.316069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.528634 (E_RNA)
where:
Base-Base interactions energy: -249.651
where: short stacking energy: -89.522
Base-Backbone interact. energy: -1.379
local terms energy: -105.498260
where:
bonds (distance) C4'-P energy: -21.924
bonds (distance) P-C4' energy: -19.799
flat angles C4'-P-C4' energy: -26.500
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -27.075
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: 2, replica: 9
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -363.811798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.811798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.942435 (E_RNA)
where:
Base-Base interactions energy: -257.172
where: short stacking energy: -98.627
Base-Backbone interact. energy: -0.580
local terms energy: -107.190499
where:
bonds (distance) C4'-P energy: -25.530
bonds (distance) P-C4' energy: -19.318
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -14.909
tors. eta vs tors. theta energy: -28.864
Dist. restrs. and SS energy: 1.131 (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: 6
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -365.206489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.206489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.552543 (E_RNA)
where:
Base-Base interactions energy: -252.258
where: short stacking energy: -100.320
Base-Backbone interact. energy: -1.433
local terms energy: -112.861848
where:
bonds (distance) C4'-P energy: -19.954
bonds (distance) P-C4' energy: -22.411
flat angles C4'-P-C4' energy: -23.390
flat angles P-C4'-P energy: -17.966
tors. eta vs tors. theta energy: -29.142
Dist. restrs. and SS energy: 1.346 (S_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: 432
Temperature: 1.050000
Total energy: -326.686665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.686665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.985684 (E_RNA)
where:
Base-Base interactions energy: -215.844
where: short stacking energy: -90.299
Base-Backbone interact. energy: -0.765
local terms energy: -111.376848
where:
bonds (distance) C4'-P energy: -22.554
bonds (distance) P-C4' energy: -20.751
flat angles C4'-P-C4' energy: -24.987
flat angles P-C4'-P energy: -15.774
tors. eta vs tors. theta energy: -27.312
Dist. restrs. and SS energy: 1.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -341.730139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.730139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.755598 (E_RNA)
where:
Base-Base interactions energy: -240.389
where: short stacking energy: -90.765
Base-Backbone interact. energy: -0.683
local terms energy: -101.683689
where:
bonds (distance) C4'-P energy: -19.995
bonds (distance) P-C4' energy: -24.808
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -13.285
tors. eta vs tors. theta energy: -28.774
Dist. restrs. and SS energy: 1.025 (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: 8
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -334.691288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.691288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.605680 (E_RNA)
where:
Base-Base interactions energy: -239.105
where: short stacking energy: -98.524
Base-Backbone interact. energy: -0.101
local terms energy: -96.399328
where:
bonds (distance) C4'-P energy: -23.891
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -22.131
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -26.097
Dist. restrs. and SS energy: 0.914 (S_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: 432
Temperature: 1.200000
Total energy: -261.386636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.386636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.189528 (E_RNA)
where:
Base-Base interactions energy: -164.993
where: short stacking energy: -75.080
Base-Backbone interact. energy: 2.018
local terms energy: -102.214793
where:
bonds (distance) C4'-P energy: -21.043
bonds (distance) P-C4' energy: -23.976
flat angles C4'-P-C4' energy: -20.292
flat angles P-C4'-P energy: -18.229
tors. eta vs tors. theta energy: -18.675
Dist. restrs. and SS energy: 3.803 (S_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: 432
Temperature: 1.250000
Total energy: -266.482555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.482555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.789576 (E_RNA)
where:
Base-Base interactions energy: -168.552
where: short stacking energy: -67.974
Base-Backbone interact. energy: -0.630
local terms energy: -101.607414
where:
bonds (distance) C4'-P energy: -22.955
bonds (distance) P-C4' energy: -26.333
flat angles C4'-P-C4' energy: -20.337
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -20.329
Dist. restrs. and SS energy: 4.307 (S_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: 432
Temperature: 1.300000
Total energy: -233.457736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.457736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.655847 (E_RNA)
where:
Base-Base interactions energy: -151.356
where: short stacking energy: -55.811
Base-Backbone interact. energy: -1.253
local terms energy: -86.047160
where:
bonds (distance) C4'-P energy: -23.245
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -22.166
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -13.513
Dist. restrs. and SS energy: 5.198 (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: 7
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -235.679374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.679374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.905938 (E_RNA)
where:
Base-Base interactions energy: -162.319
where: short stacking energy: -70.062
Base-Backbone interact. energy: -0.438
local terms energy: -78.149572
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -18.160
Dist. restrs. and SS energy: 5.227 (S_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: 433
Temperature: 0.900000
Total energy: -363.332159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.332159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.944170 (E_RNA)
where:
Base-Base interactions energy: -243.947
where: short stacking energy: -98.354
Base-Backbone interact. energy: -2.287
local terms energy: -117.709499
where:
bonds (distance) C4'-P energy: -25.668
bonds (distance) P-C4' energy: -24.605
flat angles C4'-P-C4' energy: -24.584
flat angles P-C4'-P energy: -14.852
tors. eta vs tors. theta energy: -28.001
Dist. restrs. and SS energy: 0.612 (S_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: 433
Temperature: 0.950000
Total energy: -360.722052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.722052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.555782 (E_RNA)
where:
Base-Base interactions energy: -244.125
where: short stacking energy: -97.834
Base-Backbone interact. energy: -0.930
local terms energy: -116.501152
where:
bonds (distance) C4'-P energy: -21.506
bonds (distance) P-C4' energy: -23.239
flat angles C4'-P-C4' energy: -23.585
flat angles P-C4'-P energy: -18.533
tors. eta vs tors. theta energy: -29.637
Dist. restrs. and SS energy: 0.834 (S_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: -347.791481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.791481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.166349 (E_RNA)
where:
Base-Base interactions energy: -251.426
where: short stacking energy: -87.920
Base-Backbone interact. energy: -1.058
local terms energy: -96.682211
where:
bonds (distance) C4'-P energy: -23.477
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -18.054
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -26.394
Dist. restrs. and SS energy: 1.375 (S_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: 433
Temperature: 1.050000
Total energy: -348.801309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.801309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.022517 (E_RNA)
where:
Base-Base interactions energy: -252.356
where: short stacking energy: -95.215
Base-Backbone interact. energy: -0.344
local terms energy: -98.323199
where:
bonds (distance) C4'-P energy: -19.043
bonds (distance) P-C4' energy: -19.250
flat angles C4'-P-C4' energy: -20.894
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -26.826
Dist. restrs. and SS energy: 2.221 (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: 5
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -314.169489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.169489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.785740 (E_RNA)
where:
Base-Base interactions energy: -209.476
where: short stacking energy: -82.519
Base-Backbone interact. energy: -0.646
local terms energy: -105.664397
where:
bonds (distance) C4'-P energy: -21.109
bonds (distance) P-C4' energy: -23.753
flat angles C4'-P-C4' energy: -25.267
flat angles P-C4'-P energy: -16.643
tors. eta vs tors. theta energy: -18.892
Dist. restrs. and SS energy: 1.616 (S_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: -326.949379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.949379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.789551 (E_RNA)
where:
Base-Base interactions energy: -233.754
where: short stacking energy: -89.438
Base-Backbone interact. energy: 0.662
local terms energy: -95.697220
where:
bonds (distance) C4'-P energy: -19.241
bonds (distance) P-C4' energy: -22.654
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -23.144
Dist. restrs. and SS energy: 1.840 (S_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: 433
Temperature: 1.200000
Total energy: -271.839781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.839781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.413358 (E_RNA)
where:
Base-Base interactions energy: -187.387
where: short stacking energy: -72.044
Base-Backbone interact. energy: -1.195
local terms energy: -83.832108
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -23.183
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: -16.147
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: 8, replica: 4
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -268.225044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.225044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.343659 (E_RNA)
where:
Base-Base interactions energy: -183.146
where: short stacking energy: -69.674
Base-Backbone interact. energy: -0.798
local terms energy: -84.400524
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -22.104
flat angles C4'-P-C4' energy: -20.219
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -14.788
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: 3
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -231.482303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.482303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.991594 (E_RNA)
where:
Base-Base interactions energy: -149.909
where: short stacking energy: -61.372
Base-Backbone interact. energy: -0.492
local terms energy: -83.590538
where:
bonds (distance) C4'-P energy: -19.093
bonds (distance) P-C4' energy: -20.652
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -13.844
Dist. restrs. and SS energy: 2.509 (S_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: 433
Temperature: 1.350000
Total energy: -211.940232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.940232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.027356 (E_RNA)
where:
Base-Base interactions energy: -152.215
where: short stacking energy: -49.158
Base-Backbone interact. energy: -1.273
local terms energy: -65.539119
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -8.259
Dist. restrs. and SS energy: 7.087 (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: 9
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -361.402243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.402243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.468342 (E_RNA)
where:
Base-Base interactions energy: -254.861
where: short stacking energy: -102.396
Base-Backbone interact. energy: -0.390
local terms energy: -107.217670
where:
bonds (distance) C4'-P energy: -24.185
bonds (distance) P-C4' energy: -18.027
flat angles C4'-P-C4' energy: -23.715
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -28.606
Dist. restrs. and SS energy: 1.066 (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: 1
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -359.201552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.201552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.536032 (E_RNA)
where:
Base-Base interactions energy: -256.102
where: short stacking energy: -103.274
Base-Backbone interact. energy: -0.760
local terms energy: -103.673772
where:
bonds (distance) C4'-P energy: -22.266
bonds (distance) P-C4' energy: -24.211
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -27.427
Dist. restrs. and SS energy: 1.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -367.592638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.592638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.564542 (E_RNA)
where:
Base-Base interactions energy: -256.547
where: short stacking energy: -101.108
Base-Backbone interact. energy: -0.380
local terms energy: -111.637838
where:
bonds (distance) C4'-P energy: -23.658
bonds (distance) P-C4' energy: -19.658
flat angles C4'-P-C4' energy: -22.873
flat angles P-C4'-P energy: -16.680
tors. eta vs tors. theta energy: -28.769
Dist. restrs. and SS energy: 0.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -343.997238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.997238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.449380 (E_RNA)
where:
Base-Base interactions energy: -247.100
where: short stacking energy: -94.570
Base-Backbone interact. energy: 2.379
local terms energy: -100.728944
where:
bonds (distance) C4'-P energy: -16.948
bonds (distance) P-C4' energy: -22.644
flat angles C4'-P-C4' energy: -18.351
flat angles P-C4'-P energy: -16.502
tors. eta vs tors. theta energy: -26.284
Dist. restrs. and SS energy: 1.452 (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: 8
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -338.277254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.277254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.247317 (E_RNA)
where:
Base-Base interactions energy: -247.474
where: short stacking energy: -98.343
Base-Backbone interact. energy: 0.220
local terms energy: -91.993351
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -21.729
flat angles P-C4'-P energy: -13.731
tors. eta vs tors. theta energy: -25.649
Dist. restrs. and SS energy: 0.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -303.633544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.633544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.773740 (E_RNA)
where:
Base-Base interactions energy: -209.234
where: short stacking energy: -92.538
Base-Backbone interact. energy: 0.226
local terms energy: -94.765804
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -23.138
flat angles C4'-P-C4' energy: -19.174
flat angles P-C4'-P energy: -14.287
tors. eta vs tors. theta energy: -22.577
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: 7, replica: 4
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -259.108016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.108016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.193672 (E_RNA)
where:
Base-Base interactions energy: -170.496
where: short stacking energy: -71.450
Base-Backbone interact. energy: -0.131
local terms energy: -94.567179
where:
bonds (distance) C4'-P energy: -19.701
bonds (distance) P-C4' energy: -16.941
flat angles C4'-P-C4' energy: -22.923
flat angles P-C4'-P energy: -17.540
tors. eta vs tors. theta energy: -17.462
Dist. restrs. and SS energy: 6.086 (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: 10
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -238.398960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.398960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.998326 (E_RNA)
where:
Base-Base interactions energy: -166.159
where: short stacking energy: -69.292
Base-Backbone interact. energy: -1.698
local terms energy: -72.141902
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -21.548
flat angles C4'-P-C4' energy: -9.169
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -13.670
Dist. restrs. and SS energy: 1.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -244.163972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.163972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.593072 (E_RNA)
where:
Base-Base interactions energy: -154.572
where: short stacking energy: -70.517
Base-Backbone interact. energy: -0.391
local terms energy: -91.630406
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -22.232
flat angles C4'-P-C4' energy: -20.752
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -23.450
Dist. restrs. and SS energy: 2.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -215.511306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.511306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.509439 (E_RNA)
where:
Base-Base interactions energy: -142.001
where: short stacking energy: -49.910
Base-Backbone interact. energy: -1.175
local terms energy: -76.333235
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -23.926
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -15.431
tors. eta vs tors. theta energy: -7.053
Dist. restrs. and SS energy: 3.998 (S_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: 435
Temperature: 0.900000
Total energy: -368.492325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.492325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.106206 (E_RNA)
where:
Base-Base interactions energy: -254.756
where: short stacking energy: -94.589
Base-Backbone interact. energy: -1.195
local terms energy: -113.155563
where:
bonds (distance) C4'-P energy: -18.454
bonds (distance) P-C4' energy: -27.202
flat angles C4'-P-C4' energy: -22.769
flat angles P-C4'-P energy: -20.098
tors. eta vs tors. theta energy: -24.632
Dist. restrs. and SS energy: 0.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -363.251172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.251172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.580294 (E_RNA)
where:
Base-Base interactions energy: -242.410
where: short stacking energy: -106.180
Base-Backbone interact. energy: -0.828
local terms energy: -120.342641
where:
bonds (distance) C4'-P energy: -21.583
bonds (distance) P-C4' energy: -25.290
flat angles C4'-P-C4' energy: -26.834
flat angles P-C4'-P energy: -15.270
tors. eta vs tors. theta energy: -31.365
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: 3, replica: 1
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -354.879106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.879106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.111734 (E_RNA)
where:
Base-Base interactions energy: -247.502
where: short stacking energy: -90.544
Base-Backbone interact. energy: -0.806
local terms energy: -107.803294
where:
bonds (distance) C4'-P energy: -20.290
bonds (distance) P-C4' energy: -23.429
flat angles C4'-P-C4' energy: -20.944
flat angles P-C4'-P energy: -18.098
tors. eta vs tors. theta energy: -25.042
Dist. restrs. and SS energy: 1.233 (S_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: 435
Temperature: 1.050000
Total energy: -347.697188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.697188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.115773 (E_RNA)
where:
Base-Base interactions energy: -254.649
where: short stacking energy: -97.136
Base-Backbone interact. energy: -1.064
local terms energy: -93.402589
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -24.965
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -26.532
Dist. restrs. and SS energy: 1.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -339.379727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.379727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.159135 (E_RNA)
where:
Base-Base interactions energy: -231.570
where: short stacking energy: -86.397
Base-Backbone interact. energy: 0.741
local terms energy: -110.329728
where:
bonds (distance) C4'-P energy: -21.071
bonds (distance) P-C4' energy: -23.704
flat angles C4'-P-C4' energy: -24.512
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -29.603
Dist. restrs. and SS energy: 1.779 (S_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: 435
Temperature: 1.150000
Total energy: -304.710026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.710026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.836943 (E_RNA)
where:
Base-Base interactions energy: -211.986
where: short stacking energy: -73.305
Base-Backbone interact. energy: -0.246
local terms energy: -92.604915
where:
bonds (distance) C4'-P energy: -21.830
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -21.291
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: -21.314
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: 435
Temperature: 1.200000
Total energy: -267.268222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.268222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.055448 (E_RNA)
where:
Base-Base interactions energy: -180.078
where: short stacking energy: -71.394
Base-Backbone interact. energy: -0.537
local terms energy: -90.439583
where:
bonds (distance) C4'-P energy: -20.207
bonds (distance) P-C4' energy: -19.840
flat angles C4'-P-C4' energy: -23.913
flat angles P-C4'-P energy: -6.088
tors. eta vs tors. theta energy: -20.392
Dist. restrs. and SS energy: 3.787 (S_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: 435
Temperature: 1.250000
Total energy: -230.690359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.690359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.544227 (E_RNA)
where:
Base-Base interactions energy: -152.461
where: short stacking energy: -58.738
Base-Backbone interact. energy: -0.837
local terms energy: -82.246243
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -20.099
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -15.507
Dist. restrs. and SS energy: 4.854 (S_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: -223.502130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.502130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.611064 (E_RNA)
where:
Base-Base interactions energy: -141.426
where: short stacking energy: -65.187
Base-Backbone interact. energy: -0.261
local terms energy: -82.923267
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -22.774
flat angles C4'-P-C4' energy: -20.662
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -11.672
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: 7
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -225.063552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.063552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.981960 (E_RNA)
where:
Base-Base interactions energy: -162.340
where: short stacking energy: -61.572
Base-Backbone interact. energy: -0.955
local terms energy: -70.686386
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -19.536
flat angles C4'-P-C4' energy: -19.074
flat angles P-C4'-P energy: -6.300
tors. eta vs tors. theta energy: -8.633
Dist. restrs. and SS energy: 8.918 (S_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: 436
Temperature: 0.900000
Total energy: -366.837404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.837404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.892544 (E_RNA)
where:
Base-Base interactions energy: -245.001
where: short stacking energy: -96.503
Base-Backbone interact. energy: -0.365
local terms energy: -121.526225
where:
bonds (distance) C4'-P energy: -24.733
bonds (distance) P-C4' energy: -22.491
flat angles C4'-P-C4' energy: -24.822
flat angles P-C4'-P energy: -17.805
tors. eta vs tors. theta energy: -31.675
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: 2
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -359.289037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.289037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.430304 (E_RNA)
where:
Base-Base interactions energy: -249.283
where: short stacking energy: -94.837
Base-Backbone interact. energy: -0.417
local terms energy: -109.730613
where:
bonds (distance) C4'-P energy: -17.411
bonds (distance) P-C4' energy: -27.467
flat angles C4'-P-C4' energy: -22.112
flat angles P-C4'-P energy: -17.202
tors. eta vs tors. theta energy: -25.538
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: 3, replica: 8
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -345.092811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.092811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.209257 (E_RNA)
where:
Base-Base interactions energy: -245.872
where: short stacking energy: -98.786
Base-Backbone interact. energy: -0.736
local terms energy: -99.600843
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -22.033
flat angles C4'-P-C4' energy: -19.649
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -27.431
Dist. restrs. and SS energy: 1.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -344.087939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.087939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.249725 (E_RNA)
where:
Base-Base interactions energy: -247.166
where: short stacking energy: -100.796
Base-Backbone interact. energy: 1.027
local terms energy: -99.110920
where:
bonds (distance) C4'-P energy: -9.422
bonds (distance) P-C4' energy: -24.057
flat angles C4'-P-C4' energy: -22.038
flat angles P-C4'-P energy: -15.848
tors. eta vs tors. theta energy: -27.746
Dist. restrs. and SS energy: 1.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -318.728719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.728719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.644504 (E_RNA)
where:
Base-Base interactions energy: -215.220
where: short stacking energy: -88.787
Base-Backbone interact. energy: -0.394
local terms energy: -105.029748
where:
bonds (distance) C4'-P energy: -19.381
bonds (distance) P-C4' energy: -22.880
flat angles C4'-P-C4' energy: -21.170
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -27.734
Dist. restrs. and SS energy: 1.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -328.721961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.721961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.158445 (E_RNA)
where:
Base-Base interactions energy: -224.887
where: short stacking energy: -94.297
Base-Backbone interact. energy: -0.235
local terms energy: -104.035915
where:
bonds (distance) C4'-P energy: -20.479
bonds (distance) P-C4' energy: -22.060
flat angles C4'-P-C4' energy: -24.457
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -25.365
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: 7, replica: 3
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -260.796937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.796937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.969640 (E_RNA)
where:
Base-Base interactions energy: -171.016
where: short stacking energy: -68.747
Base-Backbone interact. energy: -0.648
local terms energy: -94.306151
where:
bonds (distance) C4'-P energy: -20.099
bonds (distance) P-C4' energy: -23.582
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -16.486
tors. eta vs tors. theta energy: -17.004
Dist. restrs. and SS energy: 5.173 (S_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: 436
Temperature: 1.250000
Total energy: -250.514811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.514811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.450378 (E_RNA)
where:
Base-Base interactions energy: -180.577
where: short stacking energy: -69.330
Base-Backbone interact. energy: -1.518
local terms energy: -69.354713
where:
bonds (distance) C4'-P energy: -18.165
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -17.804
flat angles P-C4'-P energy: -4.552
tors. eta vs tors. theta energy: -10.437
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: 9, replica: 7
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -226.702536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.702536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.540615 (E_RNA)
where:
Base-Base interactions energy: -144.331
where: short stacking energy: -58.614
Base-Backbone interact. energy: 3.123
local terms energy: -86.332774
where:
bonds (distance) C4'-P energy: -23.589
bonds (distance) P-C4' energy: -24.772
flat angles C4'-P-C4' energy: -10.155
flat angles P-C4'-P energy: -17.652
tors. eta vs tors. theta energy: -10.164
Dist. restrs. and SS energy: 0.838 (S_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: -229.767601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.767601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.660775 (E_RNA)
where:
Base-Base interactions energy: -147.397
where: short stacking energy: -61.438
Base-Backbone interact. energy: -0.118
local terms energy: -86.144932
where:
bonds (distance) C4'-P energy: -21.851
bonds (distance) P-C4' energy: -24.525
flat angles C4'-P-C4' energy: -20.058
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -10.010
Dist. restrs. and SS energy: 3.893 (S_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: 437
Temperature: 0.900000
Total energy: -372.352689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.352689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.484304 (E_RNA)
where:
Base-Base interactions energy: -257.100
where: short stacking energy: -101.537
Base-Backbone interact. energy: -0.489
local terms energy: -115.894927
where:
bonds (distance) C4'-P energy: -21.448
bonds (distance) P-C4' energy: -22.385
flat angles C4'-P-C4' energy: -26.074
flat angles P-C4'-P energy: -16.138
tors. eta vs tors. theta energy: -29.850
Dist. restrs. and SS energy: 1.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -356.755576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.755576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.089942 (E_RNA)
where:
Base-Base interactions energy: -252.028
where: short stacking energy: -96.721
Base-Backbone interact. energy: -1.139
local terms energy: -104.922385
where:
bonds (distance) C4'-P energy: -20.628
bonds (distance) P-C4' energy: -21.931
flat angles C4'-P-C4' energy: -22.676
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -27.587
Dist. restrs. and SS energy: 1.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -350.259069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.259069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.259069 (E_RNA)
where:
Base-Base interactions energy: -245.983
where: short stacking energy: -88.163
Base-Backbone interact. energy: -0.611
local terms energy: -103.664812
where:
bonds (distance) C4'-P energy: -22.736
bonds (distance) P-C4' energy: -25.080
flat angles C4'-P-C4' energy: -18.491
flat angles P-C4'-P energy: -15.103
tors. eta vs tors. theta energy: -22.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -331.428895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.428895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.229014 (E_RNA)
where:
Base-Base interactions energy: -221.014
where: short stacking energy: -100.448
Base-Backbone interact. energy: -0.494
local terms energy: -110.721690
where:
bonds (distance) C4'-P energy: -21.923
bonds (distance) P-C4' energy: -24.863
flat angles C4'-P-C4' energy: -20.207
flat angles P-C4'-P energy: -17.013
tors. eta vs tors. theta energy: -26.716
Dist. restrs. and SS energy: 0.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -308.399340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.399340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.672656 (E_RNA)
where:
Base-Base interactions energy: -204.685
where: short stacking energy: -79.006
Base-Backbone interact. energy: 0.403
local terms energy: -105.390811
where:
bonds (distance) C4'-P energy: -24.988
bonds (distance) P-C4' energy: -18.392
flat angles C4'-P-C4' energy: -22.854
flat angles P-C4'-P energy: -15.352
tors. eta vs tors. theta energy: -23.806
Dist. restrs. and SS energy: 1.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -345.314921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.314921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.552717 (E_RNA)
where:
Base-Base interactions energy: -243.271
where: short stacking energy: -97.788
Base-Backbone interact. energy: -0.677
local terms energy: -102.605547
where:
bonds (distance) C4'-P energy: -19.078
bonds (distance) P-C4' energy: -20.014
flat angles C4'-P-C4' energy: -22.484
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -28.579
Dist. restrs. and SS energy: 1.238 (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: 3
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -285.839563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.839563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.029417 (E_RNA)
where:
Base-Base interactions energy: -199.841
where: short stacking energy: -86.140
Base-Backbone interact. energy: -0.381
local terms energy: -86.807029
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -21.043
flat angles C4'-P-C4' energy: -23.090
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -19.207
Dist. restrs. and SS energy: 1.190 (S_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: 437
Temperature: 1.250000
Total energy: -256.532512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.532512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.543299 (E_RNA)
where:
Base-Base interactions energy: -176.595
where: short stacking energy: -76.284
Base-Backbone interact. energy: -0.430
local terms energy: -81.517601
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -18.652
flat angles C4'-P-C4' energy: -19.618
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -17.119
Dist. restrs. and SS energy: 2.011 (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: 4
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -241.845490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.845490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.781617 (E_RNA)
where:
Base-Base interactions energy: -163.362
where: short stacking energy: -57.189
Base-Backbone interact. energy: -2.564
local terms energy: -77.855388
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -24.424
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -14.572
Dist. restrs. and SS energy: 1.936 (S_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: -209.818490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.818490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.978993 (E_RNA)
where:
Base-Base interactions energy: -134.704
where: short stacking energy: -59.003
Base-Backbone interact. energy: -0.254
local terms energy: -77.020738
where:
bonds (distance) C4'-P energy: -24.428
bonds (distance) P-C4' energy: -21.779
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -4.400
Dist. restrs. and SS energy: 2.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -368.762707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.762707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.585226 (E_RNA)
where:
Base-Base interactions energy: -254.799
where: short stacking energy: -96.616
Base-Backbone interact. energy: -1.136
local terms energy: -113.650529
where:
bonds (distance) C4'-P energy: -24.652
bonds (distance) P-C4' energy: -20.771
flat angles C4'-P-C4' energy: -22.739
flat angles P-C4'-P energy: -17.161
tors. eta vs tors. theta energy: -28.327
Dist. restrs. and SS energy: 0.823 (S_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: 438
Temperature: 0.950000
Total energy: -360.612240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.612240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.207193 (E_RNA)
where:
Base-Base interactions energy: -246.421
where: short stacking energy: -99.101
Base-Backbone interact. energy: -1.903
local terms energy: -112.882912
where:
bonds (distance) C4'-P energy: -21.681
bonds (distance) P-C4' energy: -23.043
flat angles C4'-P-C4' energy: -25.858
flat angles P-C4'-P energy: -17.697
tors. eta vs tors. theta energy: -24.603
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: 3, replica: 1
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -356.948989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.948989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.631164 (E_RNA)
where:
Base-Base interactions energy: -243.959
where: short stacking energy: -102.885
Base-Backbone interact. energy: -0.621
local terms energy: -113.051258
where:
bonds (distance) C4'-P energy: -23.636
bonds (distance) P-C4' energy: -23.542
flat angles C4'-P-C4' energy: -24.095
flat angles P-C4'-P energy: -15.361
tors. eta vs tors. theta energy: -26.417
Dist. restrs. and SS energy: 0.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -343.447236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.447236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.480697 (E_RNA)
where:
Base-Base interactions energy: -245.365
where: short stacking energy: -94.947
Base-Backbone interact. energy: -0.896
local terms energy: -99.219618
where:
bonds (distance) C4'-P energy: -16.349
bonds (distance) P-C4' energy: -21.104
flat angles C4'-P-C4' energy: -22.320
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -27.394
Dist. restrs. and SS energy: 2.033 (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: 6
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -341.604430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.604430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.717558 (E_RNA)
where:
Base-Base interactions energy: -240.800
where: short stacking energy: -82.894
Base-Backbone interact. energy: -0.146
local terms energy: -101.772171
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -21.457
flat angles C4'-P-C4' energy: -23.636
flat angles P-C4'-P energy: -14.793
tors. eta vs tors. theta energy: -25.241
Dist. restrs. and SS energy: 1.113 (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: 5
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -300.719937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.719937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.531762 (E_RNA)
where:
Base-Base interactions energy: -210.295
where: short stacking energy: -86.421
Base-Backbone interact. energy: -0.051
local terms energy: -92.185386
where:
bonds (distance) C4'-P energy: -19.050
bonds (distance) P-C4' energy: -17.685
flat angles C4'-P-C4' energy: -27.198
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: -21.021
Dist. restrs. and SS energy: 1.812 (S_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: 438
Temperature: 1.200000
Total energy: -248.516868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.516868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.850465 (E_RNA)
where:
Base-Base interactions energy: -159.673
where: short stacking energy: -68.128
Base-Backbone interact. energy: -0.244
local terms energy: -91.933453
where:
bonds (distance) C4'-P energy: -20.219
bonds (distance) P-C4' energy: -24.264
flat angles C4'-P-C4' energy: -18.512
flat angles P-C4'-P energy: -16.653
tors. eta vs tors. theta energy: -12.285
Dist. restrs. and SS energy: 3.334 (S_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: 438
Temperature: 1.250000
Total energy: -268.996392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.996392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.708598 (E_RNA)
where:
Base-Base interactions energy: -178.162
where: short stacking energy: -63.266
Base-Backbone interact. energy: -1.271
local terms energy: -93.275368
where:
bonds (distance) C4'-P energy: -24.053
bonds (distance) P-C4' energy: -22.438
flat angles C4'-P-C4' energy: -20.837
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -13.902
Dist. restrs. and SS energy: 3.712 (S_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: -233.268082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.268082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.975588 (E_RNA)
where:
Base-Base interactions energy: -172.798
where: short stacking energy: -62.792
Base-Backbone interact. energy: 0.199
local terms energy: -62.376478
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -16.739
flat angles C4'-P-C4' energy: -8.456
flat angles P-C4'-P energy: -13.504
tors. eta vs tors. theta energy: -10.915
Dist. restrs. and SS energy: 1.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -237.258301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.258301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.641028 (E_RNA)
where:
Base-Base interactions energy: -155.340
where: short stacking energy: -58.274
Base-Backbone interact. energy: -0.222
local terms energy: -85.079447
where:
bonds (distance) C4'-P energy: -21.716
bonds (distance) P-C4' energy: -23.357
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -14.120
tors. eta vs tors. theta energy: -14.094
Dist. restrs. and SS energy: 3.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -369.084283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.084283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.443933 (E_RNA)
where:
Base-Base interactions energy: -259.052
where: short stacking energy: -105.511
Base-Backbone interact. energy: 1.863
local terms energy: -113.254463
where:
bonds (distance) C4'-P energy: -20.023
bonds (distance) P-C4' energy: -24.116
flat angles C4'-P-C4' energy: -22.656
flat angles P-C4'-P energy: -16.894
tors. eta vs tors. theta energy: -29.565
Dist. restrs. and SS energy: 1.360 (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: 1
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -366.679047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.679047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.796894 (E_RNA)
where:
Base-Base interactions energy: -249.726
where: short stacking energy: -98.346
Base-Backbone interact. energy: 0.524
local terms energy: -117.594507
where:
bonds (distance) C4'-P energy: -24.405
bonds (distance) P-C4' energy: -26.547
flat angles C4'-P-C4' energy: -22.569
flat angles P-C4'-P energy: -16.950
tors. eta vs tors. theta energy: -27.123
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: 9
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -355.748694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.748694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.406931 (E_RNA)
where:
Base-Base interactions energy: -255.331
where: short stacking energy: -93.825
Base-Backbone interact. energy: -0.510
local terms energy: -101.565574
where:
bonds (distance) C4'-P energy: -20.364
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -21.653
flat angles P-C4'-P energy: -17.990
tors. eta vs tors. theta energy: -27.720
Dist. restrs. and SS energy: 1.658 (S_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: 439
Temperature: 1.050000
Total energy: -341.103756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.103756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.861595 (E_RNA)
where:
Base-Base interactions energy: -241.776
where: short stacking energy: -86.647
Base-Backbone interact. energy: -0.820
local terms energy: -100.265746
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -21.072
flat angles C4'-P-C4' energy: -21.472
flat angles P-C4'-P energy: -17.983
tors. eta vs tors. theta energy: -24.444
Dist. restrs. and SS energy: 1.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -326.093378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.093378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.870649 (E_RNA)
where:
Base-Base interactions energy: -239.258
where: short stacking energy: -94.418
Base-Backbone interact. energy: -1.669
local terms energy: -86.943766
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -19.184
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -25.843
Dist. restrs. and SS energy: 1.777 (S_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: 439
Temperature: 1.150000
Total energy: -279.439442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.439442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.348288 (E_RNA)
where:
Base-Base interactions energy: -191.918
where: short stacking energy: -70.412
Base-Backbone interact. energy: 0.675
local terms energy: -89.106016
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -23.103
flat angles C4'-P-C4' energy: -20.526
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -18.760
Dist. restrs. and SS energy: 0.909 (S_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: 439
Temperature: 1.200000
Total energy: -266.871911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.871911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.104223 (E_RNA)
where:
Base-Base interactions energy: -178.975
where: short stacking energy: -67.285
Base-Backbone interact. energy: -0.459
local terms energy: -88.669975
where:
bonds (distance) C4'-P energy: -19.113
bonds (distance) P-C4' energy: -23.407
flat angles C4'-P-C4' energy: -22.738
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -9.649
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: 8, replica: 3
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -259.607025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.607025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.782940 (E_RNA)
where:
Base-Base interactions energy: -178.814
where: short stacking energy: -77.532
Base-Backbone interact. energy: -0.322
local terms energy: -82.646081
where:
bonds (distance) C4'-P energy: -22.718
bonds (distance) P-C4' energy: -18.947
flat angles C4'-P-C4' energy: -8.127
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -21.307
Dist. restrs. and SS energy: 2.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -230.248693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.248693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.994274 (E_RNA)
where:
Base-Base interactions energy: -152.307
where: short stacking energy: -55.260
Base-Backbone interact. energy: -0.545
local terms energy: -80.142798
where:
bonds (distance) C4'-P energy: -18.906
bonds (distance) P-C4' energy: -24.454
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -8.049
tors. eta vs tors. theta energy: -13.607
Dist. restrs. and SS energy: 2.746 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -231.066523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.066523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.954863 (E_RNA)
where:
Base-Base interactions energy: -156.248
where: short stacking energy: -64.510
Base-Backbone interact. energy: 0.481
local terms energy: -78.188196
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -21.350
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: -12.081
Dist. restrs. and SS energy: 2.888 (S_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: 440
Temperature: 0.900000
Total energy: -365.632793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.632793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.379978 (E_RNA)
where:
Base-Base interactions energy: -255.845
where: short stacking energy: -106.804
Base-Backbone interact. energy: 0.322
local terms energy: -111.856936
where:
bonds (distance) C4'-P energy: -21.585
bonds (distance) P-C4' energy: -20.631
flat angles C4'-P-C4' energy: -22.440
flat angles P-C4'-P energy: -16.465
tors. eta vs tors. theta energy: -30.738
Dist. restrs. and SS energy: 1.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -370.298813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.298813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.707833 (E_RNA)
where:
Base-Base interactions energy: -258.923
where: short stacking energy: -100.369
Base-Backbone interact. energy: -0.735
local terms energy: -112.049215
where:
bonds (distance) C4'-P energy: -25.252
bonds (distance) P-C4' energy: -20.128
flat angles C4'-P-C4' energy: -21.394
flat angles P-C4'-P energy: -16.503
tors. eta vs tors. theta energy: -28.772
Dist. restrs. and SS energy: 1.409 (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: 2
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -356.080072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.080072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.917268 (E_RNA)
where:
Base-Base interactions energy: -236.766
where: short stacking energy: -93.287
Base-Backbone interact. energy: 0.037
local terms energy: -120.187342
where:
bonds (distance) C4'-P energy: -26.502
bonds (distance) P-C4' energy: -26.309
flat angles C4'-P-C4' energy: -20.838
flat angles P-C4'-P energy: -16.327
tors. eta vs tors. theta energy: -30.211
Dist. restrs. and SS energy: 0.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -352.706738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.706738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.951658 (E_RNA)
where:
Base-Base interactions energy: -248.714
where: short stacking energy: -99.044
Base-Backbone interact. energy: -0.298
local terms energy: -104.939209
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -21.738
flat angles C4'-P-C4' energy: -24.304
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -27.021
Dist. restrs. and SS energy: 1.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -328.863828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.863828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.470307 (E_RNA)
where:
Base-Base interactions energy: -233.408
where: short stacking energy: -85.738
Base-Backbone interact. energy: -0.843
local terms energy: -95.219496
where:
bonds (distance) C4'-P energy: -18.794
bonds (distance) P-C4' energy: -21.890
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -14.248
tors. eta vs tors. theta energy: -21.730
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: 5
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -297.724500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.724500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.003579 (E_RNA)
where:
Base-Base interactions energy: -210.656
where: short stacking energy: -77.638
Base-Backbone interact. energy: -0.645
local terms energy: -87.703087
where:
bonds (distance) C4'-P energy: -20.860
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -17.101
tors. eta vs tors. theta energy: -18.485
Dist. restrs. and SS energy: 1.279 (S_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: 440
Temperature: 1.200000
Total energy: -237.724348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.724348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.901000 (E_RNA)
where:
Base-Base interactions energy: -156.363
where: short stacking energy: -52.825
Base-Backbone interact. energy: -0.914
local terms energy: -82.623879
where:
bonds (distance) C4'-P energy: -24.068
bonds (distance) P-C4' energy: -19.730
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -13.264
Dist. restrs. and SS energy: 2.177 (S_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: 440
Temperature: 1.250000
Total energy: -247.570053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.570053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.481336 (E_RNA)
where:
Base-Base interactions energy: -167.516
where: short stacking energy: -58.741
Base-Backbone interact. energy: -0.181
local terms energy: -81.784741
where:
bonds (distance) C4'-P energy: -18.860
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -15.783
Dist. restrs. and SS energy: 1.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -224.543407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.543407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.289543 (E_RNA)
where:
Base-Base interactions energy: -152.628
where: short stacking energy: -63.270
Base-Backbone interact. energy: -0.386
local terms energy: -73.275693
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -19.523
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -9.774
Dist. restrs. and SS energy: 1.746 (S_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: 440
Temperature: 1.350000
Total energy: -206.532429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.532429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.192244 (E_RNA)
where:
Base-Base interactions energy: -129.531
where: short stacking energy: -59.718
Base-Backbone interact. energy: -0.585
local terms energy: -82.076257
where:
bonds (distance) C4'-P energy: -19.584
bonds (distance) P-C4' energy: -27.736
flat angles C4'-P-C4' energy: -18.372
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -8.190
Dist. restrs. and SS energy: 5.660 (S_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: 441
Temperature: 0.900000
Total energy: -364.785737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.785737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.928837 (E_RNA)
where:
Base-Base interactions energy: -250.958
where: short stacking energy: -96.119
Base-Backbone interact. energy: -0.238
local terms energy: -113.732529
where:
bonds (distance) C4'-P energy: -24.052
bonds (distance) P-C4' energy: -20.452
flat angles C4'-P-C4' energy: -23.550
flat angles P-C4'-P energy: -16.979
tors. eta vs tors. theta energy: -28.699
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: 2, replica: 2
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -358.102036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.102036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.132740 (E_RNA)
where:
Base-Base interactions energy: -253.144
where: short stacking energy: -89.388
Base-Backbone interact. energy: -1.848
local terms energy: -104.140885
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -18.927
flat angles C4'-P-C4' energy: -24.101
flat angles P-C4'-P energy: -13.915
tors. eta vs tors. theta energy: -27.419
Dist. restrs. and SS energy: 1.031 (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: 441
Temperature: 1.000000
Total energy: -357.402975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.402975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.529663 (E_RNA)
where:
Base-Base interactions energy: -245.508
where: short stacking energy: -97.525
Base-Backbone interact. energy: -0.127
local terms energy: -113.894821
where:
bonds (distance) C4'-P energy: -18.359
bonds (distance) P-C4' energy: -24.144
flat angles C4'-P-C4' energy: -22.169
flat angles P-C4'-P energy: -18.007
tors. eta vs tors. theta energy: -31.216
Dist. restrs. and SS energy: 2.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -339.458411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.458411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.552608 (E_RNA)
where:
Base-Base interactions energy: -238.429
where: short stacking energy: -90.826
Base-Backbone interact. energy: 1.119
local terms energy: -102.241849
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -23.550
flat angles C4'-P-C4' energy: -25.647
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -24.129
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: 6
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -317.665698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.665698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.559168 (E_RNA)
where:
Base-Base interactions energy: -213.632
where: short stacking energy: -83.405
Base-Backbone interact. energy: -0.565
local terms energy: -104.361291
where:
bonds (distance) C4'-P energy: -20.273
bonds (distance) P-C4' energy: -23.429
flat angles C4'-P-C4' energy: -24.893
flat angles P-C4'-P energy: -13.720
tors. eta vs tors. theta energy: -22.046
Dist. restrs. and SS energy: 0.893 (S_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: 441
Temperature: 1.150000
Total energy: -266.111418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.111418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.282061 (E_RNA)
where:
Base-Base interactions energy: -171.356
where: short stacking energy: -75.890
Base-Backbone interact. energy: 1.400
local terms energy: -100.326233
where:
bonds (distance) C4'-P energy: -23.639
bonds (distance) P-C4' energy: -22.572
flat angles C4'-P-C4' energy: -21.489
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -20.034
Dist. restrs. and SS energy: 4.171 (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: 5
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -288.784734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.784734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.389422 (E_RNA)
where:
Base-Base interactions energy: -199.923
where: short stacking energy: -77.879
Base-Backbone interact. energy: -0.131
local terms energy: -90.334713
where:
bonds (distance) C4'-P energy: -20.480
bonds (distance) P-C4' energy: -23.248
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -18.341
Dist. restrs. and SS energy: 1.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -247.895576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.895576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.141822 (E_RNA)
where:
Base-Base interactions energy: -164.426
where: short stacking energy: -60.698
Base-Backbone interact. energy: -0.795
local terms energy: -82.921446
where:
bonds (distance) C4'-P energy: -20.377
bonds (distance) P-C4' energy: -21.666
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -17.097
tors. eta vs tors. theta energy: -11.285
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: 9, replica: 7
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -219.486631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.486631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.791815 (E_RNA)
where:
Base-Base interactions energy: -137.825
where: short stacking energy: -58.258
Base-Backbone interact. energy: -1.268
local terms energy: -84.699366
where:
bonds (distance) C4'-P energy: -21.618
bonds (distance) P-C4' energy: -23.140
flat angles C4'-P-C4' energy: -21.906
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -9.015
Dist. restrs. and SS energy: 4.305 (S_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: 441
Temperature: 1.350000
Total energy: -214.029186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.029186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.535061 (E_RNA)
where:
Base-Base interactions energy: -129.174
where: short stacking energy: -56.475
Base-Backbone interact. energy: -0.298
local terms energy: -87.062675
where:
bonds (distance) C4'-P energy: -19.068
bonds (distance) P-C4' energy: -21.802
flat angles C4'-P-C4' energy: -21.021
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -13.571
Dist. restrs. and SS energy: 2.506 (S_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: 442
Temperature: 0.900000
Total energy: -360.305342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.305342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.066000 (E_RNA)
where:
Base-Base interactions energy: -245.358
where: short stacking energy: -103.718
Base-Backbone interact. energy: -0.238
local terms energy: -116.469465
where:
bonds (distance) C4'-P energy: -22.938
bonds (distance) P-C4' energy: -20.368
flat angles C4'-P-C4' energy: -25.473
flat angles P-C4'-P energy: -18.894
tors. eta vs tors. theta energy: -28.797
Dist. restrs. and SS energy: 1.761 (S_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: 442
Temperature: 0.950000
Total energy: -351.605343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.605343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.252303 (E_RNA)
where:
Base-Base interactions energy: -233.215
where: short stacking energy: -91.518
Base-Backbone interact. energy: -0.895
local terms energy: -118.142707
where:
bonds (distance) C4'-P energy: -21.984
bonds (distance) P-C4' energy: -25.299
flat angles C4'-P-C4' energy: -22.568
flat angles P-C4'-P energy: -21.303
tors. eta vs tors. theta energy: -26.987
Dist. restrs. and SS energy: 0.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -340.666542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.666542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.244979 (E_RNA)
where:
Base-Base interactions energy: -239.702
where: short stacking energy: -93.257
Base-Backbone interact. energy: -0.911
local terms energy: -102.632201
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -25.326
flat angles C4'-P-C4' energy: -20.977
flat angles P-C4'-P energy: -18.063
tors. eta vs tors. theta energy: -20.972
Dist. restrs. and SS energy: 2.578 (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: 8
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -343.810070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.810070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.206939 (E_RNA)
where:
Base-Base interactions energy: -242.105
where: short stacking energy: -95.328
Base-Backbone interact. energy: -1.923
local terms energy: -101.178680
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -17.793
flat angles C4'-P-C4' energy: -23.464
flat angles P-C4'-P energy: -16.034
tors. eta vs tors. theta energy: -26.882
Dist. restrs. and SS energy: 1.397 (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: 6
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -341.261131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.261131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.860475 (E_RNA)
where:
Base-Base interactions energy: -240.079
where: short stacking energy: -96.395
Base-Backbone interact. energy: 0.768
local terms energy: -103.549954
where:
bonds (distance) C4'-P energy: -22.383
bonds (distance) P-C4' energy: -19.497
flat angles C4'-P-C4' energy: -22.120
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -28.546
Dist. restrs. and SS energy: 1.599 (S_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: 442
Temperature: 1.150000
Total energy: -301.956950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.956950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.070855 (E_RNA)
where:
Base-Base interactions energy: -202.711
where: short stacking energy: -74.192
Base-Backbone interact. energy: -2.037
local terms energy: -98.323082
where:
bonds (distance) C4'-P energy: -22.309
bonds (distance) P-C4' energy: -20.740
flat angles C4'-P-C4' energy: -22.254
flat angles P-C4'-P energy: -15.676
tors. eta vs tors. theta energy: -17.344
Dist. restrs. and SS energy: 1.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -282.336925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.336925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.351931 (E_RNA)
where:
Base-Base interactions energy: -179.579
where: short stacking energy: -77.795
Base-Backbone interact. energy: -0.326
local terms energy: -104.447043
where:
bonds (distance) C4'-P energy: -24.241
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -25.313
flat angles P-C4'-P energy: -16.946
tors. eta vs tors. theta energy: -22.278
Dist. restrs. and SS energy: 2.015 (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: 5
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -286.026281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.026281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.586827 (E_RNA)
where:
Base-Base interactions energy: -203.985
where: short stacking energy: -79.209
Base-Backbone interact. energy: -0.445
local terms energy: -83.157061
where:
bonds (distance) C4'-P energy: -18.811
bonds (distance) P-C4' energy: -18.049
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -14.771
tors. eta vs tors. theta energy: -15.658
Dist. restrs. and SS energy: 1.561 (S_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: 442
Temperature: 1.300000
Total energy: -221.960332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.960332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.391929 (E_RNA)
where:
Base-Base interactions energy: -137.359
where: short stacking energy: -58.985
Base-Backbone interact. energy: 1.919
local terms energy: -87.952837
where:
bonds (distance) C4'-P energy: -22.533
bonds (distance) P-C4' energy: -18.280
flat angles C4'-P-C4' energy: -24.488
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -13.994
Dist. restrs. and SS energy: 1.432 (S_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: 442
Temperature: 1.350000
Total energy: -235.069352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.069352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.991420 (E_RNA)
where:
Base-Base interactions energy: -162.699
where: short stacking energy: -54.308
Base-Backbone interact. energy: -0.660
local terms energy: -73.633335
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -22.583
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -11.154
Dist. restrs. and SS energy: 1.922 (S_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: 443
Temperature: 0.900000
Total energy: -374.173760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.173760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.777855 (E_RNA)
where:
Base-Base interactions energy: -266.254
where: short stacking energy: -93.787
Base-Backbone interact. energy: -0.943
local terms energy: -108.580796
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -22.990
flat angles C4'-P-C4' energy: -23.717
flat angles P-C4'-P energy: -19.817
tors. eta vs tors. theta energy: -24.041
Dist. restrs. and SS energy: 1.604 (S_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: 443
Temperature: 0.950000
Total energy: -351.166383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.166383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.056304 (E_RNA)
where:
Base-Base interactions energy: -243.173
where: short stacking energy: -82.221
Base-Backbone interact. energy: -1.007
local terms energy: -107.876174
where:
bonds (distance) C4'-P energy: -23.180
bonds (distance) P-C4' energy: -24.637
flat angles C4'-P-C4' energy: -23.704
flat angles P-C4'-P energy: -14.744
tors. eta vs tors. theta energy: -21.612
Dist. restrs. and SS energy: 0.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -360.701813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.701813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.733259 (E_RNA)
where:
Base-Base interactions energy: -248.685
where: short stacking energy: -101.911
Base-Backbone interact. energy: -0.522
local terms energy: -111.526230
where:
bonds (distance) C4'-P energy: -23.836
bonds (distance) P-C4' energy: -21.367
flat angles C4'-P-C4' energy: -23.782
flat angles P-C4'-P energy: -17.834
tors. eta vs tors. theta energy: -24.707
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: 6
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -349.240315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.240315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.070060 (E_RNA)
where:
Base-Base interactions energy: -240.546
where: short stacking energy: -94.321
Base-Backbone interact. energy: 0.330
local terms energy: -109.854174
where:
bonds (distance) C4'-P energy: -22.753
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -21.507
flat angles P-C4'-P energy: -14.254
tors. eta vs tors. theta energy: -28.516
Dist. restrs. and SS energy: 0.830 (S_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: 443
Temperature: 1.100000
Total energy: -328.492190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.492190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.107981 (E_RNA)
where:
Base-Base interactions energy: -227.580
where: short stacking energy: -83.430
Base-Backbone interact. energy: -2.538
local terms energy: -100.990253
where:
bonds (distance) C4'-P energy: -21.492
bonds (distance) P-C4' energy: -25.353
flat angles C4'-P-C4' energy: -19.484
flat angles P-C4'-P energy: -13.698
tors. eta vs tors. theta energy: -20.962
Dist. restrs. and SS energy: 2.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -279.269768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.269768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.258968 (E_RNA)
where:
Base-Base interactions energy: -185.725
where: short stacking energy: -76.904
Base-Backbone interact. energy: -1.810
local terms energy: -95.724331
where:
bonds (distance) C4'-P energy: -20.501
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -23.667
flat angles P-C4'-P energy: -15.539
tors. eta vs tors. theta energy: -22.456
Dist. restrs. and SS energy: 3.989 (S_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: 443
Temperature: 1.200000
Total energy: -274.723974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.723974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.218494 (E_RNA)
where:
Base-Base interactions energy: -197.349
where: short stacking energy: -94.363
Base-Backbone interact. energy: 0.288
local terms energy: -86.157406
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -20.816
flat angles P-C4'-P energy: -14.574
tors. eta vs tors. theta energy: -21.926
Dist. restrs. and SS energy: 8.495 (S_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: 443
Temperature: 1.250000
Total energy: -247.622652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.622652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.871571 (E_RNA)
where:
Base-Base interactions energy: -179.299
where: short stacking energy: -61.061
Base-Backbone interact. energy: -0.305
local terms energy: -68.267408
where:
bonds (distance) C4'-P energy: -18.233
bonds (distance) P-C4' energy: -21.420
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -3.949
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: 9, replica: 5
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -256.260214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.260214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.912405 (E_RNA)
where:
Base-Base interactions energy: -178.200
where: short stacking energy: -64.964
Base-Backbone interact. energy: -0.651
local terms energy: -78.062175
where:
bonds (distance) C4'-P energy: -19.631
bonds (distance) P-C4' energy: -22.917
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -12.420
Dist. restrs. and SS energy: 0.652 (S_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: 443
Temperature: 1.350000
Total energy: -217.691034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.691034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.348577 (E_RNA)
where:
Base-Base interactions energy: -138.289
where: short stacking energy: -54.388
Base-Backbone interact. energy: -0.149
local terms energy: -81.910939
where:
bonds (distance) C4'-P energy: -23.443
bonds (distance) P-C4' energy: -18.356
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -15.972
tors. eta vs tors. theta energy: -10.386
Dist. restrs. and SS energy: 2.658 (S_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: 444
Temperature: 0.900000
Total energy: -367.638742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.638742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.957040 (E_RNA)
where:
Base-Base interactions energy: -248.391
where: short stacking energy: -103.375
Base-Backbone interact. energy: -0.600
local terms energy: -118.965385
where:
bonds (distance) C4'-P energy: -23.196
bonds (distance) P-C4' energy: -23.434
flat angles C4'-P-C4' energy: -22.658
flat angles P-C4'-P energy: -18.915
tors. eta vs tors. theta energy: -30.762
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: 2, replica: 9
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -337.424646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.424646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.002650 (E_RNA)
where:
Base-Base interactions energy: -232.930
where: short stacking energy: -91.358
Base-Backbone interact. energy: 0.012
local terms energy: -105.084499
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -23.884
flat angles C4'-P-C4' energy: -24.748
flat angles P-C4'-P energy: -16.056
tors. eta vs tors. theta energy: -26.740
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: 3, replica: 1
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -335.846427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.846427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.998498 (E_RNA)
where:
Base-Base interactions energy: -232.857
where: short stacking energy: -97.852
Base-Backbone interact. energy: -1.486
local terms energy: -101.655936
where:
bonds (distance) C4'-P energy: -20.650
bonds (distance) P-C4' energy: -18.985
flat angles C4'-P-C4' energy: -18.740
flat angles P-C4'-P energy: -15.402
tors. eta vs tors. theta energy: -27.880
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: 4, replica: 6
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -319.056838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.056838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.732003 (E_RNA)
where:
Base-Base interactions energy: -221.937
where: short stacking energy: -78.124
Base-Backbone interact. energy: -0.714
local terms energy: -97.080727
where:
bonds (distance) C4'-P energy: -22.338
bonds (distance) P-C4' energy: -18.085
flat angles C4'-P-C4' energy: -20.232
flat angles P-C4'-P energy: -15.668
tors. eta vs tors. theta energy: -20.758
Dist. restrs. and SS energy: 0.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -289.687501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.687501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.617133 (E_RNA)
where:
Base-Base interactions energy: -194.458
where: short stacking energy: -80.761
Base-Backbone interact. energy: -0.320
local terms energy: -97.838697
where:
bonds (distance) C4'-P energy: -18.597
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -25.570
flat angles P-C4'-P energy: -17.350
tors. eta vs tors. theta energy: -21.408
Dist. restrs. and SS energy: 2.930 (S_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: 444
Temperature: 1.150000
Total energy: -314.908752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.908752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.013441 (E_RNA)
where:
Base-Base interactions energy: -219.414
where: short stacking energy: -79.758
Base-Backbone interact. energy: -0.674
local terms energy: -94.926241
where:
bonds (distance) C4'-P energy: -20.094
bonds (distance) P-C4' energy: -20.521
flat angles C4'-P-C4' energy: -23.656
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -20.964
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: 7, replica: 3
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -271.075953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.075953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.803894 (E_RNA)
where:
Base-Base interactions energy: -187.054
where: short stacking energy: -76.529
Base-Backbone interact. energy: -0.753
local terms energy: -84.996767
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -20.284
flat angles C4'-P-C4' energy: -19.361
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -20.063
Dist. restrs. and SS energy: 1.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -221.880809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.880809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.371583 (E_RNA)
where:
Base-Base interactions energy: -148.646
where: short stacking energy: -64.719
Base-Backbone interact. energy: -0.253
local terms energy: -76.473129
where:
bonds (distance) C4'-P energy: -18.756
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -14.493
Dist. restrs. and SS energy: 3.491 (S_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: 444
Temperature: 1.300000
Total energy: -253.916905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.916905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.367737 (E_RNA)
where:
Base-Base interactions energy: -171.884
where: short stacking energy: -63.413
Base-Backbone interact. energy: 0.385
local terms energy: -82.867981
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -18.149
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: -17.854
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: 10, replica: 7
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -241.739634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.739634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.842725 (E_RNA)
where:
Base-Base interactions energy: -157.701
where: short stacking energy: -59.228
Base-Backbone interact. energy: -0.172
local terms energy: -85.969081
where:
bonds (distance) C4'-P energy: -21.562
bonds (distance) P-C4' energy: -18.940
flat angles C4'-P-C4' energy: -19.695
flat angles P-C4'-P energy: -14.309
tors. eta vs tors. theta energy: -11.462
Dist. restrs. and SS energy: 2.103 (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: 2
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -366.047784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.047784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.695396 (E_RNA)
where:
Base-Base interactions energy: -258.889
where: short stacking energy: -102.927
Base-Backbone interact. energy: -0.196
local terms energy: -107.609676
where:
bonds (distance) C4'-P energy: -19.200
bonds (distance) P-C4' energy: -22.701
flat angles C4'-P-C4' energy: -20.486
flat angles P-C4'-P energy: -18.586
tors. eta vs tors. theta energy: -26.637
Dist. restrs. and SS energy: 0.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -338.709529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.709529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.822784 (E_RNA)
where:
Base-Base interactions energy: -225.778
where: short stacking energy: -96.074
Base-Backbone interact. energy: -0.679
local terms energy: -112.365920
where:
bonds (distance) C4'-P energy: -21.282
bonds (distance) P-C4' energy: -23.267
flat angles C4'-P-C4' energy: -23.924
flat angles P-C4'-P energy: -19.871
tors. eta vs tors. theta energy: -24.022
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: 3, replica: 9
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -356.802777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.802777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.015729 (E_RNA)
where:
Base-Base interactions energy: -249.241
where: short stacking energy: -97.025
Base-Backbone interact. energy: -0.940
local terms energy: -107.834238
where:
bonds (distance) C4'-P energy: -23.634
bonds (distance) P-C4' energy: -17.712
flat angles C4'-P-C4' energy: -25.032
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -29.137
Dist. restrs. and SS energy: 1.213 (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: 4
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -293.572807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.572807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.885770 (E_RNA)
where:
Base-Base interactions energy: -200.167
where: short stacking energy: -84.192
Base-Backbone interact. energy: -0.236
local terms energy: -94.482691
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -25.280
flat angles P-C4'-P energy: -14.298
tors. eta vs tors. theta energy: -23.083
Dist. restrs. and SS energy: 1.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -320.110395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.110395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.413692 (E_RNA)
where:
Base-Base interactions energy: -225.033
where: short stacking energy: -82.034
Base-Backbone interact. energy: -0.484
local terms energy: -94.896483
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -19.559
flat angles C4'-P-C4' energy: -22.035
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -23.889
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: 6, replica: 8
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -307.262241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.262241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.274387 (E_RNA)
where:
Base-Base interactions energy: -217.652
where: short stacking energy: -78.905
Base-Backbone interact. energy: -1.156
local terms energy: -88.466207
where:
bonds (distance) C4'-P energy: -23.129
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -22.480
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -18.740
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: 3
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -280.002154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.002154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.935631 (E_RNA)
where:
Base-Base interactions energy: -185.265
where: short stacking energy: -73.462
Base-Backbone interact. energy: 0.366
local terms energy: -97.036682
where:
bonds (distance) C4'-P energy: -21.840
bonds (distance) P-C4' energy: -23.860
flat angles C4'-P-C4' energy: -22.582
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -19.607
Dist. restrs. and SS energy: 1.933 (S_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: 445
Temperature: 1.250000
Total energy: -232.742393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.742393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.818474 (E_RNA)
where:
Base-Base interactions energy: -159.552
where: short stacking energy: -57.767
Base-Backbone interact. energy: -0.239
local terms energy: -73.027475
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -19.363
flat angles C4'-P-C4' energy: -23.984
flat angles P-C4'-P energy: -3.387
tors. eta vs tors. theta energy: -9.572
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: 10
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -253.809357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.809357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.193755 (E_RNA)
where:
Base-Base interactions energy: -170.071
where: short stacking energy: -72.791
Base-Backbone interact. energy: -0.126
local terms energy: -88.996707
where:
bonds (distance) C4'-P energy: -19.696
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -21.665
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -17.491
Dist. restrs. and SS energy: 5.384 (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: 7
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -216.835324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.835324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.103825 (E_RNA)
where:
Base-Base interactions energy: -137.214
where: short stacking energy: -55.880
Base-Backbone interact. energy: -0.347
local terms energy: -91.542814
where:
bonds (distance) C4'-P energy: -23.429
bonds (distance) P-C4' energy: -22.461
flat angles C4'-P-C4' energy: -23.028
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -9.633
Dist. restrs. and SS energy: 12.269 (S_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: 446
Temperature: 0.900000
Total energy: -363.431660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.431660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.849647 (E_RNA)
where:
Base-Base interactions energy: -263.420
where: short stacking energy: -100.762
Base-Backbone interact. energy: -0.503
local terms energy: -99.927175
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -19.966
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -16.047
tors. eta vs tors. theta energy: -28.130
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: 2, replica: 1
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -348.100161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.100161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.401553 (E_RNA)
where:
Base-Base interactions energy: -233.498
where: short stacking energy: -91.542
Base-Backbone interact. energy: -0.274
local terms energy: -114.629355
where:
bonds (distance) C4'-P energy: -24.176
bonds (distance) P-C4' energy: -21.906
flat angles C4'-P-C4' energy: -24.305
flat angles P-C4'-P energy: -18.702
tors. eta vs tors. theta energy: -25.540
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: 9
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -358.572859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.572859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.499238 (E_RNA)
where:
Base-Base interactions energy: -251.234
where: short stacking energy: -95.605
Base-Backbone interact. energy: -0.084
local terms energy: -108.180959
where:
bonds (distance) C4'-P energy: -17.619
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -25.994
flat angles P-C4'-P energy: -19.933
tors. eta vs tors. theta energy: -26.408
Dist. restrs. and SS energy: 0.926 (S_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: 446
Temperature: 1.050000
Total energy: -326.033572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.033572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.915647 (E_RNA)
where:
Base-Base interactions energy: -224.398
where: short stacking energy: -96.737
Base-Backbone interact. energy: 0.403
local terms energy: -103.920684
where:
bonds (distance) C4'-P energy: -22.463
bonds (distance) P-C4' energy: -18.057
flat angles C4'-P-C4' energy: -20.462
flat angles P-C4'-P energy: -14.961
tors. eta vs tors. theta energy: -27.977
Dist. restrs. and SS energy: 1.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -339.401011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.401011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.064570 (E_RNA)
where:
Base-Base interactions energy: -232.474
where: short stacking energy: -92.574
Base-Backbone interact. energy: -0.369
local terms energy: -108.221531
where:
bonds (distance) C4'-P energy: -25.295
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -22.947
flat angles P-C4'-P energy: -16.626
tors. eta vs tors. theta energy: -26.134
Dist. restrs. and SS energy: 1.664 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -303.298109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.298109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.255009 (E_RNA)
where:
Base-Base interactions energy: -211.223
where: short stacking energy: -95.361
Base-Backbone interact. energy: -2.079
local terms energy: -90.952904
where:
bonds (distance) C4'-P energy: -18.989
bonds (distance) P-C4' energy: -13.468
flat angles C4'-P-C4' energy: -19.498
flat angles P-C4'-P energy: -17.962
tors. eta vs tors. theta energy: -21.036
Dist. restrs. and SS energy: 0.957 (S_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: 446
Temperature: 1.200000
Total energy: -277.912696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.912696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.268530 (E_RNA)
where:
Base-Base interactions energy: -186.699
where: short stacking energy: -74.515
Base-Backbone interact. energy: -0.686
local terms energy: -91.883568
where:
bonds (distance) C4'-P energy: -17.880
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -24.927
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -18.038
Dist. restrs. and SS energy: 1.356 (S_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: 446
Temperature: 1.250000
Total energy: -247.304228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.304228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.542333 (E_RNA)
where:
Base-Base interactions energy: -165.339
where: short stacking energy: -83.511
Base-Backbone interact. energy: -0.348
local terms energy: -84.855441
where:
bonds (distance) C4'-P energy: -21.778
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -21.419
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -15.221
Dist. restrs. and SS energy: 3.238 (S_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: -241.215066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.215066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.993447 (E_RNA)
where:
Base-Base interactions energy: -163.663
where: short stacking energy: -65.156
Base-Backbone interact. energy: -0.701
local terms energy: -79.628992
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -19.388
flat angles C4'-P-C4' energy: -23.640
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -11.470
Dist. restrs. and SS energy: 2.778 (S_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: 446
Temperature: 1.350000
Total energy: -213.367500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.367500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.947783 (E_RNA)
where:
Base-Base interactions energy: -127.888
where: short stacking energy: -62.442
Base-Backbone interact. energy: -0.294
local terms energy: -91.765280
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -25.974
flat angles C4'-P-C4' energy: -22.004
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -17.966
Dist. restrs. and SS energy: 6.580 (S_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: 447
Temperature: 0.900000
Total energy: -372.815563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.815563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.976968 (E_RNA)
where:
Base-Base interactions energy: -258.968
where: short stacking energy: -97.569
Base-Backbone interact. energy: 0.847
local terms energy: -115.855392
where:
bonds (distance) C4'-P energy: -23.179
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -25.632
flat angles P-C4'-P energy: -13.693
tors. eta vs tors. theta energy: -26.511
Dist. restrs. and SS energy: 1.161 (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: 9
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -372.516634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.516634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.595422 (E_RNA)
where:
Base-Base interactions energy: -256.764
where: short stacking energy: -94.459
Base-Backbone interact. energy: -1.014
local terms energy: -115.817071
where:
bonds (distance) C4'-P energy: -22.435
bonds (distance) P-C4' energy: -21.526
flat angles C4'-P-C4' energy: -23.699
flat angles P-C4'-P energy: -18.162
tors. eta vs tors. theta energy: -29.995
Dist. restrs. and SS energy: 1.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -341.519093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.519093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.750879 (E_RNA)
where:
Base-Base interactions energy: -239.814
where: short stacking energy: -100.065
Base-Backbone interact. energy: -0.683
local terms energy: -102.253391
where:
bonds (distance) C4'-P energy: -18.200
bonds (distance) P-C4' energy: -22.294
flat angles C4'-P-C4' energy: -20.851
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -29.892
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: 4, replica: 6
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -350.349629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.349629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.707880 (E_RNA)
where:
Base-Base interactions energy: -248.869
where: short stacking energy: -100.253
Base-Backbone interact. energy: -0.232
local terms energy: -103.606397
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -21.553
flat angles C4'-P-C4' energy: -25.600
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: -28.335
Dist. restrs. and SS energy: 2.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -316.610188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.610188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.406201 (E_RNA)
where:
Base-Base interactions energy: -207.448
where: short stacking energy: -89.181
Base-Backbone interact. energy: -0.264
local terms energy: -109.694140
where:
bonds (distance) C4'-P energy: -25.265
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -22.231
flat angles P-C4'-P energy: -16.670
tors. eta vs tors. theta energy: -25.765
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: 6, replica: 3
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -286.968288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.968288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.089611 (E_RNA)
where:
Base-Base interactions energy: -208.019
where: short stacking energy: -77.093
Base-Backbone interact. energy: -0.270
local terms energy: -78.800477
where:
bonds (distance) C4'-P energy: -19.528
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -15.259
tors. eta vs tors. theta energy: -14.427
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: 8
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -308.918885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.918885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.466088 (E_RNA)
where:
Base-Base interactions energy: -206.490
where: short stacking energy: -80.860
Base-Backbone interact. energy: 2.416
local terms energy: -105.392291
where:
bonds (distance) C4'-P energy: -25.187
bonds (distance) P-C4' energy: -18.949
flat angles C4'-P-C4' energy: -26.484
flat angles P-C4'-P energy: -15.789
tors. eta vs tors. theta energy: -18.984
Dist. restrs. and SS energy: 0.547 (S_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: -228.349949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.349949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.559640 (E_RNA)
where:
Base-Base interactions energy: -140.561
where: short stacking energy: -66.749
Base-Backbone interact. energy: -0.443
local terms energy: -90.555389
where:
bonds (distance) C4'-P energy: -19.958
bonds (distance) P-C4' energy: -20.014
flat angles C4'-P-C4' energy: -21.650
flat angles P-C4'-P energy: -17.660
tors. eta vs tors. theta energy: -11.273
Dist. restrs. and SS energy: 3.210 (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: 5
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -241.880618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.880618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.823103 (E_RNA)
where:
Base-Base interactions energy: -159.798
where: short stacking energy: -60.387
Base-Backbone interact. energy: -0.961
local terms energy: -84.064533
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -21.212
flat angles P-C4'-P energy: -15.239
tors. eta vs tors. theta energy: -19.097
Dist. restrs. and SS energy: 2.942 (S_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: 447
Temperature: 1.350000
Total energy: -222.170875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.170875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.261649 (E_RNA)
where:
Base-Base interactions energy: -156.682
where: short stacking energy: -62.572
Base-Backbone interact. energy: -0.779
local terms energy: -65.800423
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -18.952
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -6.455
Dist. restrs. and SS energy: 1.091 (S_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: 448
Temperature: 0.900000
Total energy: -372.080793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.080793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.022367 (E_RNA)
where:
Base-Base interactions energy: -252.653
where: short stacking energy: -102.567
Base-Backbone interact. energy: -0.596
local terms energy: -119.773102
where:
bonds (distance) C4'-P energy: -25.789
bonds (distance) P-C4' energy: -25.463
flat angles C4'-P-C4' energy: -22.102
flat angles P-C4'-P energy: -17.188
tors. eta vs tors. theta energy: -29.231
Dist. restrs. and SS energy: 0.942 (S_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: 448
Temperature: 0.950000
Total energy: -360.020840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.020840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.023317 (E_RNA)
where:
Base-Base interactions energy: -263.629
where: short stacking energy: -90.441
Base-Backbone interact. energy: -0.459
local terms energy: -96.935211
where:
bonds (distance) C4'-P energy: -20.394
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -23.102
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -26.630
Dist. restrs. and SS energy: 1.002 (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: 6
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -356.925050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.925050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.538412 (E_RNA)
where:
Base-Base interactions energy: -239.034
where: short stacking energy: -97.446
Base-Backbone interact. energy: 0.021
local terms energy: -119.525157
where:
bonds (distance) C4'-P energy: -23.999
bonds (distance) P-C4' energy: -27.023
flat angles C4'-P-C4' energy: -21.159
flat angles P-C4'-P energy: -16.829
tors. eta vs tors. theta energy: -30.515
Dist. restrs. and SS energy: 1.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -326.267683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.267683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.411504 (E_RNA)
where:
Base-Base interactions energy: -231.349
where: short stacking energy: -96.784
Base-Backbone interact. energy: -0.373
local terms energy: -95.690237
where:
bonds (distance) C4'-P energy: -18.343
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -21.523
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -27.140
Dist. restrs. and SS energy: 1.144 (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: 3
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -290.145720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.145720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.875368 (E_RNA)
where:
Base-Base interactions energy: -181.831
where: short stacking energy: -85.675
Base-Backbone interact. energy: -0.079
local terms energy: -108.965405
where:
bonds (distance) C4'-P energy: -21.440
bonds (distance) P-C4' energy: -21.119
flat angles C4'-P-C4' energy: -20.201
flat angles P-C4'-P energy: -19.915
tors. eta vs tors. theta energy: -26.291
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: 6, replica: 4
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -308.656290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.656290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.448359 (E_RNA)
where:
Base-Base interactions energy: -213.916
where: short stacking energy: -82.885
Base-Backbone interact. energy: -2.243
local terms energy: -94.289381
where:
bonds (distance) C4'-P energy: -19.367
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -23.269
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -23.136
Dist. restrs. and SS energy: 1.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -318.080864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.080864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.312139 (E_RNA)
where:
Base-Base interactions energy: -212.229
where: short stacking energy: -82.155
Base-Backbone interact. energy: -0.370
local terms energy: -105.713789
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -21.505
flat angles C4'-P-C4' energy: -22.267
flat angles P-C4'-P energy: -16.870
tors. eta vs tors. theta energy: -26.664
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: 8, replica: 10
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -234.072049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.072049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.389311 (E_RNA)
where:
Base-Base interactions energy: -151.160
where: short stacking energy: -74.579
Base-Backbone interact. energy: -0.325
local terms energy: -83.904313
where:
bonds (distance) C4'-P energy: -21.014
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -16.171
Dist. restrs. and SS energy: 1.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -262.569738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.569738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.951166 (E_RNA)
where:
Base-Base interactions energy: -182.093
where: short stacking energy: -79.182
Base-Backbone interact. energy: 2.297
local terms energy: -85.155668
where:
bonds (distance) C4'-P energy: -9.434
bonds (distance) P-C4' energy: -22.300
flat angles C4'-P-C4' energy: -20.188
flat angles P-C4'-P energy: -17.688
tors. eta vs tors. theta energy: -15.546
Dist. restrs. and SS energy: 2.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -212.060380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.060380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.497521 (E_RNA)
where:
Base-Base interactions energy: -153.036
where: short stacking energy: -61.013
Base-Backbone interact. energy: 0.181
local terms energy: -62.642570
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -17.969
flat angles C4'-P-C4' energy: -17.465
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -6.960
Dist. restrs. and SS energy: 3.437 (S_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: 449
Temperature: 0.900000
Total energy: -362.339279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.339279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.276691 (E_RNA)
where:
Base-Base interactions energy: -255.000
where: short stacking energy: -96.948
Base-Backbone interact. energy: -0.364
local terms energy: -107.913482
where:
bonds (distance) C4'-P energy: -23.348
bonds (distance) P-C4' energy: -21.477
flat angles C4'-P-C4' energy: -20.388
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: -28.553
Dist. restrs. and SS energy: 0.937 (S_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: 449
Temperature: 0.950000
Total energy: -364.106898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.106898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.401049 (E_RNA)
where:
Base-Base interactions energy: -257.178
where: short stacking energy: -100.264
Base-Backbone interact. energy: -2.098
local terms energy: -106.124301
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -19.224
flat angles C4'-P-C4' energy: -22.429
flat angles P-C4'-P energy: -16.997
tors. eta vs tors. theta energy: -32.700
Dist. restrs. and SS energy: 1.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -337.605271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.605271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.374114 (E_RNA)
where:
Base-Base interactions energy: -246.188
where: short stacking energy: -85.180
Base-Backbone interact. energy: 0.538
local terms energy: -93.724170
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -25.132
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -15.489
tors. eta vs tors. theta energy: -19.020
Dist. restrs. and SS energy: 1.769 (S_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: 449
Temperature: 1.050000
Total energy: -307.796933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.796933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.049683 (E_RNA)
where:
Base-Base interactions energy: -209.316
where: short stacking energy: -84.007
Base-Backbone interact. energy: 0.336
local terms energy: -99.069644
where:
bonds (distance) C4'-P energy: -24.368
bonds (distance) P-C4' energy: -25.147
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -21.149
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: 1
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -335.962985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.962985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.851180 (E_RNA)
where:
Base-Base interactions energy: -233.060
where: short stacking energy: -85.815
Base-Backbone interact. energy: -1.715
local terms energy: -102.076466
where:
bonds (distance) C4'-P energy: -17.653
bonds (distance) P-C4' energy: -21.924
flat angles C4'-P-C4' energy: -19.634
flat angles P-C4'-P energy: -15.778
tors. eta vs tors. theta energy: -27.088
Dist. restrs. and SS energy: 0.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -277.098753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.098753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.446649 (E_RNA)
where:
Base-Base interactions energy: -189.776
where: short stacking energy: -77.522
Base-Backbone interact. energy: -1.520
local terms energy: -86.150775
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: -19.630
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: 4
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -287.006059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.006059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.126007 (E_RNA)
where:
Base-Base interactions energy: -198.830
where: short stacking energy: -79.558
Base-Backbone interact. energy: 1.582
local terms energy: -89.877752
where:
bonds (distance) C4'-P energy: -19.339
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -24.027
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -16.643
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: 8, replica: 7
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -231.541287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.541287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.877304 (E_RNA)
where:
Base-Base interactions energy: -155.029
where: short stacking energy: -63.874
Base-Backbone interact. energy: 0.009
local terms energy: -78.857124
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -20.970
flat angles P-C4'-P energy: -6.589
tors. eta vs tors. theta energy: -14.309
Dist. restrs. and SS energy: 2.336 (S_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: 449
Temperature: 1.300000
Total energy: -248.086786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.086786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.512914 (E_RNA)
where:
Base-Base interactions energy: -164.890
where: short stacking energy: -76.929
Base-Backbone interact. energy: -0.131
local terms energy: -90.492320
where:
bonds (distance) C4'-P energy: -20.073
bonds (distance) P-C4' energy: -19.808
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -14.704
tors. eta vs tors. theta energy: -20.871
Dist. restrs. and SS energy: 7.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -229.327530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.327530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.810212 (E_RNA)
where:
Base-Base interactions energy: -144.257
where: short stacking energy: -61.472
Base-Backbone interact. energy: -0.927
local terms energy: -84.625458
where:
bonds (distance) C4'-P energy: -20.730
bonds (distance) P-C4' energy: -21.874
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -15.386
tors. eta vs tors. theta energy: -14.680
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: 1, replica: 6
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -373.178094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.178094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.871426 (E_RNA)
where:
Base-Base interactions energy: -262.474
where: short stacking energy: -97.761
Base-Backbone interact. energy: -2.368
local terms energy: -110.029731
where:
bonds (distance) C4'-P energy: -21.378
bonds (distance) P-C4' energy: -19.142
flat angles C4'-P-C4' energy: -21.181
flat angles P-C4'-P energy: -15.401
tors. eta vs tors. theta energy: -32.928
Dist. restrs. and SS energy: 1.693 (S_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: 450
Temperature: 0.950000
Total energy: -357.415918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.415918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.979292 (E_RNA)
where:
Base-Base interactions energy: -248.764
where: short stacking energy: -97.067
Base-Backbone interact. energy: 1.528
local terms energy: -111.742642
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -18.252
flat angles C4'-P-C4' energy: -24.584
flat angles P-C4'-P energy: -20.711
tors. eta vs tors. theta energy: -30.187
Dist. restrs. and SS energy: 1.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -330.183505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.183505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.811631 (E_RNA)
where:
Base-Base interactions energy: -230.875
where: short stacking energy: -84.277
Base-Backbone interact. energy: -0.235
local terms energy: -100.701819
where:
bonds (distance) C4'-P energy: -24.665
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -23.674
flat angles P-C4'-P energy: -14.177
tors. eta vs tors. theta energy: -24.106
Dist. restrs. and SS energy: 1.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -325.349827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.349827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.767730 (E_RNA)
where:
Base-Base interactions energy: -225.105
where: short stacking energy: -79.331
Base-Backbone interact. energy: -0.449
local terms energy: -100.213980
where:
bonds (distance) C4'-P energy: -23.829
bonds (distance) P-C4' energy: -21.059
flat angles C4'-P-C4' energy: -21.601
flat angles P-C4'-P energy: -18.804
tors. eta vs tors. theta energy: -14.921
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: 5, replica: 8
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -305.832029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.832029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.885708 (E_RNA)
where:
Base-Base interactions energy: -219.434
where: short stacking energy: -77.216
Base-Backbone interact. energy: -0.401
local terms energy: -86.050177
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -18.544
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: -18.693
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: 1
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -324.077302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.077302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.639852 (E_RNA)
where:
Base-Base interactions energy: -236.015
where: short stacking energy: -92.426
Base-Backbone interact. energy: -0.857
local terms energy: -88.767938
where:
bonds (distance) C4'-P energy: -20.350
bonds (distance) P-C4' energy: -18.603
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -24.249
Dist. restrs. and SS energy: 1.563 (S_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: 450
Temperature: 1.200000
Total energy: -277.225554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.225554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.592434 (E_RNA)
where:
Base-Base interactions energy: -196.230
where: short stacking energy: -82.513
Base-Backbone interact. energy: -0.873
local terms energy: -82.489199
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -21.581
Dist. restrs. and SS energy: 2.367 (S_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: 450
Temperature: 1.250000
Total energy: -259.084529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.084529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.547846 (E_RNA)
where:
Base-Base interactions energy: -170.798
where: short stacking energy: -76.795
Base-Backbone interact. energy: -1.001
local terms energy: -89.748458
where:
bonds (distance) C4'-P energy: -21.259
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -22.296
flat angles P-C4'-P energy: -7.668
tors. eta vs tors. theta energy: -23.696
Dist. restrs. and SS energy: 2.463 (S_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: 450
Temperature: 1.300000
Total energy: -236.001636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.001636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.430197 (E_RNA)
where:
Base-Base interactions energy: -143.674
where: short stacking energy: -60.047
Base-Backbone interact. energy: -0.175
local terms energy: -95.580580
where:
bonds (distance) C4'-P energy: -20.516
bonds (distance) P-C4' energy: -21.237
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -18.884
tors. eta vs tors. theta energy: -16.627
Dist. restrs. and SS energy: 3.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -260.976006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.976006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.639419 (E_RNA)
where:
Base-Base interactions energy: -176.861
where: short stacking energy: -77.848
Base-Backbone interact. energy: -0.046
local terms energy: -85.732034
where:
bonds (distance) C4'-P energy: -20.271
bonds (distance) P-C4' energy: -21.069
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -17.512
Dist. restrs. and SS energy: 1.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -372.404208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.404208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.341079 (E_RNA)
where:
Base-Base interactions energy: -257.327
where: short stacking energy: -96.647
Base-Backbone interact. energy: -0.517
local terms energy: -115.497140
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -26.977
flat angles C4'-P-C4' energy: -24.125
flat angles P-C4'-P energy: -18.906
tors. eta vs tors. theta energy: -31.410
Dist. restrs. and SS energy: 0.937 (S_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: 451
Temperature: 0.950000
Total energy: -369.853909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.853909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.936159 (E_RNA)
where:
Base-Base interactions energy: -256.702
where: short stacking energy: -98.490
Base-Backbone interact. energy: -0.280
local terms energy: -113.954905
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -26.371
flat angles C4'-P-C4' energy: -20.655
flat angles P-C4'-P energy: -18.511
tors. eta vs tors. theta energy: -28.638
Dist. restrs. and SS energy: 1.082 (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: 3
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -329.829644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.829644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.654484 (E_RNA)
where:
Base-Base interactions energy: -227.203
where: short stacking energy: -94.271
Base-Backbone interact. energy: 0.732
local terms energy: -104.182663
where:
bonds (distance) C4'-P energy: -24.876
bonds (distance) P-C4' energy: -18.950
flat angles C4'-P-C4' energy: -21.506
flat angles P-C4'-P energy: -16.676
tors. eta vs tors. theta energy: -22.175
Dist. restrs. and SS energy: 0.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -343.402415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.402415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.518324 (E_RNA)
where:
Base-Base interactions energy: -239.674
where: short stacking energy: -91.388
Base-Backbone interact. energy: -1.503
local terms energy: -103.341288
where:
bonds (distance) C4'-P energy: -19.509
bonds (distance) P-C4' energy: -20.774
flat angles C4'-P-C4' energy: -22.586
flat angles P-C4'-P energy: -14.832
tors. eta vs tors. theta energy: -25.640
Dist. restrs. and SS energy: 1.116 (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: 8
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -316.369520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.369520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.424011 (E_RNA)
where:
Base-Base interactions energy: -228.267
where: short stacking energy: -86.432
Base-Backbone interact. energy: -1.419
local terms energy: -86.738472
where:
bonds (distance) C4'-P energy: -19.373
bonds (distance) P-C4' energy: -16.021
flat angles C4'-P-C4' energy: -19.322
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -20.314
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: 1
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -325.791936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.791936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.742552 (E_RNA)
where:
Base-Base interactions energy: -229.330
where: short stacking energy: -86.962
Base-Backbone interact. energy: -1.323
local terms energy: -96.090111
where:
bonds (distance) C4'-P energy: -20.069
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -18.198
flat angles P-C4'-P energy: -18.238
tors. eta vs tors. theta energy: -22.154
Dist. restrs. and SS energy: 0.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -287.182449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.182449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.341521 (E_RNA)
where:
Base-Base interactions energy: -184.911
where: short stacking energy: -75.805
Base-Backbone interact. energy: -0.670
local terms energy: -103.760595
where:
bonds (distance) C4'-P energy: -21.266
bonds (distance) P-C4' energy: -26.191
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -15.354
tors. eta vs tors. theta energy: -23.508
Dist. restrs. and SS energy: 2.159 (S_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: -280.268405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.268405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.343551 (E_RNA)
where:
Base-Base interactions energy: -179.127
where: short stacking energy: -73.009
Base-Backbone interact. energy: -0.870
local terms energy: -100.346055
where:
bonds (distance) C4'-P energy: -17.896
bonds (distance) P-C4' energy: -22.407
flat angles C4'-P-C4' energy: -23.947
flat angles P-C4'-P energy: -16.015
tors. eta vs tors. theta energy: -20.081
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: 9, replica: 10
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -272.801801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.801801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.524692 (E_RNA)
where:
Base-Base interactions energy: -192.572
where: short stacking energy: -85.089
Base-Backbone interact. energy: -0.369
local terms energy: -81.584013
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -23.210
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -13.932
tors. eta vs tors. theta energy: -16.190
Dist. restrs. and SS energy: 1.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -225.814290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.814290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.768597 (E_RNA)
where:
Base-Base interactions energy: -145.962
where: short stacking energy: -61.030
Base-Backbone interact. energy: -0.104
local terms energy: -80.702302
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -23.610
flat angles C4'-P-C4' energy: -22.488
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -7.779
Dist. restrs. and SS energy: 0.954 (S_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: 452
Temperature: 0.900000
Total energy: -365.841499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.841499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.960737 (E_RNA)
where:
Base-Base interactions energy: -255.998
where: short stacking energy: -91.935
Base-Backbone interact. energy: -1.358
local terms energy: -109.604595
where:
bonds (distance) C4'-P energy: -19.667
bonds (distance) P-C4' energy: -21.462
flat angles C4'-P-C4' energy: -24.079
flat angles P-C4'-P energy: -14.957
tors. eta vs tors. theta energy: -29.440
Dist. restrs. and SS energy: 1.119 (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: 6
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -368.337750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.337750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.537151 (E_RNA)
where:
Base-Base interactions energy: -258.724
where: short stacking energy: -102.271
Base-Backbone interact. energy: -0.861
local terms energy: -108.952000
where:
bonds (distance) C4'-P energy: -18.198
bonds (distance) P-C4' energy: -25.079
flat angles C4'-P-C4' energy: -23.624
flat angles P-C4'-P energy: -14.398
tors. eta vs tors. theta energy: -27.653
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: 3, replica: 2
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -352.014903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.014903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.274221 (E_RNA)
where:
Base-Base interactions energy: -237.969
where: short stacking energy: -98.177
Base-Backbone interact. energy: -1.024
local terms energy: -114.280825
where:
bonds (distance) C4'-P energy: -20.351
bonds (distance) P-C4' energy: -22.708
flat angles C4'-P-C4' energy: -23.382
flat angles P-C4'-P energy: -19.116
tors. eta vs tors. theta energy: -28.724
Dist. restrs. and SS energy: 1.259 (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: 3
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -329.847171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.847171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.279385 (E_RNA)
where:
Base-Base interactions energy: -233.247
where: short stacking energy: -98.576
Base-Backbone interact. energy: -0.704
local terms energy: -96.327908
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -18.983
flat angles C4'-P-C4' energy: -20.211
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -29.045
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: 5, replica: 1
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -335.446190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.446190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.100876 (E_RNA)
where:
Base-Base interactions energy: -232.081
where: short stacking energy: -96.914
Base-Backbone interact. energy: -0.368
local terms energy: -104.651746
where:
bonds (distance) C4'-P energy: -20.829
bonds (distance) P-C4' energy: -25.311
flat angles C4'-P-C4' energy: -21.635
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -24.809
Dist. restrs. and SS energy: 1.655 (S_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: -290.809226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.809226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.113190 (E_RNA)
where:
Base-Base interactions energy: -213.116
where: short stacking energy: -87.426
Base-Backbone interact. energy: -1.192
local terms energy: -76.805233
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -19.027
flat angles P-C4'-P energy: -6.469
tors. eta vs tors. theta energy: -17.847
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: 452
Temperature: 1.200000
Total energy: -273.213245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.213245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.454081 (E_RNA)
where:
Base-Base interactions energy: -193.281
where: short stacking energy: -77.068
Base-Backbone interact. energy: -0.339
local terms energy: -79.833406
where:
bonds (distance) C4'-P energy: -20.969
bonds (distance) P-C4' energy: -17.779
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -16.544
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: 8, replica: 4
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -251.833059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.833059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.755962 (E_RNA)
where:
Base-Base interactions energy: -171.034
where: short stacking energy: -62.681
Base-Backbone interact. energy: -0.358
local terms energy: -81.363788
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -20.787
flat angles P-C4'-P energy: -15.636
tors. eta vs tors. theta energy: -11.863
Dist. restrs. and SS energy: 0.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -227.989329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.989329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.288952 (E_RNA)
where:
Base-Base interactions energy: -154.049
where: short stacking energy: -61.653
Base-Backbone interact. energy: -0.272
local terms energy: -73.968088
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -23.832
flat angles P-C4'-P energy: -6.162
tors. eta vs tors. theta energy: -11.780
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: 10, replica: 5
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -247.558234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.558234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.077211 (E_RNA)
where:
Base-Base interactions energy: -182.956
where: short stacking energy: -72.874
Base-Backbone interact. energy: 6.143
local terms energy: -71.263857
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -22.537
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -13.793
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: 1, replica: 9
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -363.597549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.597549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.768657 (E_RNA)
where:
Base-Base interactions energy: -254.749
where: short stacking energy: -98.713
Base-Backbone interact. energy: -2.422
local terms energy: -107.598106
where:
bonds (distance) C4'-P energy: -20.039
bonds (distance) P-C4' energy: -24.170
flat angles C4'-P-C4' energy: -22.923
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -27.410
Dist. restrs. and SS energy: 1.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -357.670028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.670028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.495829 (E_RNA)
where:
Base-Base interactions energy: -250.202
where: short stacking energy: -101.284
Base-Backbone interact. energy: -1.931
local terms energy: -106.362467
where:
bonds (distance) C4'-P energy: -18.384
bonds (distance) P-C4' energy: -21.101
flat angles C4'-P-C4' energy: -24.518
flat angles P-C4'-P energy: -14.277
tors. eta vs tors. theta energy: -28.082
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: 3, replica: 2
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -359.291373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.291373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.887699 (E_RNA)
where:
Base-Base interactions energy: -256.490
where: short stacking energy: -90.675
Base-Backbone interact. energy: -1.091
local terms energy: -103.306999
where:
bonds (distance) C4'-P energy: -20.645
bonds (distance) P-C4' energy: -24.088
flat angles C4'-P-C4' energy: -23.335
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -26.987
Dist. restrs. and SS energy: 1.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -349.940465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.940465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.243783 (E_RNA)
where:
Base-Base interactions energy: -243.167
where: short stacking energy: -89.656
Base-Backbone interact. energy: -1.125
local terms energy: -106.952056
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -21.094
flat angles C4'-P-C4' energy: -26.410
flat angles P-C4'-P energy: -19.179
tors. eta vs tors. theta energy: -23.201
Dist. restrs. and SS energy: 1.303 (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: 3
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -314.646476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.646476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.222246 (E_RNA)
where:
Base-Base interactions energy: -212.761
where: short stacking energy: -92.341
Base-Backbone interact. energy: -1.178
local terms energy: -102.282742
where:
bonds (distance) C4'-P energy: -18.259
bonds (distance) P-C4' energy: -22.097
flat angles C4'-P-C4' energy: -23.411
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -25.358
Dist. restrs. and SS energy: 1.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -294.354607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.354607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.840553 (E_RNA)
where:
Base-Base interactions energy: -206.494
where: short stacking energy: -74.923
Base-Backbone interact. energy: -0.428
local terms energy: -88.918174
where:
bonds (distance) C4'-P energy: -18.916
bonds (distance) P-C4' energy: -20.722
flat angles C4'-P-C4' energy: -18.845
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -18.217
Dist. restrs. and SS energy: 1.486 (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: 7
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -281.557844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.557844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.615669 (E_RNA)
where:
Base-Base interactions energy: -198.409
where: short stacking energy: -77.665
Base-Backbone interact. energy: -0.155
local terms energy: -83.051717
where:
bonds (distance) C4'-P energy: -18.759
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -22.715
flat angles P-C4'-P energy: -15.296
tors. eta vs tors. theta energy: -12.919
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: 4
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -280.888258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.888258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.190871 (E_RNA)
where:
Base-Base interactions energy: -181.910
where: short stacking energy: -76.667
Base-Backbone interact. energy: -0.608
local terms energy: -99.673355
where:
bonds (distance) C4'-P energy: -26.208
bonds (distance) P-C4' energy: -20.829
flat angles C4'-P-C4' energy: -21.955
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -20.471
Dist. restrs. and SS energy: 1.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -257.584946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.584946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.217436 (E_RNA)
where:
Base-Base interactions energy: -177.560
where: short stacking energy: -67.125
Base-Backbone interact. energy: -1.585
local terms energy: -86.072751
where:
bonds (distance) C4'-P energy: -19.898
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -20.054
flat angles P-C4'-P energy: -14.503
tors. eta vs tors. theta energy: -18.558
Dist. restrs. and SS energy: 7.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -228.459864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.459864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.456591 (E_RNA)
where:
Base-Base interactions energy: -161.327
where: short stacking energy: -59.996
Base-Backbone interact. energy: -0.231
local terms energy: -68.898181
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -12.824
Dist. restrs. and SS energy: 1.997 (S_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: -368.968228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.968228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.119794 (E_RNA)
where:
Base-Base interactions energy: -262.791
where: short stacking energy: -100.812
Base-Backbone interact. energy: -0.408
local terms energy: -106.920422
where:
bonds (distance) C4'-P energy: -20.031
bonds (distance) P-C4' energy: -22.357
flat angles C4'-P-C4' energy: -21.829
flat angles P-C4'-P energy: -16.272
tors. eta vs tors. theta energy: -26.432
Dist. restrs. and SS energy: 1.152 (S_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: 454
Temperature: 0.950000
Total energy: -358.372760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.372760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.872197 (E_RNA)
where:
Base-Base interactions energy: -250.931
where: short stacking energy: -97.478
Base-Backbone interact. energy: -0.666
local terms energy: -107.275367
where:
bonds (distance) C4'-P energy: -21.917
bonds (distance) P-C4' energy: -21.630
flat angles C4'-P-C4' energy: -25.251
flat angles P-C4'-P energy: -15.447
tors. eta vs tors. theta energy: -23.031
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: 1
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -343.168594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.168594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.028030 (E_RNA)
where:
Base-Base interactions energy: -232.427
where: short stacking energy: -91.998
Base-Backbone interact. energy: -0.655
local terms energy: -111.945755
where:
bonds (distance) C4'-P energy: -25.683
bonds (distance) P-C4' energy: -19.629
flat angles C4'-P-C4' energy: -22.048
flat angles P-C4'-P energy: -17.823
tors. eta vs tors. theta energy: -26.763
Dist. restrs. and SS energy: 1.859 (S_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: -356.819032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.819032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.424810 (E_RNA)
where:
Base-Base interactions energy: -252.042
where: short stacking energy: -98.768
Base-Backbone interact. energy: -0.913
local terms energy: -105.470092
where:
bonds (distance) C4'-P energy: -23.145
bonds (distance) P-C4' energy: -20.598
flat angles C4'-P-C4' energy: -22.851
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -27.003
Dist. restrs. and SS energy: 1.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -327.335048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.335048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.658785 (E_RNA)
where:
Base-Base interactions energy: -224.785
where: short stacking energy: -99.154
Base-Backbone interact. energy: -0.845
local terms energy: -102.028283
where:
bonds (distance) C4'-P energy: -21.327
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -20.176
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -29.644
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: 6, replica: 8
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -286.788407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.788407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.061478 (E_RNA)
where:
Base-Base interactions energy: -188.450
where: short stacking energy: -75.414
Base-Backbone interact. energy: -0.697
local terms energy: -97.913840
where:
bonds (distance) C4'-P energy: -24.001
bonds (distance) P-C4' energy: -21.275
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -24.399
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: 7, replica: 4
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -286.034610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.034610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.428102 (E_RNA)
where:
Base-Base interactions energy: -200.783
where: short stacking energy: -90.422
Base-Backbone interact. energy: 2.565
local terms energy: -91.209767
where:
bonds (distance) C4'-P energy: -18.960
bonds (distance) P-C4' energy: -19.611
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -14.557
tors. eta vs tors. theta energy: -21.644
Dist. restrs. and SS energy: 3.393 (S_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: 454
Temperature: 1.250000
Total energy: -265.856166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.856166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.026226 (E_RNA)
where:
Base-Base interactions energy: -167.918
where: short stacking energy: -72.496
Base-Backbone interact. energy: -1.059
local terms energy: -97.048808
where:
bonds (distance) C4'-P energy: -25.000
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -23.222
flat angles P-C4'-P energy: -14.373
tors. eta vs tors. theta energy: -17.238
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: 5
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -216.963636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.963636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.006709 (E_RNA)
where:
Base-Base interactions energy: -144.649
where: short stacking energy: -56.723
Base-Backbone interact. energy: -0.551
local terms energy: -76.806676
where:
bonds (distance) C4'-P energy: -19.150
bonds (distance) P-C4' energy: -23.895
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -7.534
Dist. restrs. and SS energy: 5.043 (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: 454
Temperature: 1.350000
Total energy: -216.958764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.958764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.448398 (E_RNA)
where:
Base-Base interactions energy: -154.498
where: short stacking energy: -58.916
Base-Backbone interact. energy: 0.338
local terms energy: -73.288352
where:
bonds (distance) C4'-P energy: -23.463
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -4.277
Dist. restrs. and SS energy: 10.490 (S_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: -358.617293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.617293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.885954 (E_RNA)
where:
Base-Base interactions energy: -254.903
where: short stacking energy: -104.848
Base-Backbone interact. energy: -0.656
local terms energy: -104.326798
where:
bonds (distance) C4'-P energy: -24.059
bonds (distance) P-C4' energy: -19.307
flat angles C4'-P-C4' energy: -20.058
flat angles P-C4'-P energy: -14.012
tors. eta vs tors. theta energy: -26.892
Dist. restrs. and SS energy: 1.269 (S_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: 455
Temperature: 0.950000
Total energy: -357.879100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.879100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.053914 (E_RNA)
where:
Base-Base interactions energy: -250.740
where: short stacking energy: -107.539
Base-Backbone interact. energy: -0.782
local terms energy: -108.531979
where:
bonds (distance) C4'-P energy: -19.506
bonds (distance) P-C4' energy: -21.470
flat angles C4'-P-C4' energy: -26.275
flat angles P-C4'-P energy: -16.213
tors. eta vs tors. theta energy: -25.067
Dist. restrs. and SS energy: 2.175 (S_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: 455
Temperature: 1.000000
Total energy: -357.345088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.345088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.631680 (E_RNA)
where:
Base-Base interactions energy: -246.807
where: short stacking energy: -98.338
Base-Backbone interact. energy: -0.524
local terms energy: -111.300065
where:
bonds (distance) C4'-P energy: -22.934
bonds (distance) P-C4' energy: -19.118
flat angles C4'-P-C4' energy: -23.759
flat angles P-C4'-P energy: -17.405
tors. eta vs tors. theta energy: -28.084
Dist. restrs. and SS energy: 1.287 (S_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: 455
Temperature: 1.050000
Total energy: -330.069490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.069490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.163763 (E_RNA)
where:
Base-Base interactions energy: -230.576
where: short stacking energy: -84.740
Base-Backbone interact. energy: -1.543
local terms energy: -98.045249
where:
bonds (distance) C4'-P energy: -21.743
bonds (distance) P-C4' energy: -24.460
flat angles C4'-P-C4' energy: -20.715
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -18.589
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: 2
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -338.537601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.537601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.329197 (E_RNA)
where:
Base-Base interactions energy: -238.368
where: short stacking energy: -90.180
Base-Backbone interact. energy: 0.109
local terms energy: -101.070212
where:
bonds (distance) C4'-P energy: -20.103
bonds (distance) P-C4' energy: -22.059
flat angles C4'-P-C4' energy: -21.661
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -23.777
Dist. restrs. and SS energy: 0.792 (S_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: 455
Temperature: 1.150000
Total energy: -290.399184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.399184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.593391 (E_RNA)
where:
Base-Base interactions energy: -207.164
where: short stacking energy: -80.122
Base-Backbone interact. energy: -0.311
local terms energy: -84.117965
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -22.294
flat angles C4'-P-C4' energy: -18.798
flat angles P-C4'-P energy: -6.857
tors. eta vs tors. theta energy: -21.410
Dist. restrs. and SS energy: 1.194 (S_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: 455
Temperature: 1.200000
Total energy: -274.440118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.440118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.489064 (E_RNA)
where:
Base-Base interactions energy: -185.073
where: short stacking energy: -77.727
Base-Backbone interact. energy: -0.693
local terms energy: -89.723593
where:
bonds (distance) C4'-P energy: -21.068
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -18.653
flat angles P-C4'-P energy: -17.452
tors. eta vs tors. theta energy: -17.443
Dist. restrs. and SS energy: 1.049 (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: 5
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -241.835211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.835211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.553381 (E_RNA)
where:
Base-Base interactions energy: -158.504
where: short stacking energy: -67.632
Base-Backbone interact. energy: -0.137
local terms energy: -87.912135
where:
bonds (distance) C4'-P energy: -18.756
bonds (distance) P-C4' energy: -23.238
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -22.930
Dist. restrs. and SS energy: 4.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -253.103037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.103037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.519978 (E_RNA)
where:
Base-Base interactions energy: -165.581
where: short stacking energy: -59.836
Base-Backbone interact. energy: -0.295
local terms energy: -88.643967
where:
bonds (distance) C4'-P energy: -19.041
bonds (distance) P-C4' energy: -22.784
flat angles C4'-P-C4' energy: -19.554
flat angles P-C4'-P energy: -13.650
tors. eta vs tors. theta energy: -13.615
Dist. restrs. and SS energy: 1.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -210.813074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.813074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.033123 (E_RNA)
where:
Base-Base interactions energy: -150.282
where: short stacking energy: -53.318
Base-Backbone interact. energy: -1.003
local terms energy: -60.748561
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -8.669
flat angles C4'-P-C4' energy: -21.977
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -5.039
Dist. restrs. and SS energy: 1.220 (S_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: 456
Temperature: 0.900000
Total energy: -364.896940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.896940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.890638 (E_RNA)
where:
Base-Base interactions energy: -253.594
where: short stacking energy: -87.453
Base-Backbone interact. energy: -0.815
local terms energy: -111.481457
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -22.425
flat angles C4'-P-C4' energy: -25.674
flat angles P-C4'-P energy: -19.481
tors. eta vs tors. theta energy: -24.764
Dist. restrs. and SS energy: 0.994 (S_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: -372.598453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.598453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.831929 (E_RNA)
where:
Base-Base interactions energy: -254.534
where: short stacking energy: -99.751
Base-Backbone interact. energy: -1.343
local terms energy: -117.955406
where:
bonds (distance) C4'-P energy: -23.374
bonds (distance) P-C4' energy: -26.228
flat angles C4'-P-C4' energy: -22.164
flat angles P-C4'-P energy: -16.119
tors. eta vs tors. theta energy: -30.070
Dist. restrs. and SS energy: 1.233 (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: 3
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -326.061235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.061235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.296112 (E_RNA)
where:
Base-Base interactions energy: -224.482
where: short stacking energy: -90.598
Base-Backbone interact. energy: 0.537
local terms energy: -103.350698
where:
bonds (distance) C4'-P energy: -19.216
bonds (distance) P-C4' energy: -21.287
flat angles C4'-P-C4' energy: -24.192
flat angles P-C4'-P energy: -14.684
tors. eta vs tors. theta energy: -23.972
Dist. restrs. and SS energy: 1.235 (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: 9
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -351.192795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.192795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.587584 (E_RNA)
where:
Base-Base interactions energy: -249.010
where: short stacking energy: -91.255
Base-Backbone interact. energy: 0.087
local terms energy: -103.664658
where:
bonds (distance) C4'-P energy: -17.445
bonds (distance) P-C4' energy: -18.372
flat angles C4'-P-C4' energy: -25.890
flat angles P-C4'-P energy: -18.016
tors. eta vs tors. theta energy: -23.942
Dist. restrs. and SS energy: 1.395 (S_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: 456
Temperature: 1.100000
Total energy: -332.841657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.841657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.340325 (E_RNA)
where:
Base-Base interactions energy: -224.207
where: short stacking energy: -81.508
Base-Backbone interact. energy: -0.415
local terms energy: -109.718028
where:
bonds (distance) C4'-P energy: -24.287
bonds (distance) P-C4' energy: -22.079
flat angles C4'-P-C4' energy: -18.298
flat angles P-C4'-P energy: -16.142
tors. eta vs tors. theta energy: -28.913
Dist. restrs. and SS energy: 1.499 (S_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: 456
Temperature: 1.150000
Total energy: -283.526970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.526970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.955908 (E_RNA)
where:
Base-Base interactions energy: -189.928
where: short stacking energy: -76.265
Base-Backbone interact. energy: -0.370
local terms energy: -93.658051
where:
bonds (distance) C4'-P energy: -22.305
bonds (distance) P-C4' energy: -25.080
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -14.571
tors. eta vs tors. theta energy: -16.632
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: 7, replica: 5
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -266.606388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.606388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.959683 (E_RNA)
where:
Base-Base interactions energy: -181.218
where: short stacking energy: -77.385
Base-Backbone interact. energy: 0.736
local terms energy: -90.477200
where:
bonds (distance) C4'-P energy: -22.095
bonds (distance) P-C4' energy: -19.147
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -21.158
Dist. restrs. and SS energy: 4.353 (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: 8
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -259.228902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.228902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.284949 (E_RNA)
where:
Base-Base interactions energy: -180.002
where: short stacking energy: -72.357
Base-Backbone interact. energy: 0.607
local terms energy: -82.889793
where:
bonds (distance) C4'-P energy: -21.312
bonds (distance) P-C4' energy: -22.603
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -11.223
Dist. restrs. and SS energy: 3.056 (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: 456
Temperature: 1.300000
Total energy: -239.687595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.687595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.734462 (E_RNA)
where:
Base-Base interactions energy: -168.252
where: short stacking energy: -69.264
Base-Backbone interact. energy: -1.032
local terms energy: -72.450212
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -19.107
Dist. restrs. and SS energy: 2.047 (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: 456
Temperature: 1.350000
Total energy: -204.910105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.910105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.275575 (E_RNA)
where:
Base-Base interactions energy: -129.462
where: short stacking energy: -54.697
Base-Backbone interact. energy: -0.553
local terms energy: -78.260001
where:
bonds (distance) C4'-P energy: -21.659
bonds (distance) P-C4' energy: -18.043
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -16.331
tors. eta vs tors. theta energy: -7.753
Dist. restrs. and SS energy: 3.365 (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: 1
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -368.247399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.247399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.972247 (E_RNA)
where:
Base-Base interactions energy: -250.923
where: short stacking energy: -91.203
Base-Backbone interact. energy: -1.078
local terms energy: -116.971470
where:
bonds (distance) C4'-P energy: -19.722
bonds (distance) P-C4' energy: -26.316
flat angles C4'-P-C4' energy: -27.557
flat angles P-C4'-P energy: -18.715
tors. eta vs tors. theta energy: -24.662
Dist. restrs. and SS energy: 0.725 (S_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: 457
Temperature: 0.950000
Total energy: -377.568683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.568683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.416165 (E_RNA)
where:
Base-Base interactions energy: -264.585
where: short stacking energy: -103.206
Base-Backbone interact. energy: 2.237
local terms energy: -117.068204
where:
bonds (distance) C4'-P energy: -22.557
bonds (distance) P-C4' energy: -21.249
flat angles C4'-P-C4' energy: -26.051
flat angles P-C4'-P energy: -18.749
tors. eta vs tors. theta energy: -28.462
Dist. restrs. and SS energy: 1.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -334.257746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.257746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.015828 (E_RNA)
where:
Base-Base interactions energy: -224.669
where: short stacking energy: -99.061
Base-Backbone interact. energy: -1.572
local terms energy: -108.775470
where:
bonds (distance) C4'-P energy: -18.970
bonds (distance) P-C4' energy: -25.811
flat angles C4'-P-C4' energy: -22.554
flat angles P-C4'-P energy: -14.995
tors. eta vs tors. theta energy: -26.444
Dist. restrs. and SS energy: 0.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -339.489916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.489916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.051927 (E_RNA)
where:
Base-Base interactions energy: -238.137
where: short stacking energy: -88.811
Base-Backbone interact. energy: -0.727
local terms energy: -101.188087
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -23.705
flat angles C4'-P-C4' energy: -21.948
flat angles P-C4'-P energy: -16.980
tors. eta vs tors. theta energy: -24.220
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: 457
Temperature: 1.100000
Total energy: -348.864317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.864317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.916256 (E_RNA)
where:
Base-Base interactions energy: -244.534
where: short stacking energy: -90.657
Base-Backbone interact. energy: -1.590
local terms energy: -103.792257
where:
bonds (distance) C4'-P energy: -19.524
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -22.160
flat angles P-C4'-P energy: -15.868
tors. eta vs tors. theta energy: -29.748
Dist. restrs. and SS energy: 1.052 (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: 4
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -288.117286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.117286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.816943 (E_RNA)
where:
Base-Base interactions energy: -193.948
where: short stacking energy: -81.604
Base-Backbone interact. energy: -0.816
local terms energy: -95.052781
where:
bonds (distance) C4'-P energy: -22.533
bonds (distance) P-C4' energy: -16.701
flat angles C4'-P-C4' energy: -24.420
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -19.566
Dist. restrs. and SS energy: 1.700 (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: 5
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -260.378848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.378848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.822760 (E_RNA)
where:
Base-Base interactions energy: -180.838
where: short stacking energy: -65.098
Base-Backbone interact. energy: 0.261
local terms energy: -84.246140
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -20.037
flat angles C4'-P-C4' energy: -21.833
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -14.340
Dist. restrs. and SS energy: 4.444 (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: 8
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -224.917054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.917054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.074416 (E_RNA)
where:
Base-Base interactions energy: -157.103
where: short stacking energy: -58.215
Base-Backbone interact. energy: -1.591
local terms energy: -69.380256
where:
bonds (distance) C4'-P energy: -10.388
bonds (distance) P-C4' energy: -21.669
flat angles C4'-P-C4' energy: -21.401
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -4.970
Dist. restrs. and SS energy: 3.157 (S_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: 457
Temperature: 1.300000
Total energy: -258.916483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.916483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.478516 (E_RNA)
where:
Base-Base interactions energy: -172.515
where: short stacking energy: -75.019
Base-Backbone interact. energy: -0.173
local terms energy: -86.790283
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -19.416
flat angles P-C4'-P energy: -16.620
tors. eta vs tors. theta energy: -18.595
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: 10, replica: 10
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -196.794713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.794713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.480280 (E_RNA)
where:
Base-Base interactions energy: -124.969
where: short stacking energy: -50.259
Base-Backbone interact. energy: 0.215
local terms energy: -73.726137
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -18.592
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -18.184
tors. eta vs tors. theta energy: -7.253
Dist. restrs. and SS energy: 1.686 (S_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: 458
Temperature: 0.900000
Total energy: -368.740437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.740437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.292853 (E_RNA)
where:
Base-Base interactions energy: -262.367
where: short stacking energy: -91.521
Base-Backbone interact. energy: -0.867
local terms energy: -107.058869
where:
bonds (distance) C4'-P energy: -20.554
bonds (distance) P-C4' energy: -22.412
flat angles C4'-P-C4' energy: -23.917
flat angles P-C4'-P energy: -16.991
tors. eta vs tors. theta energy: -23.185
Dist. restrs. and SS energy: 1.552 (S_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: 458
Temperature: 0.950000
Total energy: -366.673367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.673367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.590949 (E_RNA)
where:
Base-Base interactions energy: -261.753
where: short stacking energy: -105.192
Base-Backbone interact. energy: 0.144
local terms energy: -105.982356
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -25.359
flat angles C4'-P-C4' energy: -21.136
flat angles P-C4'-P energy: -14.523
tors. eta vs tors. theta energy: -26.396
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: 3, replica: 9
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -367.688702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.688702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.190826 (E_RNA)
where:
Base-Base interactions energy: -258.609
where: short stacking energy: -103.142
Base-Backbone interact. energy: -0.399
local terms energy: -110.182768
where:
bonds (distance) C4'-P energy: -18.935
bonds (distance) P-C4' energy: -21.209
flat angles C4'-P-C4' energy: -23.440
flat angles P-C4'-P energy: -18.133
tors. eta vs tors. theta energy: -28.466
Dist. restrs. and SS energy: 1.502 (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: 3
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -340.634024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.634024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.373764 (E_RNA)
where:
Base-Base interactions energy: -240.049
where: short stacking energy: -98.515
Base-Backbone interact. energy: -0.223
local terms energy: -101.101459
where:
bonds (distance) C4'-P energy: -23.842
bonds (distance) P-C4' energy: -19.669
flat angles C4'-P-C4' energy: -19.004
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -25.985
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: 5, replica: 2
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -332.749796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.749796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.709053 (E_RNA)
where:
Base-Base interactions energy: -235.073
where: short stacking energy: -93.681
Base-Backbone interact. energy: -0.200
local terms energy: -98.435713
where:
bonds (distance) C4'-P energy: -20.635
bonds (distance) P-C4' energy: -22.039
flat angles C4'-P-C4' energy: -19.827
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -26.340
Dist. restrs. and SS energy: 0.959 (S_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: 458
Temperature: 1.150000
Total energy: -301.737475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.737475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.145644 (E_RNA)
where:
Base-Base interactions energy: -204.806
where: short stacking energy: -78.804
Base-Backbone interact. energy: -1.382
local terms energy: -95.957283
where:
bonds (distance) C4'-P energy: -20.015
bonds (distance) P-C4' energy: -25.148
flat angles C4'-P-C4' energy: -21.688
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -18.520
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: 5
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -259.290995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.290995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.611166 (E_RNA)
where:
Base-Base interactions energy: -173.627
where: short stacking energy: -64.346
Base-Backbone interact. energy: -0.568
local terms energy: -89.417042
where:
bonds (distance) C4'-P energy: -20.682
bonds (distance) P-C4' energy: -24.367
flat angles C4'-P-C4' energy: -21.287
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -13.958
Dist. restrs. and SS energy: 4.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -251.265588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.265588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.325533 (E_RNA)
where:
Base-Base interactions energy: -160.022
where: short stacking energy: -62.502
Base-Backbone interact. energy: -0.055
local terms energy: -91.248436
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -19.808
flat angles C4'-P-C4' energy: -22.267
flat angles P-C4'-P energy: -15.046
tors. eta vs tors. theta energy: -15.834
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: 9, replica: 7
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -241.177262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.177262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.307433 (E_RNA)
where:
Base-Base interactions energy: -175.636
where: short stacking energy: -65.522
Base-Backbone interact. energy: 3.416
local terms energy: -69.088280
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -20.622
flat angles P-C4'-P energy: -13.799
tors. eta vs tors. theta energy: -5.826
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: 10
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -214.886825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.886825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.071087 (E_RNA)
where:
Base-Base interactions energy: -144.611
where: short stacking energy: -47.534
Base-Backbone interact. energy: -0.248
local terms energy: -70.211876
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -26.243
flat angles C4'-P-C4' energy: -9.438
flat angles P-C4'-P energy: -13.789
tors. eta vs tors. theta energy: -4.288
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: 1, replica: 1
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -369.261944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.261944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.555943 (E_RNA)
where:
Base-Base interactions energy: -252.098
where: short stacking energy: -100.290
Base-Backbone interact. energy: -1.710
local terms energy: -116.747972
where:
bonds (distance) C4'-P energy: -18.504
bonds (distance) P-C4' energy: -23.950
flat angles C4'-P-C4' energy: -23.844
flat angles P-C4'-P energy: -18.364
tors. eta vs tors. theta energy: -32.086
Dist. restrs. and SS energy: 1.294 (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: 459
Temperature: 0.950000
Total energy: -366.442833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.442833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.844216 (E_RNA)
where:
Base-Base interactions energy: -258.333
where: short stacking energy: -98.125
Base-Backbone interact. energy: -1.151
local terms energy: -108.360057
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -22.490
flat angles C4'-P-C4' energy: -22.773
flat angles P-C4'-P energy: -16.928
tors. eta vs tors. theta energy: -28.005
Dist. restrs. and SS energy: 1.401 (S_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: 459
Temperature: 1.000000
Total energy: -366.051071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.051071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.699209 (E_RNA)
where:
Base-Base interactions energy: -265.291
where: short stacking energy: -99.148
Base-Backbone interact. energy: -1.273
local terms energy: -100.134633
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -21.892
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -16.897
tors. eta vs tors. theta energy: -27.503
Dist. restrs. and SS energy: 0.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -329.588699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.588699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.408267 (E_RNA)
where:
Base-Base interactions energy: -232.234
where: short stacking energy: -96.754
Base-Backbone interact. energy: -2.342
local terms energy: -96.832504
where:
bonds (distance) C4'-P energy: -17.743
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -19.490
flat angles P-C4'-P energy: -16.973
tors. eta vs tors. theta energy: -25.190
Dist. restrs. and SS energy: 1.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -315.767176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.767176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.713278 (E_RNA)
where:
Base-Base interactions energy: -228.155
where: short stacking energy: -90.749
Base-Backbone interact. energy: -0.240
local terms energy: -88.317590
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -20.983
flat angles C4'-P-C4' energy: -20.870
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -23.170
Dist. restrs. and SS energy: 0.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -261.708603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.708603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.772246 (E_RNA)
where:
Base-Base interactions energy: -185.505
where: short stacking energy: -69.270
Base-Backbone interact. energy: -0.183
local terms energy: -77.084664
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -11.427
flat angles P-C4'-P energy: -15.248
tors. eta vs tors. theta energy: -16.746
Dist. restrs. and SS energy: 1.064 (S_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: 459
Temperature: 1.200000
Total energy: -279.473345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.473345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.268801 (E_RNA)
where:
Base-Base interactions energy: -194.224
where: short stacking energy: -89.480
Base-Backbone interact. energy: 0.487
local terms energy: -87.531537
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -20.984
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -22.002
Dist. restrs. and SS energy: 1.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -228.776383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.776383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.917656 (E_RNA)
where:
Base-Base interactions energy: -138.966
where: short stacking energy: -52.234
Base-Backbone interact. energy: -0.532
local terms energy: -90.419299
where:
bonds (distance) C4'-P energy: -21.374
bonds (distance) P-C4' energy: -25.958
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -17.161
tors. eta vs tors. theta energy: -13.625
Dist. restrs. and SS energy: 1.141 (S_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: 459
Temperature: 1.300000
Total energy: -223.076148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.076148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.127731 (E_RNA)
where:
Base-Base interactions energy: -145.532
where: short stacking energy: -55.952
Base-Backbone interact. energy: -0.078
local terms energy: -79.516952
where:
bonds (distance) C4'-P energy: -17.866
bonds (distance) P-C4' energy: -23.150
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -15.560
tors. eta vs tors. theta energy: -8.036
Dist. restrs. and SS energy: 2.052 (S_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: 459
Temperature: 1.350000
Total energy: -225.911659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.911659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.373514 (E_RNA)
where:
Base-Base interactions energy: -139.278
where: short stacking energy: -53.947
Base-Backbone interact. energy: -0.986
local terms energy: -86.109029
where:
bonds (distance) C4'-P energy: -23.978
bonds (distance) P-C4' energy: -23.343
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -7.926
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: 1, replica: 9
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -371.805978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.805978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.561541 (E_RNA)
where:
Base-Base interactions energy: -263.076
where: short stacking energy: -97.353
Base-Backbone interact. energy: -0.835
local terms energy: -109.650858
where:
bonds (distance) C4'-P energy: -19.730
bonds (distance) P-C4' energy: -23.032
flat angles C4'-P-C4' energy: -23.685
flat angles P-C4'-P energy: -16.553
tors. eta vs tors. theta energy: -26.651
Dist. restrs. and SS energy: 1.756 (S_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: 460
Temperature: 0.950000
Total energy: -365.966633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.966633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.409041 (E_RNA)
where:
Base-Base interactions energy: -254.359
where: short stacking energy: -109.068
Base-Backbone interact. energy: -1.810
local terms energy: -111.240058
where:
bonds (distance) C4'-P energy: -22.430
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -23.869
flat angles P-C4'-P energy: -15.741
tors. eta vs tors. theta energy: -30.727
Dist. restrs. and SS energy: 1.442 (S_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: 460
Temperature: 1.000000
Total energy: -349.789987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.789987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.822056 (E_RNA)
where:
Base-Base interactions energy: -241.676
where: short stacking energy: -96.489
Base-Backbone interact. energy: 1.530
local terms energy: -109.675384
where:
bonds (distance) C4'-P energy: -21.022
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -22.246
flat angles P-C4'-P energy: -15.593
tors. eta vs tors. theta energy: -23.975
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: 4, replica: 2
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -357.803450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.803450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.113936 (E_RNA)
where:
Base-Base interactions energy: -254.303
where: short stacking energy: -94.364
Base-Backbone interact. energy: -0.854
local terms energy: -103.956350
where:
bonds (distance) C4'-P energy: -18.857
bonds (distance) P-C4' energy: -19.451
flat angles C4'-P-C4' energy: -23.074
flat angles P-C4'-P energy: -16.077
tors. eta vs tors. theta energy: -26.497
Dist. restrs. and SS energy: 1.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -298.178787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.178787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.110207 (E_RNA)
where:
Base-Base interactions energy: -208.499
where: short stacking energy: -78.412
Base-Backbone interact. energy: 0.044
local terms energy: -92.655620
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -21.570
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -13.006
tors. eta vs tors. theta energy: -23.537
Dist. restrs. and SS energy: 2.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -314.417637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.417637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.350869 (E_RNA)
where:
Base-Base interactions energy: -218.908
where: short stacking energy: -91.398
Base-Backbone interact. energy: -0.101
local terms energy: -97.341554
where:
bonds (distance) C4'-P energy: -21.233
bonds (distance) P-C4' energy: -19.992
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -29.946
Dist. restrs. and SS energy: 1.933 (S_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: 460
Temperature: 1.200000
Total energy: -281.661724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.661724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.328370 (E_RNA)
where:
Base-Base interactions energy: -190.141
where: short stacking energy: -73.241
Base-Backbone interact. energy: -0.176
local terms energy: -94.010886
where:
bonds (distance) C4'-P energy: -26.565
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -24.603
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -18.686
Dist. restrs. and SS energy: 2.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -214.899176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.899176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.770181 (E_RNA)
where:
Base-Base interactions energy: -140.424
where: short stacking energy: -62.468
Base-Backbone interact. energy: 1.616
local terms energy: -81.962328
where:
bonds (distance) C4'-P energy: -24.664
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -16.372
tors. eta vs tors. theta energy: -9.948
Dist. restrs. and SS energy: 5.871 (S_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: 460
Temperature: 1.300000
Total energy: -235.879815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.879815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.604214 (E_RNA)
where:
Base-Base interactions energy: -156.500
where: short stacking energy: -58.053
Base-Backbone interact. energy: -0.338
local terms energy: -84.765592
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -21.873
flat angles P-C4'-P energy: -17.613
tors. eta vs tors. theta energy: -11.938
Dist. restrs. and SS energy: 5.724 (S_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: 460
Temperature: 1.350000
Total energy: -215.994816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.994816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.208519 (E_RNA)
where:
Base-Base interactions energy: -140.577
where: short stacking energy: -68.008
Base-Backbone interact. energy: -1.327
local terms energy: -81.304686
where:
bonds (distance) C4'-P energy: -20.686
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -19.121
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -14.849
Dist. restrs. and SS energy: 7.214 (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: 9
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -361.564665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.564665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.409938 (E_RNA)
where:
Base-Base interactions energy: -247.884
where: short stacking energy: -99.234
Base-Backbone interact. energy: -0.492
local terms energy: -115.034342
where:
bonds (distance) C4'-P energy: -24.799
bonds (distance) P-C4' energy: -25.664
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -18.644
tors. eta vs tors. theta energy: -28.675
Dist. restrs. and SS energy: 1.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -346.978168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.978168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.354599 (E_RNA)
where:
Base-Base interactions energy: -242.046
where: short stacking energy: -87.556
Base-Backbone interact. energy: 1.136
local terms energy: -106.444653
where:
bonds (distance) C4'-P energy: -24.039
bonds (distance) P-C4' energy: -23.788
flat angles C4'-P-C4' energy: -19.901
flat angles P-C4'-P energy: -16.467
tors. eta vs tors. theta energy: -22.249
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: 3, replica: 1
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -362.958665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.958665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.312452 (E_RNA)
where:
Base-Base interactions energy: -248.840
where: short stacking energy: -94.160
Base-Backbone interact. energy: -2.283
local terms energy: -113.189411
where:
bonds (distance) C4'-P energy: -20.616
bonds (distance) P-C4' energy: -22.413
flat angles C4'-P-C4' energy: -21.039
flat angles P-C4'-P energy: -19.070
tors. eta vs tors. theta energy: -30.051
Dist. restrs. and SS energy: 1.354 (S_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: 461
Temperature: 1.050000
Total energy: -336.410265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.410265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.871025 (E_RNA)
where:
Base-Base interactions energy: -223.519
where: short stacking energy: -92.979
Base-Backbone interact. energy: 1.117
local terms energy: -115.469431
where:
bonds (distance) C4'-P energy: -20.389
bonds (distance) P-C4' energy: -23.765
flat angles C4'-P-C4' energy: -24.143
flat angles P-C4'-P energy: -19.865
tors. eta vs tors. theta energy: -27.307
Dist. restrs. and SS energy: 1.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -295.835730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.835730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.832740 (E_RNA)
where:
Base-Base interactions energy: -203.822
where: short stacking energy: -98.924
Base-Backbone interact. energy: -0.470
local terms energy: -96.540871
where:
bonds (distance) C4'-P energy: -16.592
bonds (distance) P-C4' energy: -21.541
flat angles C4'-P-C4' energy: -22.527
flat angles P-C4'-P energy: -13.539
tors. eta vs tors. theta energy: -22.342
Dist. restrs. and SS energy: 4.997 (S_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: 461
Temperature: 1.150000
Total energy: -315.279108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.279108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.451657 (E_RNA)
where:
Base-Base interactions energy: -218.792
where: short stacking energy: -87.601
Base-Backbone interact. energy: -1.109
local terms energy: -95.550572
where:
bonds (distance) C4'-P energy: -22.052
bonds (distance) P-C4' energy: -22.445
flat angles C4'-P-C4' energy: -18.829
flat angles P-C4'-P energy: -14.198
tors. eta vs tors. theta energy: -18.027
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: 7, replica: 3
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -278.317878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.317878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.175760 (E_RNA)
where:
Base-Base interactions energy: -183.631
where: short stacking energy: -72.235
Base-Backbone interact. energy: -0.083
local terms energy: -96.462286
where:
bonds (distance) C4'-P energy: -21.017
bonds (distance) P-C4' energy: -19.531
flat angles C4'-P-C4' energy: -21.934
flat angles P-C4'-P energy: -15.541
tors. eta vs tors. theta energy: -18.439
Dist. restrs. and SS energy: 1.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -257.562728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.562728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.041166 (E_RNA)
where:
Base-Base interactions energy: -178.760
where: short stacking energy: -70.451
Base-Backbone interact. energy: -0.228
local terms energy: -80.053901
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -22.582
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: -12.096
Dist. restrs. and SS energy: 1.478 (S_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: -208.412532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.412532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.062734 (E_RNA)
where:
Base-Base interactions energy: -136.431
where: short stacking energy: -64.559
Base-Backbone interact. energy: -0.148
local terms energy: -74.483709
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -18.110
flat angles C4'-P-C4' energy: -23.247
flat angles P-C4'-P energy: -15.562
tors. eta vs tors. theta energy: -6.156
Dist. restrs. and SS energy: 2.650 (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: 10
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -208.657684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.657684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.785322 (E_RNA)
where:
Base-Base interactions energy: -145.199
where: short stacking energy: -54.483
Base-Backbone interact. energy: -0.764
local terms energy: -68.822001
where:
bonds (distance) C4'-P energy: -9.446
bonds (distance) P-C4' energy: -19.571
flat angles C4'-P-C4' energy: -19.315
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -10.981
Dist. restrs. and SS energy: 6.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -368.396752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.396752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.396752 (E_RNA)
where:
Base-Base interactions energy: -268.111
where: short stacking energy: -105.616
Base-Backbone interact. energy: -1.250
local terms energy: -99.035264
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -23.457
flat angles C4'-P-C4' energy: -22.540
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -26.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -358.186414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.186414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.171112 (E_RNA)
where:
Base-Base interactions energy: -249.585
where: short stacking energy: -91.546
Base-Backbone interact. energy: 1.123
local terms energy: -110.708265
where:
bonds (distance) C4'-P energy: -20.753
bonds (distance) P-C4' energy: -20.268
flat angles C4'-P-C4' energy: -24.057
flat angles P-C4'-P energy: -18.044
tors. eta vs tors. theta energy: -27.585
Dist. restrs. and SS energy: 0.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -352.408352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.408352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.006104 (E_RNA)
where:
Base-Base interactions energy: -250.205
where: short stacking energy: -94.152
Base-Backbone interact. energy: -1.101
local terms energy: -102.699525
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -21.674
flat angles C4'-P-C4' energy: -22.104
flat angles P-C4'-P energy: -13.033
tors. eta vs tors. theta energy: -29.417
Dist. restrs. and SS energy: 1.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -349.900643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.900643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.860601 (E_RNA)
where:
Base-Base interactions energy: -234.813
where: short stacking energy: -88.161
Base-Backbone interact. energy: -1.468
local terms energy: -114.580409
where:
bonds (distance) C4'-P energy: -23.675
bonds (distance) P-C4' energy: -25.222
flat angles C4'-P-C4' energy: -23.619
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: -27.409
Dist. restrs. and SS energy: 0.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -312.364741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.364741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.516195 (E_RNA)
where:
Base-Base interactions energy: -222.574
where: short stacking energy: -76.361
Base-Backbone interact. energy: -0.595
local terms energy: -89.347328
where:
bonds (distance) C4'-P energy: -18.530
bonds (distance) P-C4' energy: -19.127
flat angles C4'-P-C4' energy: -19.910
flat angles P-C4'-P energy: -13.967
tors. eta vs tors. theta energy: -17.815
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: 6, replica: 5
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -277.413822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.413822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.142819 (E_RNA)
where:
Base-Base interactions energy: -186.153
where: short stacking energy: -79.409
Base-Backbone interact. energy: -0.054
local terms energy: -91.935819
where:
bonds (distance) C4'-P energy: -23.278
bonds (distance) P-C4' energy: -19.245
flat angles C4'-P-C4' energy: -18.017
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -19.152
Dist. restrs. and SS energy: 0.729 (S_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: 462
Temperature: 1.200000
Total energy: -278.282991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.282991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.786430 (E_RNA)
where:
Base-Base interactions energy: -184.040
where: short stacking energy: -86.863
Base-Backbone interact. energy: -0.825
local terms energy: -95.922093
where:
bonds (distance) C4'-P energy: -22.232
bonds (distance) P-C4' energy: -17.400
flat angles C4'-P-C4' energy: -19.611
flat angles P-C4'-P energy: -14.699
tors. eta vs tors. theta energy: -21.981
Dist. restrs. and SS energy: 2.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -267.243507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.243507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.376762 (E_RNA)
where:
Base-Base interactions energy: -174.872
where: short stacking energy: -79.461
Base-Backbone interact. energy: -1.438
local terms energy: -97.067173
where:
bonds (distance) C4'-P energy: -21.841
bonds (distance) P-C4' energy: -22.778
flat angles C4'-P-C4' energy: -22.821
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -17.499
Dist. restrs. and SS energy: 6.133 (S_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: 462
Temperature: 1.300000
Total energy: -234.213292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.213292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.480673 (E_RNA)
where:
Base-Base interactions energy: -155.685
where: short stacking energy: -66.154
Base-Backbone interact. energy: -1.333
local terms energy: -78.463209
where:
bonds (distance) C4'-P energy: -22.966
bonds (distance) P-C4' energy: -23.408
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -11.157
Dist. restrs. and SS energy: 1.267 (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: 8
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -201.674078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.674078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.271427 (E_RNA)
where:
Base-Base interactions energy: -133.170
where: short stacking energy: -44.776
Base-Backbone interact. energy: -1.681
local terms energy: -67.419833
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -8.969
flat angles P-C4'-P energy: -16.286
tors. eta vs tors. theta energy: -7.343
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: 1, replica: 6
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -368.446915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.446915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.743458 (E_RNA)
where:
Base-Base interactions energy: -255.991
where: short stacking energy: -95.184
Base-Backbone interact. energy: -1.037
local terms energy: -111.715474
where:
bonds (distance) C4'-P energy: -21.023
bonds (distance) P-C4' energy: -21.952
flat angles C4'-P-C4' energy: -24.064
flat angles P-C4'-P energy: -16.583
tors. eta vs tors. theta energy: -28.093
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: 2
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -358.152495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.152495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.595468 (E_RNA)
where:
Base-Base interactions energy: -243.087
where: short stacking energy: -105.043
Base-Backbone interact. energy: -0.555
local terms energy: -115.953705
where:
bonds (distance) C4'-P energy: -22.405
bonds (distance) P-C4' energy: -21.167
flat angles C4'-P-C4' energy: -22.633
flat angles P-C4'-P energy: -19.282
tors. eta vs tors. theta energy: -30.467
Dist. restrs. and SS energy: 1.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -337.387204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.387204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.071031 (E_RNA)
where:
Base-Base interactions energy: -230.334
where: short stacking energy: -91.443
Base-Backbone interact. energy: -1.043
local terms energy: -107.693632
where:
bonds (distance) C4'-P energy: -21.249
bonds (distance) P-C4' energy: -22.940
flat angles C4'-P-C4' energy: -23.303
flat angles P-C4'-P energy: -18.976
tors. eta vs tors. theta energy: -21.226
Dist. restrs. and SS energy: 1.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -328.846895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.846895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.967567 (E_RNA)
where:
Base-Base interactions energy: -220.911
where: short stacking energy: -87.339
Base-Backbone interact. energy: -1.188
local terms energy: -106.868423
where:
bonds (distance) C4'-P energy: -20.615
bonds (distance) P-C4' energy: -21.702
flat angles C4'-P-C4' energy: -25.002
flat angles P-C4'-P energy: -15.413
tors. eta vs tors. theta energy: -24.136
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: 5, replica: 1
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -339.131880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.131880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.851461 (E_RNA)
where:
Base-Base interactions energy: -238.390
where: short stacking energy: -95.141
Base-Backbone interact. energy: 0.496
local terms energy: -101.957759
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -23.540
flat angles C4'-P-C4' energy: -19.065
flat angles P-C4'-P energy: -13.544
tors. eta vs tors. theta energy: -29.119
Dist. restrs. and SS energy: 0.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -276.760956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.760956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.371322 (E_RNA)
where:
Base-Base interactions energy: -198.184
where: short stacking energy: -73.187
Base-Backbone interact. energy: -0.141
local terms energy: -79.046830
where:
bonds (distance) C4'-P energy: -8.740
bonds (distance) P-C4' energy: -20.598
flat angles C4'-P-C4' energy: -18.927
flat angles P-C4'-P energy: -16.461
tors. eta vs tors. theta energy: -14.322
Dist. restrs. and SS energy: 0.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -263.715270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.715270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.588542 (E_RNA)
where:
Base-Base interactions energy: -166.783
where: short stacking energy: -72.824
Base-Backbone interact. energy: -0.790
local terms energy: -99.014640
where:
bonds (distance) C4'-P energy: -18.554
bonds (distance) P-C4' energy: -18.854
flat angles C4'-P-C4' energy: -22.685
flat angles P-C4'-P energy: -14.785
tors. eta vs tors. theta energy: -24.137
Dist. restrs. and SS energy: 2.873 (S_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: 463
Temperature: 1.250000
Total energy: -216.308205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.308205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.157660 (E_RNA)
where:
Base-Base interactions energy: -139.457
where: short stacking energy: -61.969
Base-Backbone interact. energy: -0.627
local terms energy: -81.073523
where:
bonds (distance) C4'-P energy: -22.928
bonds (distance) P-C4' energy: -22.766
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -9.707
Dist. restrs. and SS energy: 4.849 (S_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: 463
Temperature: 1.300000
Total energy: -244.760994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.760994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.750859 (E_RNA)
where:
Base-Base interactions energy: -163.367
where: short stacking energy: -66.326
Base-Backbone interact. energy: -0.196
local terms energy: -84.188430
where:
bonds (distance) C4'-P energy: -17.428
bonds (distance) P-C4' energy: -23.685
flat angles C4'-P-C4' energy: -19.001
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: -15.856
Dist. restrs. and SS energy: 2.990 (S_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: 463
Temperature: 1.350000
Total energy: -194.056120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.056120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.581376 (E_RNA)
where:
Base-Base interactions energy: -133.300
where: short stacking energy: -45.836
Base-Backbone interact. energy: 2.323
local terms energy: -63.604402
where:
bonds (distance) C4'-P energy: -8.595
bonds (distance) P-C4' energy: -21.085
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -7.119
tors. eta vs tors. theta energy: -9.816
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: 1, replica: 2
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -376.324756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.324756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.188308 (E_RNA)
where:
Base-Base interactions energy: -261.485
where: short stacking energy: -91.103
Base-Backbone interact. energy: -0.492
local terms energy: -116.211120
where:
bonds (distance) C4'-P energy: -22.282
bonds (distance) P-C4' energy: -25.465
flat angles C4'-P-C4' energy: -25.984
flat angles P-C4'-P energy: -15.079
tors. eta vs tors. theta energy: -27.403
Dist. restrs. and SS energy: 1.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -373.832889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.832889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.013720 (E_RNA)
where:
Base-Base interactions energy: -259.200
where: short stacking energy: -106.201
Base-Backbone interact. energy: -1.646
local terms energy: -114.167264
where:
bonds (distance) C4'-P energy: -20.206
bonds (distance) P-C4' energy: -23.663
flat angles C4'-P-C4' energy: -26.992
flat angles P-C4'-P energy: -16.563
tors. eta vs tors. theta energy: -26.743
Dist. restrs. and SS energy: 1.181 (S_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: 464
Temperature: 1.000000
Total energy: -345.148417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.148417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.988056 (E_RNA)
where:
Base-Base interactions energy: -252.551
where: short stacking energy: -95.324
Base-Backbone interact. energy: -0.448
local terms energy: -92.989051
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -22.204
flat angles P-C4'-P energy: -15.346
tors. eta vs tors. theta energy: -22.506
Dist. restrs. and SS energy: 0.840 (S_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: 464
Temperature: 1.050000
Total energy: -319.656231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.656231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.110570 (E_RNA)
where:
Base-Base interactions energy: -220.891
where: short stacking energy: -91.416
Base-Backbone interact. energy: -0.143
local terms energy: -99.076304
where:
bonds (distance) C4'-P energy: -17.925
bonds (distance) P-C4' energy: -21.158
flat angles C4'-P-C4' energy: -23.509
flat angles P-C4'-P energy: -14.073
tors. eta vs tors. theta energy: -22.411
Dist. restrs. and SS energy: 0.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -349.921814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.921814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.396027 (E_RNA)
where:
Base-Base interactions energy: -257.643
where: short stacking energy: -104.173
Base-Backbone interact. energy: -0.501
local terms energy: -93.251809
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -21.207
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: -29.543
Dist. restrs. and SS energy: 1.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -301.456555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.456555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.633550 (E_RNA)
where:
Base-Base interactions energy: -202.991
where: short stacking energy: -80.490
Base-Backbone interact. energy: -0.633
local terms energy: -98.009309
where:
bonds (distance) C4'-P energy: -17.671
bonds (distance) P-C4' energy: -25.208
flat angles C4'-P-C4' energy: -22.076
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -20.006
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: 7, replica: 5
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -275.488771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.488771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.063208 (E_RNA)
where:
Base-Base interactions energy: -182.792
where: short stacking energy: -76.848
Base-Backbone interact. energy: -0.040
local terms energy: -94.231188
where:
bonds (distance) C4'-P energy: -23.093
bonds (distance) P-C4' energy: -23.442
flat angles C4'-P-C4' energy: -20.558
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -15.648
Dist. restrs. and SS energy: 1.574 (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: 10
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -217.639157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.639157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.435863 (E_RNA)
where:
Base-Base interactions energy: -139.475
where: short stacking energy: -57.681
Base-Backbone interact. energy: -1.404
local terms energy: -78.557598
where:
bonds (distance) C4'-P energy: -21.974
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -7.966
Dist. restrs. and SS energy: 1.797 (S_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: 464
Temperature: 1.300000
Total energy: -259.451044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.451044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.518621 (E_RNA)
where:
Base-Base interactions energy: -169.067
where: short stacking energy: -75.678
Base-Backbone interact. energy: 0.622
local terms energy: -95.073710
where:
bonds (distance) C4'-P energy: -20.950
bonds (distance) P-C4' energy: -18.260
flat angles C4'-P-C4' energy: -21.804
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -24.868
Dist. restrs. and SS energy: 4.068 (S_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: 464
Temperature: 1.350000
Total energy: -238.887469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.887469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.216421 (E_RNA)
where:
Base-Base interactions energy: -161.628
where: short stacking energy: -61.620
Base-Backbone interact. energy: 0.797
local terms energy: -80.385471
where:
bonds (distance) C4'-P energy: -20.463
bonds (distance) P-C4' energy: -17.723
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -16.087
tors. eta vs tors. theta energy: -11.711
Dist. restrs. and SS energy: 2.329 (S_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: 465
Temperature: 0.900000
Total energy: -378.349613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.349613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.702957 (E_RNA)
where:
Base-Base interactions energy: -267.644
where: short stacking energy: -98.799
Base-Backbone interact. energy: -1.041
local terms energy: -111.017845
where:
bonds (distance) C4'-P energy: -18.709
bonds (distance) P-C4' energy: -25.382
flat angles C4'-P-C4' energy: -25.645
flat angles P-C4'-P energy: -16.635
tors. eta vs tors. theta energy: -24.648
Dist. restrs. and SS energy: 1.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -363.070781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.070781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.202504 (E_RNA)
where:
Base-Base interactions energy: -248.546
where: short stacking energy: -96.335
Base-Backbone interact. energy: 3.005
local terms energy: -118.661912
where:
bonds (distance) C4'-P energy: -25.198
bonds (distance) P-C4' energy: -24.505
flat angles C4'-P-C4' energy: -26.167
flat angles P-C4'-P energy: -19.718
tors. eta vs tors. theta energy: -23.073
Dist. restrs. and SS energy: 1.132 (S_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: 465
Temperature: 1.000000
Total energy: -340.690956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.690956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.542668 (E_RNA)
where:
Base-Base interactions energy: -239.461
where: short stacking energy: -93.902
Base-Backbone interact. energy: 0.844
local terms energy: -102.925818
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -19.474
flat angles C4'-P-C4' energy: -23.087
flat angles P-C4'-P energy: -17.956
tors. eta vs tors. theta energy: -27.716
Dist. restrs. and SS energy: 0.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -338.219621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.219621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.181607 (E_RNA)
where:
Base-Base interactions energy: -238.216
where: short stacking energy: -94.282
Base-Backbone interact. energy: -0.353
local terms energy: -100.613348
where:
bonds (distance) C4'-P energy: -20.310
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -20.557
flat angles P-C4'-P energy: -16.923
tors. eta vs tors. theta energy: -22.468
Dist. restrs. and SS energy: 0.962 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -317.509981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.509981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.174625 (E_RNA)
where:
Base-Base interactions energy: -215.329
where: short stacking energy: -89.796
Base-Backbone interact. energy: -0.253
local terms energy: -104.592774
where:
bonds (distance) C4'-P energy: -20.652
bonds (distance) P-C4' energy: -24.025
flat angles C4'-P-C4' energy: -25.820
flat angles P-C4'-P energy: -13.576
tors. eta vs tors. theta energy: -20.519
Dist. restrs. and SS energy: 2.665 (S_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: 465
Temperature: 1.150000
Total energy: -285.121732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.121732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.402874 (E_RNA)
where:
Base-Base interactions energy: -194.026
where: short stacking energy: -72.929
Base-Backbone interact. energy: -0.372
local terms energy: -92.004917
where:
bonds (distance) C4'-P energy: -18.143
bonds (distance) P-C4' energy: -18.485
flat angles C4'-P-C4' energy: -21.342
flat angles P-C4'-P energy: -15.996
tors. eta vs tors. theta energy: -18.039
Dist. restrs. and SS energy: 1.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -296.220301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.220301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.328826 (E_RNA)
where:
Base-Base interactions energy: -199.261
where: short stacking energy: -83.091
Base-Backbone interact. energy: 0.203
local terms energy: -97.271593
where:
bonds (distance) C4'-P energy: -20.687
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -23.435
flat angles P-C4'-P energy: -19.097
tors. eta vs tors. theta energy: -18.601
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: 8, replica: 7
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -243.344463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.344463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.924741 (E_RNA)
where:
Base-Base interactions energy: -159.432
where: short stacking energy: -67.157
Base-Backbone interact. energy: -0.387
local terms energy: -85.106356
where:
bonds (distance) C4'-P energy: -23.314
bonds (distance) P-C4' energy: -21.030
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -14.554
Dist. restrs. and SS energy: 1.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -209.180767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.180767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.874268 (E_RNA)
where:
Base-Base interactions energy: -141.687
where: short stacking energy: -63.409
Base-Backbone interact. energy: 1.638
local terms energy: -79.825457
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -20.081
flat angles C4'-P-C4' energy: -21.887
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -11.860
Dist. restrs. and SS energy: 10.694 (S_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: 465
Temperature: 1.350000
Total energy: -235.943104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.943104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.957331 (E_RNA)
where:
Base-Base interactions energy: -171.727
where: short stacking energy: -59.073
Base-Backbone interact. energy: -0.075
local terms energy: -65.155215
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -18.407
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -8.441
Dist. restrs. and SS energy: 1.014 (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: 466
Temperature: 0.900000
Total energy: -369.491278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.491278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.996009 (E_RNA)
where:
Base-Base interactions energy: -258.090
where: short stacking energy: -103.334
Base-Backbone interact. energy: -1.096
local terms energy: -111.810121
where:
bonds (distance) C4'-P energy: -20.256
bonds (distance) P-C4' energy: -25.868
flat angles C4'-P-C4' energy: -21.957
flat angles P-C4'-P energy: -17.436
tors. eta vs tors. theta energy: -26.294
Dist. restrs. and SS energy: 1.505 (S_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: 466
Temperature: 0.950000
Total energy: -367.852271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.852271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.704269 (E_RNA)
where:
Base-Base interactions energy: -259.752
where: short stacking energy: -83.619
Base-Backbone interact. energy: -1.454
local terms energy: -107.498971
where:
bonds (distance) C4'-P energy: -21.385
bonds (distance) P-C4' energy: -22.223
flat angles C4'-P-C4' energy: -22.049
flat angles P-C4'-P energy: -14.822
tors. eta vs tors. theta energy: -27.020
Dist. restrs. and SS energy: 0.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -357.398546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.398546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.263185 (E_RNA)
where:
Base-Base interactions energy: -247.809
where: short stacking energy: -100.056
Base-Backbone interact. energy: -0.932
local terms energy: -110.521992
where:
bonds (distance) C4'-P energy: -17.623
bonds (distance) P-C4' energy: -22.965
flat angles C4'-P-C4' energy: -23.646
flat angles P-C4'-P energy: -17.008
tors. eta vs tors. theta energy: -29.279
Dist. restrs. and SS energy: 1.865 (S_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: 466
Temperature: 1.050000
Total energy: -318.857192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.857192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.857430 (E_RNA)
where:
Base-Base interactions energy: -212.683
where: short stacking energy: -91.626
Base-Backbone interact. energy: -0.540
local terms energy: -109.634747
where:
bonds (distance) C4'-P energy: -20.802
bonds (distance) P-C4' energy: -24.563
flat angles C4'-P-C4' energy: -19.700
flat angles P-C4'-P energy: -18.223
tors. eta vs tors. theta energy: -26.346
Dist. restrs. and SS energy: 4.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -270.351599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.351599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.323756 (E_RNA)
where:
Base-Base interactions energy: -179.023
where: short stacking energy: -68.536
Base-Backbone interact. energy: -1.382
local terms energy: -91.918744
where:
bonds (distance) C4'-P energy: -19.001
bonds (distance) P-C4' energy: -24.431
flat angles C4'-P-C4' energy: -21.319
flat angles P-C4'-P energy: -17.020
tors. eta vs tors. theta energy: -10.147
Dist. restrs. and SS energy: 1.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -304.770253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.770253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.663252 (E_RNA)
where:
Base-Base interactions energy: -211.587
where: short stacking energy: -85.612
Base-Backbone interact. energy: -0.067
local terms energy: -94.009511
where:
bonds (distance) C4'-P energy: -21.093
bonds (distance) P-C4' energy: -24.306
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -19.520
Dist. restrs. and SS energy: 0.893 (S_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: 466
Temperature: 1.200000
Total energy: -312.933440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.933440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.390192 (E_RNA)
where:
Base-Base interactions energy: -212.147
where: short stacking energy: -87.217
Base-Backbone interact. energy: -1.150
local terms energy: -101.093182
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -21.678
flat angles C4'-P-C4' energy: -18.306
flat angles P-C4'-P energy: -15.831
tors. eta vs tors. theta energy: -26.874
Dist. restrs. and SS energy: 1.457 (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: 7
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -264.899429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.899429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.055418 (E_RNA)
where:
Base-Base interactions energy: -180.431
where: short stacking energy: -70.973
Base-Backbone interact. energy: -0.186
local terms energy: -87.439070
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -23.884
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -15.397
Dist. restrs. and SS energy: 3.156 (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: 8
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -214.037429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.037429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.165133 (E_RNA)
where:
Base-Base interactions energy: -128.058
where: short stacking energy: -66.643
Base-Backbone interact. energy: 1.324
local terms energy: -92.430904
where:
bonds (distance) C4'-P energy: -22.973
bonds (distance) P-C4' energy: -22.017
flat angles C4'-P-C4' energy: -20.176
flat angles P-C4'-P energy: -14.809
tors. eta vs tors. theta energy: -12.456
Dist. restrs. and SS energy: 5.128 (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: 466
Temperature: 1.350000
Total energy: -195.292409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.292409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.743011 (E_RNA)
where:
Base-Base interactions energy: -118.535
where: short stacking energy: -39.270
Base-Backbone interact. energy: -0.103
local terms energy: -79.104694
where:
bonds (distance) C4'-P energy: -22.647
bonds (distance) P-C4' energy: -16.165
flat angles C4'-P-C4' energy: -22.892
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -4.962
Dist. restrs. and SS energy: 2.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -362.964748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.964748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.995780 (E_RNA)
where:
Base-Base interactions energy: -241.359
where: short stacking energy: -95.458
Base-Backbone interact. energy: -0.731
local terms energy: -121.905109
where:
bonds (distance) C4'-P energy: -23.203
bonds (distance) P-C4' energy: -23.418
flat angles C4'-P-C4' energy: -27.405
flat angles P-C4'-P energy: -18.909
tors. eta vs tors. theta energy: -28.971
Dist. restrs. and SS energy: 1.031 (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: 2
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -360.852777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.852777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.949389 (E_RNA)
where:
Base-Base interactions energy: -253.991
where: short stacking energy: -99.262
Base-Backbone interact. energy: -0.552
local terms energy: -106.406432
where:
bonds (distance) C4'-P energy: -22.375
bonds (distance) P-C4' energy: -23.330
flat angles C4'-P-C4' energy: -22.517
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -28.408
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: 1
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -349.638269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.638269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.854830 (E_RNA)
where:
Base-Base interactions energy: -260.730
where: short stacking energy: -101.397
Base-Backbone interact. energy: 2.492
local terms energy: -92.617324
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -19.834
flat angles C4'-P-C4' energy: -18.380
flat angles P-C4'-P energy: -16.128
tors. eta vs tors. theta energy: -23.811
Dist. restrs. and SS energy: 1.217 (S_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: 467
Temperature: 1.050000
Total energy: -321.366128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.366128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.236966 (E_RNA)
where:
Base-Base interactions energy: -213.906
where: short stacking energy: -86.482
Base-Backbone interact. energy: -0.467
local terms energy: -107.863613
where:
bonds (distance) C4'-P energy: -25.183
bonds (distance) P-C4' energy: -24.530
flat angles C4'-P-C4' energy: -21.870
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -23.858
Dist. restrs. and SS energy: 0.871 (S_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: -338.305562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.305562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.448315 (E_RNA)
where:
Base-Base interactions energy: -236.274
where: short stacking energy: -96.244
Base-Backbone interact. energy: -0.642
local terms energy: -102.532161
where:
bonds (distance) C4'-P energy: -18.641
bonds (distance) P-C4' energy: -22.834
flat angles C4'-P-C4' energy: -19.413
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: -26.122
Dist. restrs. and SS energy: 1.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -305.250823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.250823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.999129 (E_RNA)
where:
Base-Base interactions energy: -208.472
where: short stacking energy: -81.094
Base-Backbone interact. energy: -1.381
local terms energy: -99.146421
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -23.469
flat angles C4'-P-C4' energy: -21.783
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -25.104
Dist. restrs. and SS energy: 3.748 (S_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: 467
Temperature: 1.200000
Total energy: -253.118944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.118944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.880360 (E_RNA)
where:
Base-Base interactions energy: -176.059
where: short stacking energy: -78.359
Base-Backbone interact. energy: -0.268
local terms energy: -85.553173
where:
bonds (distance) C4'-P energy: -20.964
bonds (distance) P-C4' energy: -19.698
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -18.801
Dist. restrs. and SS energy: 8.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -248.301416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.301416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.166818 (E_RNA)
where:
Base-Base interactions energy: -169.066
where: short stacking energy: -68.798
Base-Backbone interact. energy: -0.128
local terms energy: -83.973599
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -22.945
flat angles P-C4'-P energy: -14.392
tors. eta vs tors. theta energy: -13.190
Dist. restrs. and SS energy: 4.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -214.327564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.327564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.260908 (E_RNA)
where:
Base-Base interactions energy: -127.236
where: short stacking energy: -65.028
Base-Backbone interact. energy: -0.293
local terms energy: -88.731635
where:
bonds (distance) C4'-P energy: -22.903
bonds (distance) P-C4' energy: -23.405
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -17.218
tors. eta vs tors. theta energy: -9.805
Dist. restrs. and SS energy: 1.933 (S_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: -199.262812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.262812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.913090 (E_RNA)
where:
Base-Base interactions energy: -134.915
where: short stacking energy: -42.584
Base-Backbone interact. energy: -0.268
local terms energy: -67.730539
where:
bonds (distance) C4'-P energy: -20.748
bonds (distance) P-C4' energy: -19.295
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -3.727
Dist. restrs. and SS energy: 3.650 (S_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: 468
Temperature: 0.900000
Total energy: -367.621743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.621743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.470867 (E_RNA)
where:
Base-Base interactions energy: -261.217
where: short stacking energy: -101.944
Base-Backbone interact. energy: -1.012
local terms energy: -107.241172
where:
bonds (distance) C4'-P energy: -20.171
bonds (distance) P-C4' energy: -22.577
flat angles C4'-P-C4' energy: -24.576
flat angles P-C4'-P energy: -13.981
tors. eta vs tors. theta energy: -25.937
Dist. restrs. and SS energy: 1.849 (S_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: -358.387206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.387206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.584488 (E_RNA)
where:
Base-Base interactions energy: -256.261
where: short stacking energy: -84.901
Base-Backbone interact. energy: -0.623
local terms energy: -102.701193
where:
bonds (distance) C4'-P energy: -19.134
bonds (distance) P-C4' energy: -21.657
flat angles C4'-P-C4' energy: -19.599
flat angles P-C4'-P energy: -14.843
tors. eta vs tors. theta energy: -27.467
Dist. restrs. and SS energy: 1.197 (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: 1
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -349.574797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.574797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.700942 (E_RNA)
where:
Base-Base interactions energy: -247.121
where: short stacking energy: -87.408
Base-Backbone interact. energy: 0.544
local terms energy: -103.123621
where:
bonds (distance) C4'-P energy: -11.045
bonds (distance) P-C4' energy: -24.816
flat angles C4'-P-C4' energy: -24.603
flat angles P-C4'-P energy: -16.901
tors. eta vs tors. theta energy: -25.759
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: 4, replica: 5
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -319.968655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.968655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.105289 (E_RNA)
where:
Base-Base interactions energy: -228.765
where: short stacking energy: -86.246
Base-Backbone interact. energy: -1.681
local terms energy: -90.659320
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -23.456
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -24.506
Dist. restrs. and SS energy: 1.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -328.975752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.975752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.970861 (E_RNA)
where:
Base-Base interactions energy: -222.108
where: short stacking energy: -89.166
Base-Backbone interact. energy: -0.402
local terms energy: -107.460119
where:
bonds (distance) C4'-P energy: -20.488
bonds (distance) P-C4' energy: -25.926
flat angles C4'-P-C4' energy: -20.116
flat angles P-C4'-P energy: -17.532
tors. eta vs tors. theta energy: -23.398
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: 6, replica: 3
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -292.277126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.277126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.261064 (E_RNA)
where:
Base-Base interactions energy: -198.677
where: short stacking energy: -69.364
Base-Backbone interact. energy: -1.007
local terms energy: -93.576525
where:
bonds (distance) C4'-P energy: -19.097
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -22.247
flat angles P-C4'-P energy: -15.790
tors. eta vs tors. theta energy: -18.036
Dist. restrs. and SS energy: 0.984 (S_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: 468
Temperature: 1.200000
Total energy: -299.495538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.495538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.971287 (E_RNA)
where:
Base-Base interactions energy: -215.168
where: short stacking energy: -78.900
Base-Backbone interact. energy: -0.944
local terms energy: -83.859337
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -21.396
flat angles C4'-P-C4' energy: -20.143
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -14.803
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: 8, replica: 7
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -265.808318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.808318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.189343 (E_RNA)
where:
Base-Base interactions energy: -176.929
where: short stacking energy: -80.026
Base-Backbone interact. energy: -0.318
local terms energy: -89.941786
where:
bonds (distance) C4'-P energy: -20.741
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -23.037
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -17.746
Dist. restrs. and SS energy: 1.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -199.881802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.881802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.454381 (E_RNA)
where:
Base-Base interactions energy: -124.877
where: short stacking energy: -45.425
Base-Backbone interact. energy: -0.397
local terms energy: -79.180001
where:
bonds (distance) C4'-P energy: -18.778
bonds (distance) P-C4' energy: -23.651
flat angles C4'-P-C4' energy: -20.145
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -4.814
Dist. restrs. and SS energy: 4.573 (S_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: -203.248739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.248739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.531208 (E_RNA)
where:
Base-Base interactions energy: -131.693
where: short stacking energy: -51.770
Base-Backbone interact. energy: -0.327
local terms energy: -73.510635
where:
bonds (distance) C4'-P energy: -21.493
bonds (distance) P-C4' energy: -26.138
flat angles C4'-P-C4' energy: -18.958
flat angles P-C4'-P energy: 0.802
tors. eta vs tors. theta energy: -7.723
Dist. restrs. and SS energy: 2.282 (S_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: 469
Temperature: 0.900000
Total energy: -368.858944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.858944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.458909 (E_RNA)
where:
Base-Base interactions energy: -258.370
where: short stacking energy: -101.717
Base-Backbone interact. energy: -1.627
local terms energy: -110.461894
where:
bonds (distance) C4'-P energy: -17.851
bonds (distance) P-C4' energy: -23.202
flat angles C4'-P-C4' energy: -21.578
flat angles P-C4'-P energy: -18.164
tors. eta vs tors. theta energy: -29.667
Dist. restrs. and SS energy: 1.600 (S_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: 469
Temperature: 0.950000
Total energy: -358.043788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.043788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.012895 (E_RNA)
where:
Base-Base interactions energy: -257.122
where: short stacking energy: -84.480
Base-Backbone interact. energy: -2.061
local terms energy: -99.830247
where:
bonds (distance) C4'-P energy: -19.014
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -20.672
flat angles P-C4'-P energy: -15.348
tors. eta vs tors. theta energy: -27.791
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: 3, replica: 1
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -352.772266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.772266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.492064 (E_RNA)
where:
Base-Base interactions energy: -246.139
where: short stacking energy: -99.242
Base-Backbone interact. energy: -0.372
local terms energy: -107.981201
where:
bonds (distance) C4'-P energy: -20.905
bonds (distance) P-C4' energy: -24.433
flat angles C4'-P-C4' energy: -24.175
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -29.786
Dist. restrs. and SS energy: 1.720 (S_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: 469
Temperature: 1.050000
Total energy: -337.906984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.906984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.588490 (E_RNA)
where:
Base-Base interactions energy: -247.172
where: short stacking energy: -95.913
Base-Backbone interact. energy: -1.581
local terms energy: -90.835166
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -16.355
flat angles C4'-P-C4' energy: -20.284
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -28.531
Dist. restrs. and SS energy: 1.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -320.884256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.884256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.924184 (E_RNA)
where:
Base-Base interactions energy: -222.616
where: short stacking energy: -84.952
Base-Backbone interact. energy: -0.876
local terms energy: -97.432706
where:
bonds (distance) C4'-P energy: -20.557
bonds (distance) P-C4' energy: -21.676
flat angles C4'-P-C4' energy: -23.391
flat angles P-C4'-P energy: -14.360
tors. eta vs tors. theta energy: -17.448
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: 469
Temperature: 1.150000
Total energy: -286.986508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.986508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.855695 (E_RNA)
where:
Base-Base interactions energy: -199.358
where: short stacking energy: -77.913
Base-Backbone interact. energy: -1.786
local terms energy: -86.711505
where:
bonds (distance) C4'-P energy: -19.382
bonds (distance) P-C4' energy: -18.982
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: -20.134
Dist. restrs. and SS energy: 0.869 (S_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: 469
Temperature: 1.200000
Total energy: -289.627176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.627176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.538226 (E_RNA)
where:
Base-Base interactions energy: -196.407
where: short stacking energy: -79.136
Base-Backbone interact. energy: 0.370
local terms energy: -94.500490
where:
bonds (distance) C4'-P energy: -22.038
bonds (distance) P-C4' energy: -20.784
flat angles C4'-P-C4' energy: -19.972
flat angles P-C4'-P energy: -14.894
tors. eta vs tors. theta energy: -16.812
Dist. restrs. and SS energy: 0.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -261.530048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.530048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.557970 (E_RNA)
where:
Base-Base interactions energy: -174.431
where: short stacking energy: -70.280
Base-Backbone interact. energy: 4.061
local terms energy: -93.187959
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -22.183
flat angles C4'-P-C4' energy: -22.008
flat angles P-C4'-P energy: -15.760
tors. eta vs tors. theta energy: -16.303
Dist. restrs. and SS energy: 2.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -219.829200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.829200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.347789 (E_RNA)
where:
Base-Base interactions energy: -139.865
where: short stacking energy: -60.113
Base-Backbone interact. energy: -0.275
local terms energy: -85.207694
where:
bonds (distance) C4'-P energy: -23.465
bonds (distance) P-C4' energy: -18.987
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -14.837
tors. eta vs tors. theta energy: -10.553
Dist. restrs. and SS energy: 5.519 (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: 10
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -193.706038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.706038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.901490 (E_RNA)
where:
Base-Base interactions energy: -120.399
where: short stacking energy: -58.338
Base-Backbone interact. energy: -0.895
local terms energy: -84.607507
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -23.558
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -18.359
Dist. restrs. and SS energy: 12.195 (S_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: 470
Temperature: 0.900000
Total energy: -361.807148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.807148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.350234 (E_RNA)
where:
Base-Base interactions energy: -249.824
where: short stacking energy: -98.361
Base-Backbone interact. energy: -0.932
local terms energy: -112.593632
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -27.144
flat angles C4'-P-C4' energy: -23.118
flat angles P-C4'-P energy: -19.877
tors. eta vs tors. theta energy: -26.321
Dist. restrs. and SS energy: 1.543 (S_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: 470
Temperature: 0.950000
Total energy: -356.785952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.785952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.227368 (E_RNA)
where:
Base-Base interactions energy: -258.160
where: short stacking energy: -99.087
Base-Backbone interact. energy: -0.769
local terms energy: -99.298683
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -22.224
flat angles C4'-P-C4' energy: -22.901
flat angles P-C4'-P energy: -14.080
tors. eta vs tors. theta energy: -25.792
Dist. restrs. and SS energy: 1.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -353.905690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.905690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.661272 (E_RNA)
where:
Base-Base interactions energy: -242.542
where: short stacking energy: -97.152
Base-Backbone interact. energy: -1.002
local terms energy: -112.117643
where:
bonds (distance) C4'-P energy: -15.781
bonds (distance) P-C4' energy: -20.504
flat angles C4'-P-C4' energy: -25.455
flat angles P-C4'-P energy: -17.785
tors. eta vs tors. theta energy: -32.592
Dist. restrs. and SS energy: 1.756 (S_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: 470
Temperature: 1.050000
Total energy: -328.293356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.293356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.727559 (E_RNA)
where:
Base-Base interactions energy: -231.955
where: short stacking energy: -82.257
Base-Backbone interact. energy: -0.478
local terms energy: -97.293891
where:
bonds (distance) C4'-P energy: -22.414
bonds (distance) P-C4' energy: -24.208
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -15.162
tors. eta vs tors. theta energy: -20.367
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: 5, replica: 5
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -305.577146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.577146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.932927 (E_RNA)
where:
Base-Base interactions energy: -207.634
where: short stacking energy: -73.598
Base-Backbone interact. energy: -0.363
local terms energy: -97.935996
where:
bonds (distance) C4'-P energy: -26.193
bonds (distance) P-C4' energy: -21.881
flat angles C4'-P-C4' energy: -22.209
flat angles P-C4'-P energy: -14.410
tors. eta vs tors. theta energy: -13.243
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: 4
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -290.692915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.692915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.928321 (E_RNA)
where:
Base-Base interactions energy: -196.455
where: short stacking energy: -82.581
Base-Backbone interact. energy: 0.495
local terms energy: -94.968851
where:
bonds (distance) C4'-P energy: -25.038
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -18.301
tors. eta vs tors. theta energy: -16.096
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: 7, replica: 3
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -311.934921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.934921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.968492 (E_RNA)
where:
Base-Base interactions energy: -201.685
where: short stacking energy: -91.491
Base-Backbone interact. energy: -1.486
local terms energy: -112.798027
where:
bonds (distance) C4'-P energy: -24.115
bonds (distance) P-C4' energy: -23.724
flat angles C4'-P-C4' energy: -25.412
flat angles P-C4'-P energy: -15.843
tors. eta vs tors. theta energy: -23.704
Dist. restrs. and SS energy: 4.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -246.622487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.622487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.998562 (E_RNA)
where:
Base-Base interactions energy: -168.272
where: short stacking energy: -75.590
Base-Backbone interact. energy: -0.080
local terms energy: -85.646964
where:
bonds (distance) C4'-P energy: -21.167
bonds (distance) P-C4' energy: -20.330
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -16.501
Dist. restrs. and SS energy: 7.376 (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: 10
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -204.321628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.321628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.253843 (E_RNA)
where:
Base-Base interactions energy: -139.060
where: short stacking energy: -62.110
Base-Backbone interact. energy: -0.480
local terms energy: -73.713173
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -10.083
Dist. restrs. and SS energy: 8.932 (S_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: 470
Temperature: 1.350000
Total energy: -208.105621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.105621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.199065 (E_RNA)
where:
Base-Base interactions energy: -131.347
where: short stacking energy: -59.895
Base-Backbone interact. energy: -0.261
local terms energy: -81.591271
where:
bonds (distance) C4'-P energy: -20.800
bonds (distance) P-C4' energy: -24.409
flat angles C4'-P-C4' energy: -19.493
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -8.430
Dist. restrs. and SS energy: 5.093 (S_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: 471
Temperature: 0.900000
Total energy: -369.614177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.614177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.278268 (E_RNA)
where:
Base-Base interactions energy: -257.253
where: short stacking energy: -105.954
Base-Backbone interact. energy: -0.171
local terms energy: -113.854797
where:
bonds (distance) C4'-P energy: -22.500
bonds (distance) P-C4' energy: -21.314
flat angles C4'-P-C4' energy: -22.183
flat angles P-C4'-P energy: -21.378
tors. eta vs tors. theta energy: -26.479
Dist. restrs. and SS energy: 1.664 (S_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: 471
Temperature: 0.950000
Total energy: -360.511134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.511134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.414838 (E_RNA)
where:
Base-Base interactions energy: -251.226
where: short stacking energy: -97.010
Base-Backbone interact. energy: -1.082
local terms energy: -109.107375
where:
bonds (distance) C4'-P energy: -20.885
bonds (distance) P-C4' energy: -23.617
flat angles C4'-P-C4' energy: -23.094
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -29.827
Dist. restrs. and SS energy: 0.904 (S_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: 471
Temperature: 1.000000
Total energy: -347.443079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.443079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.269795 (E_RNA)
where:
Base-Base interactions energy: -248.364
where: short stacking energy: -93.679
Base-Backbone interact. energy: 0.965
local terms energy: -101.870844
where:
bonds (distance) C4'-P energy: -24.105
bonds (distance) P-C4' energy: -18.969
flat angles C4'-P-C4' energy: -22.052
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -24.408
Dist. restrs. and SS energy: 1.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -339.421696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.421696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.628623 (E_RNA)
where:
Base-Base interactions energy: -237.970
where: short stacking energy: -89.810
Base-Backbone interact. energy: -1.127
local terms energy: -102.531958
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -20.952
flat angles C4'-P-C4' energy: -24.990
flat angles P-C4'-P energy: -15.707
tors. eta vs tors. theta energy: -25.748
Dist. restrs. and SS energy: 2.207 (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: 471
Temperature: 1.100000
Total energy: -298.671635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.671635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.183937 (E_RNA)
where:
Base-Base interactions energy: -197.395
where: short stacking energy: -85.273
Base-Backbone interact. energy: -0.219
local terms energy: -101.569429
where:
bonds (distance) C4'-P energy: -20.311
bonds (distance) P-C4' energy: -25.436
flat angles C4'-P-C4' energy: -22.488
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -20.788
Dist. restrs. and SS energy: 0.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -296.784621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.784621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.455844 (E_RNA)
where:
Base-Base interactions energy: -205.226
where: short stacking energy: -88.775
Base-Backbone interact. energy: -1.718
local terms energy: -93.511760
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -24.650
flat angles C4'-P-C4' energy: -18.848
flat angles P-C4'-P energy: -17.449
tors. eta vs tors. theta energy: -15.751
Dist. restrs. and SS energy: 3.671 (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: 4
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -284.906786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.906786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.602278 (E_RNA)
where:
Base-Base interactions energy: -196.942
where: short stacking energy: -74.258
Base-Backbone interact. energy: -0.097
local terms energy: -88.563200
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -19.412
flat angles C4'-P-C4' energy: -21.751
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -17.272
Dist. restrs. and SS energy: 0.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -278.930601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.930601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.958049 (E_RNA)
where:
Base-Base interactions energy: -185.662
where: short stacking energy: -69.507
Base-Backbone interact. energy: -1.183
local terms energy: -96.114007
where:
bonds (distance) C4'-P energy: -22.418
bonds (distance) P-C4' energy: -22.372
flat angles C4'-P-C4' energy: -20.045
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -17.966
Dist. restrs. and SS energy: 4.027 (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: 471
Temperature: 1.300000
Total energy: -229.787126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.787126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.220415 (E_RNA)
where:
Base-Base interactions energy: -154.706
where: short stacking energy: -50.464
Base-Backbone interact. energy: -0.363
local terms energy: -75.151368
where:
bonds (distance) C4'-P energy: -23.680
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -5.213
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: 10, replica: 8
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -231.938645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.938645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.705295 (E_RNA)
where:
Base-Base interactions energy: -155.920
where: short stacking energy: -52.956
Base-Backbone interact. energy: -1.758
local terms energy: -75.026527
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -19.200
flat angles C4'-P-C4' energy: -20.556
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -11.970
Dist. restrs. and SS energy: 0.767 (S_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: 472
Temperature: 0.900000
Total energy: -350.183534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.183534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.939936 (E_RNA)
where:
Base-Base interactions energy: -254.386
where: short stacking energy: -100.761
Base-Backbone interact. energy: -0.890
local terms energy: -95.664419
where:
bonds (distance) C4'-P energy: -23.953
bonds (distance) P-C4' energy: -18.768
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -23.140
Dist. restrs. and SS energy: 0.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -351.599494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.599494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.394442 (E_RNA)
where:
Base-Base interactions energy: -242.887
where: short stacking energy: -96.263
Base-Backbone interact. energy: -0.233
local terms energy: -109.274721
where:
bonds (distance) C4'-P energy: -20.744
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -23.776
flat angles P-C4'-P energy: -19.738
tors. eta vs tors. theta energy: -27.723
Dist. restrs. and SS energy: 0.795 (S_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: 472
Temperature: 1.000000
Total energy: -361.171295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.171295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.278021 (E_RNA)
where:
Base-Base interactions energy: -251.486
where: short stacking energy: -97.635
Base-Backbone interact. energy: -0.893
local terms energy: -109.898776
where:
bonds (distance) C4'-P energy: -21.887
bonds (distance) P-C4' energy: -24.060
flat angles C4'-P-C4' energy: -20.248
flat angles P-C4'-P energy: -13.623
tors. eta vs tors. theta energy: -30.081
Dist. restrs. and SS energy: 1.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -355.220511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.220511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.394728 (E_RNA)
where:
Base-Base interactions energy: -249.026
where: short stacking energy: -89.491
Base-Backbone interact. energy: -0.838
local terms energy: -106.530587
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -22.910
flat angles C4'-P-C4' energy: -25.338
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -27.878
Dist. restrs. and SS energy: 1.174 (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: 3
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -296.108869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.108869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.582991 (E_RNA)
where:
Base-Base interactions energy: -204.399
where: short stacking energy: -86.496
Base-Backbone interact. energy: -0.543
local terms energy: -91.640354
where:
bonds (distance) C4'-P energy: -25.683
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -18.869
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -16.825
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: 6, replica: 5
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -294.844321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.844321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.411722 (E_RNA)
where:
Base-Base interactions energy: -205.956
where: short stacking energy: -80.651
Base-Backbone interact. energy: 0.409
local terms energy: -89.863944
where:
bonds (distance) C4'-P energy: -21.668
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -16.327
tors. eta vs tors. theta energy: -18.132
Dist. restrs. and SS energy: 0.567 (S_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: 472
Temperature: 1.200000
Total energy: -294.941558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.941558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.753608 (E_RNA)
where:
Base-Base interactions energy: -209.401
where: short stacking energy: -84.760
Base-Backbone interact. energy: -0.647
local terms energy: -88.704959
where:
bonds (distance) C4'-P energy: -19.633
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -18.842
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -19.003
Dist. restrs. and SS energy: 3.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -269.555570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.555570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.048930 (E_RNA)
where:
Base-Base interactions energy: -184.028
where: short stacking energy: -75.868
Base-Backbone interact. energy: -0.190
local terms energy: -86.831056
where:
bonds (distance) C4'-P energy: -21.508
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -20.540
flat angles P-C4'-P energy: -16.049
tors. eta vs tors. theta energy: -13.218
Dist. restrs. and SS energy: 1.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -219.815242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.815242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.013516 (E_RNA)
where:
Base-Base interactions energy: -148.866
where: short stacking energy: -70.697
Base-Backbone interact. energy: 0.218
local terms energy: -76.364848
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -14.844
tors. eta vs tors. theta energy: -13.876
Dist. restrs. and SS energy: 5.198 (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: 10
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -241.240066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.240066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.203891 (E_RNA)
where:
Base-Base interactions energy: -170.937
where: short stacking energy: -76.343
Base-Backbone interact. energy: 0.230
local terms energy: -77.497046
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -14.322
tors. eta vs tors. theta energy: -12.714
Dist. restrs. and SS energy: 6.964 (S_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: 473
Temperature: 0.900000
Total energy: -363.335851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.335851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.757238 (E_RNA)
where:
Base-Base interactions energy: -259.649
where: short stacking energy: -89.924
Base-Backbone interact. energy: -0.419
local terms energy: -104.688718
where:
bonds (distance) C4'-P energy: -21.946
bonds (distance) P-C4' energy: -22.661
flat angles C4'-P-C4' energy: -22.020
flat angles P-C4'-P energy: -14.777
tors. eta vs tors. theta energy: -23.285
Dist. restrs. and SS energy: 1.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -370.196800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.196800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.269753 (E_RNA)
where:
Base-Base interactions energy: -257.445
where: short stacking energy: -99.643
Base-Backbone interact. energy: -0.269
local terms energy: -114.555393
where:
bonds (distance) C4'-P energy: -22.791
bonds (distance) P-C4' energy: -27.495
flat angles C4'-P-C4' energy: -18.965
flat angles P-C4'-P energy: -14.639
tors. eta vs tors. theta energy: -30.665
Dist. restrs. and SS energy: 2.073 (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: 473
Temperature: 1.000000
Total energy: -350.563061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.563061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.757853 (E_RNA)
where:
Base-Base interactions energy: -244.106
where: short stacking energy: -89.965
Base-Backbone interact. energy: -0.646
local terms energy: -107.005287
where:
bonds (distance) C4'-P energy: -23.286
bonds (distance) P-C4' energy: -24.281
flat angles C4'-P-C4' energy: -21.810
flat angles P-C4'-P energy: -16.234
tors. eta vs tors. theta energy: -21.394
Dist. restrs. and SS energy: 1.195 (S_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: 473
Temperature: 1.050000
Total energy: -337.346425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.346425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.407093 (E_RNA)
where:
Base-Base interactions energy: -234.000
where: short stacking energy: -91.917
Base-Backbone interact. energy: -0.904
local terms energy: -103.502934
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -20.099
flat angles C4'-P-C4' energy: -24.069
flat angles P-C4'-P energy: -18.895
tors. eta vs tors. theta energy: -24.214
Dist. restrs. and SS energy: 1.061 (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: 3
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -286.595448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.595448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.662106 (E_RNA)
where:
Base-Base interactions energy: -197.800
where: short stacking energy: -76.991
Base-Backbone interact. energy: -0.586
local terms energy: -88.275551
where:
bonds (distance) C4'-P energy: -17.750
bonds (distance) P-C4' energy: -26.128
flat angles C4'-P-C4' energy: -18.417
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -14.112
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: 5
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -292.418371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.418371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.418371 (E_RNA)
where:
Base-Base interactions energy: -203.567
where: short stacking energy: -88.200
Base-Backbone interact. energy: -0.695
local terms energy: -88.156189
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -19.146
flat angles C4'-P-C4' energy: -19.515
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -19.735
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: 7, replica: 7
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -283.227602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.227602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.620909 (E_RNA)
where:
Base-Base interactions energy: -187.517
where: short stacking energy: -78.033
Base-Backbone interact. energy: -1.039
local terms energy: -97.064610
where:
bonds (distance) C4'-P energy: -22.575
bonds (distance) P-C4' energy: -17.973
flat angles C4'-P-C4' energy: -18.845
flat angles P-C4'-P energy: -14.847
tors. eta vs tors. theta energy: -22.825
Dist. restrs. and SS energy: 2.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -267.732134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.732134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.576413 (E_RNA)
where:
Base-Base interactions energy: -187.283
where: short stacking energy: -72.996
Base-Backbone interact. energy: -0.914
local terms energy: -80.379289
where:
bonds (distance) C4'-P energy: -11.169
bonds (distance) P-C4' energy: -19.357
flat angles C4'-P-C4' energy: -19.931
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -18.062
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: 9, replica: 8
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -236.417109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.417109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.122440 (E_RNA)
where:
Base-Base interactions energy: -160.823
where: short stacking energy: -68.630
Base-Backbone interact. energy: 0.008
local terms energy: -78.307369
where:
bonds (distance) C4'-P energy: -18.576
bonds (distance) P-C4' energy: -16.913
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -15.494
tors. eta vs tors. theta energy: -9.989
Dist. restrs. and SS energy: 2.705 (S_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: 473
Temperature: 1.350000
Total energy: -229.416721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.416721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.393920 (E_RNA)
where:
Base-Base interactions energy: -146.626
where: short stacking energy: -49.813
Base-Backbone interact. energy: -0.227
local terms energy: -83.541462
where:
bonds (distance) C4'-P energy: -20.505
bonds (distance) P-C4' energy: -22.197
flat angles C4'-P-C4' energy: -20.564
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -9.594
Dist. restrs. and SS energy: 0.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -366.061658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.061658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.071193 (E_RNA)
where:
Base-Base interactions energy: -251.079
where: short stacking energy: -92.197
Base-Backbone interact. energy: -1.337
local terms energy: -115.655642
where:
bonds (distance) C4'-P energy: -20.840
bonds (distance) P-C4' energy: -23.541
flat angles C4'-P-C4' energy: -24.875
flat angles P-C4'-P energy: -15.875
tors. eta vs tors. theta energy: -30.524
Dist. restrs. and SS energy: 2.010 (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: 1
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -365.476587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.476587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.964763 (E_RNA)
where:
Base-Base interactions energy: -252.058
where: short stacking energy: -91.946
Base-Backbone interact. energy: -1.904
local terms energy: -113.002886
where:
bonds (distance) C4'-P energy: -21.600
bonds (distance) P-C4' energy: -23.013
flat angles C4'-P-C4' energy: -24.806
flat angles P-C4'-P energy: -19.299
tors. eta vs tors. theta energy: -24.286
Dist. restrs. and SS energy: 1.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -355.197964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.197964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.519022 (E_RNA)
where:
Base-Base interactions energy: -249.282
where: short stacking energy: -86.903
Base-Backbone interact. energy: -0.495
local terms energy: -106.742326
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -23.732
flat angles C4'-P-C4' energy: -21.460
flat angles P-C4'-P energy: -20.404
tors. eta vs tors. theta energy: -27.566
Dist. restrs. and SS energy: 1.321 (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: 9
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -322.956460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.956460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.843314 (E_RNA)
where:
Base-Base interactions energy: -230.369
where: short stacking energy: -96.085
Base-Backbone interact. energy: 1.159
local terms energy: -98.632422
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -23.231
flat angles C4'-P-C4' energy: -19.721
flat angles P-C4'-P energy: -20.109
tors. eta vs tors. theta energy: -23.388
Dist. restrs. and SS energy: 4.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -317.112818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.112818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.133365 (E_RNA)
where:
Base-Base interactions energy: -216.802
where: short stacking energy: -82.292
Base-Backbone interact. energy: -0.887
local terms energy: -99.443835
where:
bonds (distance) C4'-P energy: -23.812
bonds (distance) P-C4' energy: -19.547
flat angles C4'-P-C4' energy: -22.589
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -20.503
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: 3
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -276.849101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.849101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.888808 (E_RNA)
where:
Base-Base interactions energy: -191.340
where: short stacking energy: -69.067
Base-Backbone interact. energy: 0.169
local terms energy: -85.717455
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -22.497
flat angles C4'-P-C4' energy: -19.796
flat angles P-C4'-P energy: -17.120
tors. eta vs tors. theta energy: -11.849
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: 4
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -292.266642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.266642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.432162 (E_RNA)
where:
Base-Base interactions energy: -198.173
where: short stacking energy: -85.241
Base-Backbone interact. energy: -0.359
local terms energy: -93.900592
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -12.667
flat angles C4'-P-C4' energy: -20.817
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: -29.143
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: 474
Temperature: 1.250000
Total energy: -268.269548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.269548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.890991 (E_RNA)
where:
Base-Base interactions energy: -175.047
where: short stacking energy: -84.837
Base-Backbone interact. energy: -1.329
local terms energy: -96.515555
where:
bonds (distance) C4'-P energy: -21.522
bonds (distance) P-C4' energy: -24.107
flat angles C4'-P-C4' energy: -20.304
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -18.507
Dist. restrs. and SS energy: 4.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -225.196705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.196705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.474756 (E_RNA)
where:
Base-Base interactions energy: -157.922
where: short stacking energy: -56.352
Base-Backbone interact. energy: 0.458
local terms energy: -71.010265
where:
bonds (distance) C4'-P energy: -23.679
bonds (distance) P-C4' energy: -21.027
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -3.204
tors. eta vs tors. theta energy: -5.712
Dist. restrs. and SS energy: 3.278 (S_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: 474
Temperature: 1.350000
Total energy: -248.100342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.100342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.348324 (E_RNA)
where:
Base-Base interactions energy: -174.767
where: short stacking energy: -60.596
Base-Backbone interact. energy: -0.269
local terms energy: -77.312637
where:
bonds (distance) C4'-P energy: -21.247
bonds (distance) P-C4' energy: -17.049
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -15.178
tors. eta vs tors. theta energy: -9.605
Dist. restrs. and SS energy: 4.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -374.207325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.207325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.316959 (E_RNA)
where:
Base-Base interactions energy: -257.676
where: short stacking energy: -98.990
Base-Backbone interact. energy: -1.820
local terms energy: -116.821115
where:
bonds (distance) C4'-P energy: -19.851
bonds (distance) P-C4' energy: -24.965
flat angles C4'-P-C4' energy: -23.854
flat angles P-C4'-P energy: -16.895
tors. eta vs tors. theta energy: -31.256
Dist. restrs. and SS energy: 2.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -356.028214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.028214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.413111 (E_RNA)
where:
Base-Base interactions energy: -253.955
where: short stacking energy: -96.640
Base-Backbone interact. energy: -0.464
local terms energy: -102.993970
where:
bonds (distance) C4'-P energy: -18.826
bonds (distance) P-C4' energy: -24.209
flat angles C4'-P-C4' energy: -20.628
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -25.713
Dist. restrs. and SS energy: 1.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -357.174132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.174132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.566337 (E_RNA)
where:
Base-Base interactions energy: -251.450
where: short stacking energy: -93.411
Base-Backbone interact. energy: -0.836
local terms energy: -105.280411
where:
bonds (distance) C4'-P energy: -19.492
bonds (distance) P-C4' energy: -25.764
flat angles C4'-P-C4' energy: -23.185
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: -22.160
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: 4, replica: 5
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -317.897342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.897342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.590207 (E_RNA)
where:
Base-Base interactions energy: -220.905
where: short stacking energy: -95.376
Base-Backbone interact. energy: 0.288
local terms energy: -97.973430
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -22.397
flat angles C4'-P-C4' energy: -19.497
flat angles P-C4'-P energy: -14.065
tors. eta vs tors. theta energy: -23.742
Dist. restrs. and SS energy: 0.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -312.169621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.169621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.157399 (E_RNA)
where:
Base-Base interactions energy: -221.614
where: short stacking energy: -90.545
Base-Backbone interact. energy: 0.972
local terms energy: -93.515011
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -24.247
flat angles C4'-P-C4' energy: -21.684
flat angles P-C4'-P energy: -15.463
tors. eta vs tors. theta energy: -14.259
Dist. restrs. and SS energy: 1.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -292.823270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.823270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.885537 (E_RNA)
where:
Base-Base interactions energy: -198.764
where: short stacking energy: -74.325
Base-Backbone interact. energy: -1.808
local terms energy: -92.313891
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -24.458
flat angles C4'-P-C4' energy: -20.652
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -19.228
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: 7, replica: 4
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -278.830501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.830501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.131454 (E_RNA)
where:
Base-Base interactions energy: -187.566
where: short stacking energy: -66.453
Base-Backbone interact. energy: -0.491
local terms energy: -91.075085
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -21.887
flat angles C4'-P-C4' energy: -19.250
flat angles P-C4'-P energy: -13.674
tors. eta vs tors. theta energy: -21.219
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: 8
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -240.068697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.068697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.383413 (E_RNA)
where:
Base-Base interactions energy: -155.909
where: short stacking energy: -65.669
Base-Backbone interact. energy: -0.090
local terms energy: -86.384606
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -23.716
flat angles C4'-P-C4' energy: -20.026
flat angles P-C4'-P energy: -16.450
tors. eta vs tors. theta energy: -10.689
Dist. restrs. and SS energy: 2.315 (S_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: 475
Temperature: 1.300000
Total energy: -243.866573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.866573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.212632 (E_RNA)
where:
Base-Base interactions energy: -160.738
where: short stacking energy: -75.684
Base-Backbone interact. energy: -0.845
local terms energy: -83.629916
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -22.125
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -21.018
Dist. restrs. and SS energy: 1.346 (S_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: 475
Temperature: 1.350000
Total energy: -216.170412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.170412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.606982 (E_RNA)
where:
Base-Base interactions energy: -141.789
where: short stacking energy: -65.218
Base-Backbone interact. energy: -0.030
local terms energy: -81.788136
where:
bonds (distance) C4'-P energy: -20.606
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -18.790
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -18.237
Dist. restrs. and SS energy: 7.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -377.725624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.725624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.033222 (E_RNA)
where:
Base-Base interactions energy: -259.573
where: short stacking energy: -97.613
Base-Backbone interact. energy: -1.400
local terms energy: -118.059820
where:
bonds (distance) C4'-P energy: -22.081
bonds (distance) P-C4' energy: -23.143
flat angles C4'-P-C4' energy: -23.988
flat angles P-C4'-P energy: -17.828
tors. eta vs tors. theta energy: -31.019
Dist. restrs. and SS energy: 1.308 (S_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: 476
Temperature: 0.950000
Total energy: -358.476473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.476473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.054956 (E_RNA)
where:
Base-Base interactions energy: -250.608
where: short stacking energy: -91.119
Base-Backbone interact. energy: -0.356
local terms energy: -108.090905
where:
bonds (distance) C4'-P energy: -19.168
bonds (distance) P-C4' energy: -25.232
flat angles C4'-P-C4' energy: -24.961
flat angles P-C4'-P energy: -14.298
tors. eta vs tors. theta energy: -24.431
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: 3, replica: 1
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -349.498945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.498945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.671553 (E_RNA)
where:
Base-Base interactions energy: -234.726
where: short stacking energy: -93.187
Base-Backbone interact. energy: 0.182
local terms energy: -116.127794
where:
bonds (distance) C4'-P energy: -24.433
bonds (distance) P-C4' energy: -24.080
flat angles C4'-P-C4' energy: -26.020
flat angles P-C4'-P energy: -13.790
tors. eta vs tors. theta energy: -27.805
Dist. restrs. and SS energy: 1.173 (S_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: 476
Temperature: 1.050000
Total energy: -316.805744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.805744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.947614 (E_RNA)
where:
Base-Base interactions energy: -215.975
where: short stacking energy: -81.180
Base-Backbone interact. energy: 0.352
local terms energy: -101.324860
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -26.083
flat angles C4'-P-C4' energy: -25.650
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -24.117
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: 5, replica: 3
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -288.455663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.455663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.746834 (E_RNA)
where:
Base-Base interactions energy: -194.524
where: short stacking energy: -84.816
Base-Backbone interact. energy: -0.517
local terms energy: -93.705257
where:
bonds (distance) C4'-P energy: -21.158
bonds (distance) P-C4' energy: -23.076
flat angles C4'-P-C4' energy: -18.469
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -20.834
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: 9
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -326.063290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.063290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.889024 (E_RNA)
where:
Base-Base interactions energy: -226.766
where: short stacking energy: -85.541
Base-Backbone interact. energy: -0.067
local terms energy: -101.055549
where:
bonds (distance) C4'-P energy: -22.464
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -23.623
flat angles P-C4'-P energy: -15.231
tors. eta vs tors. theta energy: -24.656
Dist. restrs. and SS energy: 1.826 (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: 4
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -276.409986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.409986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.069846 (E_RNA)
where:
Base-Base interactions energy: -180.826
where: short stacking energy: -86.417
Base-Backbone interact. energy: -0.694
local terms energy: -97.550225
where:
bonds (distance) C4'-P energy: -20.892
bonds (distance) P-C4' energy: -19.325
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -15.110
tors. eta vs tors. theta energy: -26.963
Dist. restrs. and SS energy: 2.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -248.734646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.734646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.120289 (E_RNA)
where:
Base-Base interactions energy: -174.158
where: short stacking energy: -73.017
Base-Backbone interact. energy: 0.822
local terms energy: -76.783531
where:
bonds (distance) C4'-P energy: -8.154
bonds (distance) P-C4' energy: -19.829
flat angles C4'-P-C4' energy: -18.669
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -18.407
Dist. restrs. and SS energy: 1.386 (S_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: 476
Temperature: 1.300000
Total energy: -224.636822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.636822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.643357 (E_RNA)
where:
Base-Base interactions energy: -145.302
where: short stacking energy: -61.229
Base-Backbone interact. energy: 1.072
local terms energy: -85.412871
where:
bonds (distance) C4'-P energy: -22.826
bonds (distance) P-C4' energy: -20.615
flat angles C4'-P-C4' energy: -20.069
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -11.434
Dist. restrs. and SS energy: 5.007 (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: 10
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -232.954744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.954744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.792233 (E_RNA)
where:
Base-Base interactions energy: -162.554
where: short stacking energy: -60.078
Base-Backbone interact. energy: -0.478
local terms energy: -71.760465
where:
bonds (distance) C4'-P energy: -22.221
bonds (distance) P-C4' energy: -13.288
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -6.339
tors. eta vs tors. theta energy: -14.620
Dist. restrs. and SS energy: 1.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -376.779244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.779244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.455431 (E_RNA)
where:
Base-Base interactions energy: -261.200
where: short stacking energy: -110.590
Base-Backbone interact. energy: -0.421
local terms energy: -115.834418
where:
bonds (distance) C4'-P energy: -22.218
bonds (distance) P-C4' energy: -21.629
flat angles C4'-P-C4' energy: -24.929
flat angles P-C4'-P energy: -16.097
tors. eta vs tors. theta energy: -30.962
Dist. restrs. and SS energy: 0.676 (S_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: 477
Temperature: 0.950000
Total energy: -365.186587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.186587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.259087 (E_RNA)
where:
Base-Base interactions energy: -270.214
where: short stacking energy: -99.124
Base-Backbone interact. energy: -0.142
local terms energy: -95.903340
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -22.295
flat angles C4'-P-C4' energy: -21.756
flat angles P-C4'-P energy: -13.713
tors. eta vs tors. theta energy: -23.638
Dist. restrs. and SS energy: 1.073 (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: 1
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -358.200000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.200000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.488419 (E_RNA)
where:
Base-Base interactions energy: -255.913
where: short stacking energy: -88.742
Base-Backbone interact. energy: 1.914
local terms energy: -105.488882
where:
bonds (distance) C4'-P energy: -24.192
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -19.625
flat angles P-C4'-P energy: -16.001
tors. eta vs tors. theta energy: -26.977
Dist. restrs. and SS energy: 1.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -331.022208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.022208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.806346 (E_RNA)
where:
Base-Base interactions energy: -223.544
where: short stacking energy: -97.833
Base-Backbone interact. energy: 0.353
local terms energy: -109.615057
where:
bonds (distance) C4'-P energy: -19.427
bonds (distance) P-C4' energy: -22.085
flat angles C4'-P-C4' energy: -25.181
flat angles P-C4'-P energy: -14.234
tors. eta vs tors. theta energy: -28.688
Dist. restrs. and SS energy: 1.784 (S_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: 477
Temperature: 1.100000
Total energy: -272.319039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.319039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.235704 (E_RNA)
where:
Base-Base interactions energy: -190.400
where: short stacking energy: -91.368
Base-Backbone interact. energy: -0.150
local terms energy: -92.685457
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -20.937
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -15.393
tors. eta vs tors. theta energy: -23.907
Dist. restrs. and SS energy: 10.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -323.986738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.986738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.687338 (E_RNA)
where:
Base-Base interactions energy: -221.725
where: short stacking energy: -84.837
Base-Backbone interact. energy: 2.191
local terms energy: -107.153504
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -19.974
flat angles C4'-P-C4' energy: -24.576
flat angles P-C4'-P energy: -17.877
tors. eta vs tors. theta energy: -25.126
Dist. restrs. and SS energy: 2.701 (S_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: 477
Temperature: 1.200000
Total energy: -286.065118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.065118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.009922 (E_RNA)
where:
Base-Base interactions energy: -190.274
where: short stacking energy: -77.405
Base-Backbone interact. energy: 2.914
local terms energy: -99.649819
where:
bonds (distance) C4'-P energy: -23.464
bonds (distance) P-C4' energy: -23.179
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -21.793
Dist. restrs. and SS energy: 0.945 (S_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: 477
Temperature: 1.250000
Total energy: -245.079975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.079975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.359469 (E_RNA)
where:
Base-Base interactions energy: -150.708
where: short stacking energy: -70.713
Base-Backbone interact. energy: -0.252
local terms energy: -94.399669
where:
bonds (distance) C4'-P energy: -23.485
bonds (distance) P-C4' energy: -25.370
flat angles C4'-P-C4' energy: -20.266
flat angles P-C4'-P energy: -13.417
tors. eta vs tors. theta energy: -11.861
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: 9, replica: 8
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -229.127230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.127230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.827915 (E_RNA)
where:
Base-Base interactions energy: -156.317
where: short stacking energy: -57.629
Base-Backbone interact. energy: -1.051
local terms energy: -74.459780
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -21.122
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -11.908
Dist. restrs. and SS energy: 2.701 (S_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: 477
Temperature: 1.350000
Total energy: -224.051971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.051971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.222134 (E_RNA)
where:
Base-Base interactions energy: -146.819
where: short stacking energy: -60.635
Base-Backbone interact. energy: -1.333
local terms energy: -82.069791
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -22.129
flat angles C4'-P-C4' energy: -23.350
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -11.954
Dist. restrs. and SS energy: 6.170 (S_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: 478
Temperature: 0.900000
Total energy: -362.005200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.005200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.049906 (E_RNA)
where:
Base-Base interactions energy: -249.747
where: short stacking energy: -102.423
Base-Backbone interact. energy: -0.606
local terms energy: -111.697742
where:
bonds (distance) C4'-P energy: -24.266
bonds (distance) P-C4' energy: -22.397
flat angles C4'-P-C4' energy: -24.898
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -28.857
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: 478
Temperature: 0.950000
Total energy: -363.149791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.149791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.238696 (E_RNA)
where:
Base-Base interactions energy: -246.562
where: short stacking energy: -98.407
Base-Backbone interact. energy: -1.391
local terms energy: -116.285609
where:
bonds (distance) C4'-P energy: -18.401
bonds (distance) P-C4' energy: -23.652
flat angles C4'-P-C4' energy: -23.691
flat angles P-C4'-P energy: -20.296
tors. eta vs tors. theta energy: -30.246
Dist. restrs. and SS energy: 1.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -339.839564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.839564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.142132 (E_RNA)
where:
Base-Base interactions energy: -239.249
where: short stacking energy: -98.839
Base-Backbone interact. energy: -0.098
local terms energy: -102.795928
where:
bonds (distance) C4'-P energy: -19.391
bonds (distance) P-C4' energy: -21.363
flat angles C4'-P-C4' energy: -22.745
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -28.579
Dist. restrs. and SS energy: 2.303 (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: 1
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -347.361190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.361190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.084898 (E_RNA)
where:
Base-Base interactions energy: -235.645
where: short stacking energy: -92.426
Base-Backbone interact. energy: -1.369
local terms energy: -112.071639
where:
bonds (distance) C4'-P energy: -20.662
bonds (distance) P-C4' energy: -21.208
flat angles C4'-P-C4' energy: -25.016
flat angles P-C4'-P energy: -17.941
tors. eta vs tors. theta energy: -27.244
Dist. restrs. and SS energy: 1.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -313.487293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.487293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.067506 (E_RNA)
where:
Base-Base interactions energy: -225.536
where: short stacking energy: -73.077
Base-Backbone interact. energy: -0.242
local terms energy: -89.289055
where:
bonds (distance) C4'-P energy: -22.893
bonds (distance) P-C4' energy: -20.710
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -13.625
tors. eta vs tors. theta energy: -17.165
Dist. restrs. and SS energy: 1.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -267.479428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.479428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.474242 (E_RNA)
where:
Base-Base interactions energy: -184.696
where: short stacking energy: -95.652
Base-Backbone interact. energy: -1.399
local terms energy: -92.379908
where:
bonds (distance) C4'-P energy: -18.327
bonds (distance) P-C4' energy: -22.967
flat angles C4'-P-C4' energy: -19.895
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -21.201
Dist. restrs. and SS energy: 10.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -246.451520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.451520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.870734 (E_RNA)
where:
Base-Base interactions energy: -167.098
where: short stacking energy: -67.494
Base-Backbone interact. energy: -1.087
local terms energy: -87.685104
where:
bonds (distance) C4'-P energy: -20.672
bonds (distance) P-C4' energy: -23.380
flat angles C4'-P-C4' energy: -11.406
flat angles P-C4'-P energy: -15.869
tors. eta vs tors. theta energy: -16.357
Dist. restrs. and SS energy: 9.419 (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: 7
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -222.016796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.016796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.612298 (E_RNA)
where:
Base-Base interactions energy: -140.687
where: short stacking energy: -61.743
Base-Backbone interact. energy: 0.349
local terms energy: -85.275247
where:
bonds (distance) C4'-P energy: -20.050
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -22.704
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -13.787
Dist. restrs. and SS energy: 3.596 (S_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: 478
Temperature: 1.300000
Total energy: -238.580703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.580703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.846149 (E_RNA)
where:
Base-Base interactions energy: -160.788
where: short stacking energy: -67.069
Base-Backbone interact. energy: -1.169
local terms energy: -81.889370
where:
bonds (distance) C4'-P energy: -22.552
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -20.613
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -13.466
Dist. restrs. and SS energy: 5.265 (S_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: 478
Temperature: 1.350000
Total energy: -221.058384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.058384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.259628 (E_RNA)
where:
Base-Base interactions energy: -153.745
where: short stacking energy: -71.584
Base-Backbone interact. energy: -0.813
local terms energy: -72.701911
where:
bonds (distance) C4'-P energy: -21.334
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -19.096
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -8.282
Dist. restrs. and SS energy: 6.201 (S_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: 479
Temperature: 0.900000
Total energy: -364.605214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.605214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.819103 (E_RNA)
where:
Base-Base interactions energy: -253.985
where: short stacking energy: -98.933
Base-Backbone interact. energy: -0.938
local terms energy: -110.895967
where:
bonds (distance) C4'-P energy: -24.484
bonds (distance) P-C4' energy: -22.602
flat angles C4'-P-C4' energy: -19.540
flat angles P-C4'-P energy: -17.572
tors. eta vs tors. theta energy: -26.697
Dist. restrs. and SS energy: 1.214 (S_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: 479
Temperature: 0.950000
Total energy: -358.180983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.180983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.152219 (E_RNA)
where:
Base-Base interactions energy: -247.512
where: short stacking energy: -99.060
Base-Backbone interact. energy: -0.933
local terms energy: -110.707649
where:
bonds (distance) C4'-P energy: -21.622
bonds (distance) P-C4' energy: -22.210
flat angles C4'-P-C4' energy: -24.957
flat angles P-C4'-P energy: -14.461
tors. eta vs tors. theta energy: -27.458
Dist. restrs. and SS energy: 0.971 (S_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: 479
Temperature: 1.000000
Total energy: -337.142660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.142660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.327718 (E_RNA)
where:
Base-Base interactions energy: -233.514
where: short stacking energy: -83.425
Base-Backbone interact. energy: -0.404
local terms energy: -104.409899
where:
bonds (distance) C4'-P energy: -21.805
bonds (distance) P-C4' energy: -25.514
flat angles C4'-P-C4' energy: -19.938
flat angles P-C4'-P energy: -13.870
tors. eta vs tors. theta energy: -23.284
Dist. restrs. and SS energy: 1.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -329.080600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.080600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.100669 (E_RNA)
where:
Base-Base interactions energy: -229.412
where: short stacking energy: -91.383
Base-Backbone interact. energy: -0.917
local terms energy: -99.771663
where:
bonds (distance) C4'-P energy: -18.108
bonds (distance) P-C4' energy: -21.033
flat angles C4'-P-C4' energy: -19.878
flat angles P-C4'-P energy: -15.351
tors. eta vs tors. theta energy: -25.401
Dist. restrs. and SS energy: 1.020 (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: 9
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -301.052436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.052436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.199203 (E_RNA)
where:
Base-Base interactions energy: -207.962
where: short stacking energy: -79.996
Base-Backbone interact. energy: -0.919
local terms energy: -92.317600
where:
bonds (distance) C4'-P energy: -18.377
bonds (distance) P-C4' energy: -23.027
flat angles C4'-P-C4' energy: -22.921
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -16.257
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: 6, replica: 3
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -276.159269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.159269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.998579 (E_RNA)
where:
Base-Base interactions energy: -191.387
where: short stacking energy: -78.900
Base-Backbone interact. energy: -0.629
local terms energy: -90.982058
where:
bonds (distance) C4'-P energy: -19.067
bonds (distance) P-C4' energy: -21.268
flat angles C4'-P-C4' energy: -24.053
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -16.331
Dist. restrs. and SS energy: 6.839 (S_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: 479
Temperature: 1.200000
Total energy: -281.960508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.960508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.384916 (E_RNA)
where:
Base-Base interactions energy: -178.770
where: short stacking energy: -77.617
Base-Backbone interact. energy: -0.246
local terms energy: -103.368709
where:
bonds (distance) C4'-P energy: -20.782
bonds (distance) P-C4' energy: -21.973
flat angles C4'-P-C4' energy: -24.703
flat angles P-C4'-P energy: -12.986
tors. eta vs tors. theta energy: -22.924
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: 8, replica: 10
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -236.927240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.927240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.519502 (E_RNA)
where:
Base-Base interactions energy: -151.582
where: short stacking energy: -68.028
Base-Backbone interact. energy: -1.035
local terms energy: -90.902002
where:
bonds (distance) C4'-P energy: -22.760
bonds (distance) P-C4' energy: -22.609
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -14.339
tors. eta vs tors. theta energy: -16.430
Dist. restrs. and SS energy: 6.592 (S_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: 479
Temperature: 1.300000
Total energy: -232.241865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.241865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.781702 (E_RNA)
where:
Base-Base interactions energy: -147.673
where: short stacking energy: -55.451
Base-Backbone interact. energy: -0.241
local terms energy: -86.867737
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -22.866
flat angles C4'-P-C4' energy: -19.002
flat angles P-C4'-P energy: -17.250
tors. eta vs tors. theta energy: -11.841
Dist. restrs. and SS energy: 2.540 (S_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: 479
Temperature: 1.350000
Total energy: -201.981050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.981050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.371935 (E_RNA)
where:
Base-Base interactions energy: -124.258
where: short stacking energy: -49.880
Base-Backbone interact. energy: -0.621
local terms energy: -84.492185
where:
bonds (distance) C4'-P energy: -19.829
bonds (distance) P-C4' energy: -24.504
flat angles C4'-P-C4' energy: -20.608
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -6.709
Dist. restrs. and SS energy: 7.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -367.855705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.855705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.019628 (E_RNA)
where:
Base-Base interactions energy: -255.667
where: short stacking energy: -95.114
Base-Backbone interact. energy: -0.039
local terms energy: -112.313615
where:
bonds (distance) C4'-P energy: -23.807
bonds (distance) P-C4' energy: -22.928
flat angles C4'-P-C4' energy: -20.419
flat angles P-C4'-P energy: -18.990
tors. eta vs tors. theta energy: -26.169
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: 480
Temperature: 0.950000
Total energy: -360.036571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.036571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.281952 (E_RNA)
where:
Base-Base interactions energy: -252.654
where: short stacking energy: -97.182
Base-Backbone interact. energy: -1.875
local terms energy: -106.752684
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -25.695
flat angles C4'-P-C4' energy: -24.093
flat angles P-C4'-P energy: -14.614
tors. eta vs tors. theta energy: -25.543
Dist. restrs. and SS energy: 1.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -345.330756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.330756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.270628 (E_RNA)
where:
Base-Base interactions energy: -232.397
where: short stacking energy: -94.050
Base-Backbone interact. energy: -0.804
local terms energy: -113.070108
where:
bonds (distance) C4'-P energy: -23.506
bonds (distance) P-C4' energy: -21.006
flat angles C4'-P-C4' energy: -24.462
flat angles P-C4'-P energy: -18.464
tors. eta vs tors. theta energy: -25.632
Dist. restrs. and SS energy: 0.940 (S_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: 480
Temperature: 1.050000
Total energy: -327.910397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.910397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.965252 (E_RNA)
where:
Base-Base interactions energy: -226.440
where: short stacking energy: -82.499
Base-Backbone interact. energy: 0.001
local terms energy: -101.525825
where:
bonds (distance) C4'-P energy: -20.629
bonds (distance) P-C4' energy: -19.877
flat angles C4'-P-C4' energy: -22.308
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: -25.803
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: 3
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -279.507872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.507872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.044782 (E_RNA)
where:
Base-Base interactions energy: -182.283
where: short stacking energy: -69.426
Base-Backbone interact. energy: -1.227
local terms energy: -97.534614
where:
bonds (distance) C4'-P energy: -19.899
bonds (distance) P-C4' energy: -21.232
flat angles C4'-P-C4' energy: -20.823
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -24.038
Dist. restrs. and SS energy: 1.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -300.871959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.871959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.633377 (E_RNA)
where:
Base-Base interactions energy: -204.491
where: short stacking energy: -80.154
Base-Backbone interact. energy: 0.664
local terms energy: -98.805956
where:
bonds (distance) C4'-P energy: -23.551
bonds (distance) P-C4' energy: -20.678
flat angles C4'-P-C4' energy: -21.037
flat angles P-C4'-P energy: -15.984
tors. eta vs tors. theta energy: -17.555
Dist. restrs. and SS energy: 1.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -278.808408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.808408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.895165 (E_RNA)
where:
Base-Base interactions energy: -192.712
where: short stacking energy: -80.254
Base-Backbone interact. energy: 1.362
local terms energy: -89.545047
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -17.512
flat angles C4'-P-C4' energy: -21.289
flat angles P-C4'-P energy: -13.822
tors. eta vs tors. theta energy: -21.833
Dist. restrs. and SS energy: 2.087 (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: 4
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -263.029672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.029672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.871765 (E_RNA)
where:
Base-Base interactions energy: -173.218
where: short stacking energy: -80.394
Base-Backbone interact. energy: -0.437
local terms energy: -92.217015
where:
bonds (distance) C4'-P energy: -23.784
bonds (distance) P-C4' energy: -21.965
flat angles C4'-P-C4' energy: -22.695
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -16.038
Dist. restrs. and SS energy: 2.842 (S_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: 480
Temperature: 1.300000
Total energy: -230.794689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.794689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.726032 (E_RNA)
where:
Base-Base interactions energy: -162.547
where: short stacking energy: -66.749
Base-Backbone interact. energy: -1.647
local terms energy: -67.532702
where:
bonds (distance) C4'-P energy: -9.865
bonds (distance) P-C4' energy: -17.489
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -16.060
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: 10, replica: 7
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -235.765503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.765503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.389626 (E_RNA)
where:
Base-Base interactions energy: -156.236
where: short stacking energy: -67.040
Base-Backbone interact. energy: -0.050
local terms energy: -82.103706
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -25.699
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -14.908
Dist. restrs. and SS energy: 2.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -359.518523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.518523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.865889 (E_RNA)
where:
Base-Base interactions energy: -247.557
where: short stacking energy: -97.897
Base-Backbone interact. energy: -1.719
local terms energy: -110.589524
where:
bonds (distance) C4'-P energy: -23.660
bonds (distance) P-C4' energy: -20.273
flat angles C4'-P-C4' energy: -22.737
flat angles P-C4'-P energy: -16.505
tors. eta vs tors. theta energy: -27.415
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: 6
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -368.708092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.708092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.443648 (E_RNA)
where:
Base-Base interactions energy: -265.414
where: short stacking energy: -102.743
Base-Backbone interact. energy: -0.788
local terms energy: -104.241943
where:
bonds (distance) C4'-P energy: -22.596
bonds (distance) P-C4' energy: -18.649
flat angles C4'-P-C4' energy: -24.882
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -25.128
Dist. restrs. and SS energy: 1.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -335.299684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.299684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.745338 (E_RNA)
where:
Base-Base interactions energy: -234.988
where: short stacking energy: -82.969
Base-Backbone interact. energy: 0.277
local terms energy: -101.033768
where:
bonds (distance) C4'-P energy: -24.515
bonds (distance) P-C4' energy: -20.917
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -16.667
tors. eta vs tors. theta energy: -23.061
Dist. restrs. and SS energy: 0.446 (S_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: 481
Temperature: 1.050000
Total energy: -312.113004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.113004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.429246 (E_RNA)
where:
Base-Base interactions energy: -219.729
where: short stacking energy: -79.298
Base-Backbone interact. energy: -0.754
local terms energy: -93.945561
where:
bonds (distance) C4'-P energy: -20.984
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -24.600
Dist. restrs. and SS energy: 2.316 (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: 3
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -287.365992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.365992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.108391 (E_RNA)
where:
Base-Base interactions energy: -189.606
where: short stacking energy: -74.537
Base-Backbone interact. energy: -1.173
local terms energy: -97.329152
where:
bonds (distance) C4'-P energy: -22.150
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -22.662
flat angles P-C4'-P energy: -16.316
tors. eta vs tors. theta energy: -17.688
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: 6, replica: 9
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -328.775017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.775017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.594824 (E_RNA)
where:
Base-Base interactions energy: -223.709
where: short stacking energy: -90.063
Base-Backbone interact. energy: -0.706
local terms energy: -106.179982
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -23.436
flat angles C4'-P-C4' energy: -21.323
flat angles P-C4'-P energy: -18.162
tors. eta vs tors. theta energy: -27.158
Dist. restrs. and SS energy: 1.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -263.428998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.428998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.444591 (E_RNA)
where:
Base-Base interactions energy: -179.357
where: short stacking energy: -78.034
Base-Backbone interact. energy: 1.284
local terms energy: -86.371232
where:
bonds (distance) C4'-P energy: -19.670
bonds (distance) P-C4' energy: -19.446
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -14.064
tors. eta vs tors. theta energy: -15.578
Dist. restrs. and SS energy: 1.016 (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: 4
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -268.197566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.197566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.161333 (E_RNA)
where:
Base-Base interactions energy: -189.119
where: short stacking energy: -77.234
Base-Backbone interact. energy: -0.110
local terms energy: -81.931905
where:
bonds (distance) C4'-P energy: -20.590
bonds (distance) P-C4' energy: -10.999
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -16.104
tors. eta vs tors. theta energy: -18.663
Dist. restrs. and SS energy: 2.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -240.813962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.813962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.701072 (E_RNA)
where:
Base-Base interactions energy: -163.752
where: short stacking energy: -57.629
Base-Backbone interact. energy: -0.624
local terms energy: -79.324608
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -23.033
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -10.994
Dist. restrs. and SS energy: 2.887 (S_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: 481
Temperature: 1.350000
Total energy: -233.682474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.682474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.863914 (E_RNA)
where:
Base-Base interactions energy: -157.882
where: short stacking energy: -66.713
Base-Backbone interact. energy: -0.624
local terms energy: -80.358276
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -24.210
flat angles C4'-P-C4' energy: -20.733
flat angles P-C4'-P energy: -3.931
tors. eta vs tors. theta energy: -13.191
Dist. restrs. and SS energy: 5.181 (S_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: 482
Temperature: 0.900000
Total energy: -368.223899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.223899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.759500 (E_RNA)
where:
Base-Base interactions energy: -254.180
where: short stacking energy: -98.008
Base-Backbone interact. energy: -0.599
local terms energy: -114.980887
where:
bonds (distance) C4'-P energy: -25.277
bonds (distance) P-C4' energy: -23.743
flat angles C4'-P-C4' energy: -23.908
flat angles P-C4'-P energy: -14.937
tors. eta vs tors. theta energy: -27.115
Dist. restrs. and SS energy: 1.536 (S_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: 482
Temperature: 0.950000
Total energy: -357.408396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.408396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.423935 (E_RNA)
where:
Base-Base interactions energy: -257.513
where: short stacking energy: -95.077
Base-Backbone interact. energy: -0.528
local terms energy: -100.382380
where:
bonds (distance) C4'-P energy: -21.020
bonds (distance) P-C4' energy: -21.035
flat angles C4'-P-C4' energy: -20.944
flat angles P-C4'-P energy: -14.181
tors. eta vs tors. theta energy: -23.202
Dist. restrs. and SS energy: 1.016 (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: 482
Temperature: 1.000000
Total energy: -355.181634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.181634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.548478 (E_RNA)
where:
Base-Base interactions energy: -253.424
where: short stacking energy: -87.529
Base-Backbone interact. energy: -1.774
local terms energy: -101.350821
where:
bonds (distance) C4'-P energy: -21.510
bonds (distance) P-C4' energy: -19.155
flat angles C4'-P-C4' energy: -23.728
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -26.901
Dist. restrs. and SS energy: 1.367 (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: 5
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -308.000559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.000559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.000559 (E_RNA)
where:
Base-Base interactions energy: -212.150
where: short stacking energy: -82.789
Base-Backbone interact. energy: 0.326
local terms energy: -96.176879
where:
bonds (distance) C4'-P energy: -19.064
bonds (distance) P-C4' energy: -21.702
flat angles C4'-P-C4' energy: -21.438
flat angles P-C4'-P energy: -13.399
tors. eta vs tors. theta energy: -20.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -339.154741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.154741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.583789 (E_RNA)
where:
Base-Base interactions energy: -234.348
where: short stacking energy: -86.280
Base-Backbone interact. energy: -1.362
local terms energy: -104.873348
where:
bonds (distance) C4'-P energy: -22.911
bonds (distance) P-C4' energy: -19.900
flat angles C4'-P-C4' energy: -23.054
flat angles P-C4'-P energy: -14.172
tors. eta vs tors. theta energy: -24.836
Dist. restrs. and SS energy: 1.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -261.502125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.502125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.384853 (E_RNA)
where:
Base-Base interactions energy: -169.766
where: short stacking energy: -79.293
Base-Backbone interact. energy: -0.100
local terms energy: -93.518970
where:
bonds (distance) C4'-P energy: -22.182
bonds (distance) P-C4' energy: -21.676
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -22.944
Dist. restrs. and SS energy: 1.883 (S_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: 482
Temperature: 1.200000
Total energy: -255.637863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.637863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.744120 (E_RNA)
where:
Base-Base interactions energy: -169.809
where: short stacking energy: -76.337
Base-Backbone interact. energy: -0.290
local terms energy: -90.645689
where:
bonds (distance) C4'-P energy: -20.065
bonds (distance) P-C4' energy: -22.513
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -13.941
tors. eta vs tors. theta energy: -19.042
Dist. restrs. and SS energy: 5.106 (S_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: 482
Temperature: 1.250000
Total energy: -262.932116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.932116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.933959 (E_RNA)
where:
Base-Base interactions energy: -170.455
where: short stacking energy: -83.974
Base-Backbone interact. energy: 1.024
local terms energy: -99.502458
where:
bonds (distance) C4'-P energy: -19.216
bonds (distance) P-C4' energy: -23.365
flat angles C4'-P-C4' energy: -26.034
flat angles P-C4'-P energy: -14.042
tors. eta vs tors. theta energy: -16.846
Dist. restrs. and SS energy: 6.002 (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: 7
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -227.209130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.209130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.213530 (E_RNA)
where:
Base-Base interactions energy: -150.536
where: short stacking energy: -51.348
Base-Backbone interact. energy: -0.646
local terms energy: -78.031853
where:
bonds (distance) C4'-P energy: -18.960
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -10.721
Dist. restrs. and SS energy: 2.004 (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: 8
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -227.682033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.682033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.417341 (E_RNA)
where:
Base-Base interactions energy: -158.898
where: short stacking energy: -60.301
Base-Backbone interact. energy: 0.440
local terms energy: -71.959921
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -18.132
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -12.442
Dist. restrs. and SS energy: 2.735 (S_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: 483
Temperature: 0.900000
Total energy: -361.086627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.086627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.739818 (E_RNA)
where:
Base-Base interactions energy: -255.506
where: short stacking energy: -91.003
Base-Backbone interact. energy: -1.495
local terms energy: -105.738108
where:
bonds (distance) C4'-P energy: -22.354
bonds (distance) P-C4' energy: -23.828
flat angles C4'-P-C4' energy: -19.924
flat angles P-C4'-P energy: -14.624
tors. eta vs tors. theta energy: -25.008
Dist. restrs. and SS energy: 1.653 (S_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: 483
Temperature: 0.950000
Total energy: -364.070001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.070001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.061151 (E_RNA)
where:
Base-Base interactions energy: -254.143
where: short stacking energy: -103.562
Base-Backbone interact. energy: -1.814
local terms energy: -109.103859
where:
bonds (distance) C4'-P energy: -24.655
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -20.979
flat angles P-C4'-P energy: -13.974
tors. eta vs tors. theta energy: -28.919
Dist. restrs. and SS energy: 0.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -362.729687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.729687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.130634 (E_RNA)
where:
Base-Base interactions energy: -256.557
where: short stacking energy: -90.006
Base-Backbone interact. energy: -1.315
local terms energy: -106.258542
where:
bonds (distance) C4'-P energy: -21.052
bonds (distance) P-C4' energy: -22.071
flat angles C4'-P-C4' energy: -18.384
flat angles P-C4'-P energy: -15.809
tors. eta vs tors. theta energy: -28.942
Dist. restrs. and SS energy: 1.401 (S_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: 483
Temperature: 1.050000
Total energy: -343.849734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.849734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.412434 (E_RNA)
where:
Base-Base interactions energy: -241.697
where: short stacking energy: -92.663
Base-Backbone interact. energy: -0.485
local terms energy: -102.230654
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -20.413
flat angles C4'-P-C4' energy: -21.495
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -30.590
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: 5, replica: 5
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -302.666180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.666180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.791528 (E_RNA)
where:
Base-Base interactions energy: -207.544
where: short stacking energy: -85.390
Base-Backbone interact. energy: -1.427
local terms energy: -94.821074
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -20.301
flat angles C4'-P-C4' energy: -20.185
flat angles P-C4'-P energy: -16.032
tors. eta vs tors. theta energy: -22.857
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: 6, replica: 10
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -267.057173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.057173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.369447 (E_RNA)
where:
Base-Base interactions energy: -167.782
where: short stacking energy: -88.112
Base-Backbone interact. energy: 2.267
local terms energy: -107.854068
where:
bonds (distance) C4'-P energy: -23.543
bonds (distance) P-C4' energy: -22.416
flat angles C4'-P-C4' energy: -22.049
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -26.782
Dist. restrs. and SS energy: 6.312 (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: 3
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -267.551992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.551992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.199370 (E_RNA)
where:
Base-Base interactions energy: -177.832
where: short stacking energy: -69.289
Base-Backbone interact. energy: 0.438
local terms energy: -92.805761
where:
bonds (distance) C4'-P energy: -17.817
bonds (distance) P-C4' energy: -26.445
flat angles C4'-P-C4' energy: -17.673
flat angles P-C4'-P energy: -13.862
tors. eta vs tors. theta energy: -17.008
Dist. restrs. and SS energy: 2.647 (S_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: 483
Temperature: 1.250000
Total energy: -250.696693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.696693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.847083 (E_RNA)
where:
Base-Base interactions energy: -168.749
where: short stacking energy: -66.768
Base-Backbone interact. energy: -0.456
local terms energy: -85.641909
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -23.465
flat angles C4'-P-C4' energy: -19.433
flat angles P-C4'-P energy: -12.705
tors. eta vs tors. theta energy: -13.800
Dist. restrs. and SS energy: 4.150 (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: 4
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -276.135561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.135561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.203521 (E_RNA)
where:
Base-Base interactions energy: -186.545
where: short stacking energy: -86.466
Base-Backbone interact. energy: -0.874
local terms energy: -88.784707
where:
bonds (distance) C4'-P energy: -17.826
bonds (distance) P-C4' energy: -24.401
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -20.598
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: 10, replica: 8
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -240.777443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.777443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.453082 (E_RNA)
where:
Base-Base interactions energy: -160.374
where: short stacking energy: -65.146
Base-Backbone interact. energy: -0.911
local terms energy: -84.167710
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -22.111
flat angles C4'-P-C4' energy: -21.016
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -12.443
Dist. restrs. and SS energy: 4.676 (S_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: 484
Temperature: 0.900000
Total energy: -366.066873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.066873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.313757 (E_RNA)
where:
Base-Base interactions energy: -256.703
where: short stacking energy: -94.038
Base-Backbone interact. energy: -0.881
local terms energy: -109.730382
where:
bonds (distance) C4'-P energy: -23.126
bonds (distance) P-C4' energy: -24.726
flat angles C4'-P-C4' energy: -22.531
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -26.369
Dist. restrs. and SS energy: 1.247 (S_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: 484
Temperature: 0.950000
Total energy: -363.147597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.147597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.242867 (E_RNA)
where:
Base-Base interactions energy: -248.038
where: short stacking energy: -104.149
Base-Backbone interact. energy: 0.251
local terms energy: -116.455865
where:
bonds (distance) C4'-P energy: -22.595
bonds (distance) P-C4' energy: -21.885
flat angles C4'-P-C4' energy: -23.358
flat angles P-C4'-P energy: -16.860
tors. eta vs tors. theta energy: -31.758
Dist. restrs. and SS energy: 1.095 (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: 484
Temperature: 1.000000
Total energy: -346.999324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.999324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.480804 (E_RNA)
where:
Base-Base interactions energy: -239.957
where: short stacking energy: -97.528
Base-Backbone interact. energy: -0.114
local terms energy: -108.409500
where:
bonds (distance) C4'-P energy: -20.455
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -25.270
flat angles P-C4'-P energy: -16.072
tors. eta vs tors. theta energy: -28.748
Dist. restrs. and SS energy: 1.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -342.762693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.762693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.943917 (E_RNA)
where:
Base-Base interactions energy: -244.558
where: short stacking energy: -90.236
Base-Backbone interact. energy: -2.126
local terms energy: -98.260123
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -25.099
flat angles C4'-P-C4' energy: -21.827
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -30.357
Dist. restrs. and SS energy: 2.181 (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: 10
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -305.437715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.437715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.808480 (E_RNA)
where:
Base-Base interactions energy: -207.925
where: short stacking energy: -80.189
Base-Backbone interact. energy: -0.043
local terms energy: -98.840944
where:
bonds (distance) C4'-P energy: -17.772
bonds (distance) P-C4' energy: -22.234
flat angles C4'-P-C4' energy: -21.564
flat angles P-C4'-P energy: -18.378
tors. eta vs tors. theta energy: -18.893
Dist. restrs. and SS energy: 1.371 (S_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: 484
Temperature: 1.150000
Total energy: -295.158915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.158915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.923249 (E_RNA)
where:
Base-Base interactions energy: -201.613
where: short stacking energy: -92.993
Base-Backbone interact. energy: -0.056
local terms energy: -96.253684
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -18.575
flat angles C4'-P-C4' energy: -19.598
flat angles P-C4'-P energy: -14.568
tors. eta vs tors. theta energy: -25.588
Dist. restrs. and SS energy: 2.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -294.552577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.552577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.975193 (E_RNA)
where:
Base-Base interactions energy: -197.563
where: short stacking energy: -74.619
Base-Backbone interact. energy: 2.291
local terms energy: -101.703291
where:
bonds (distance) C4'-P energy: -24.117
bonds (distance) P-C4' energy: -24.291
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -17.064
tors. eta vs tors. theta energy: -21.237
Dist. restrs. and SS energy: 2.423 (S_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: 484
Temperature: 1.250000
Total energy: -266.022071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.022071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.224972 (E_RNA)
where:
Base-Base interactions energy: -176.309
where: short stacking energy: -76.262
Base-Backbone interact. energy: -0.434
local terms energy: -92.482387
where:
bonds (distance) C4'-P energy: -20.327
bonds (distance) P-C4' energy: -24.360
flat angles C4'-P-C4' energy: -22.071
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -17.151
Dist. restrs. and SS energy: 3.203 (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: 4
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -271.001343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.001343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.504705 (E_RNA)
where:
Base-Base interactions energy: -180.450
where: short stacking energy: -75.340
Base-Backbone interact. energy: -0.038
local terms energy: -91.016890
where:
bonds (distance) C4'-P energy: -20.197
bonds (distance) P-C4' energy: -19.240
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -22.340
Dist. restrs. and SS energy: 0.503 (S_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: 484
Temperature: 1.350000
Total energy: -228.037987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.037987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.674108 (E_RNA)
where:
Base-Base interactions energy: -155.904
where: short stacking energy: -75.394
Base-Backbone interact. energy: -0.027
local terms energy: -82.743231
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -24.272
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -21.366
Dist. restrs. and SS energy: 10.636 (S_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: 485
Temperature: 0.900000
Total energy: -357.513693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.513693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.542530 (E_RNA)
where:
Base-Base interactions energy: -254.117
where: short stacking energy: -98.138
Base-Backbone interact. energy: -0.440
local terms energy: -103.985695
where:
bonds (distance) C4'-P energy: -21.598
bonds (distance) P-C4' energy: -23.404
flat angles C4'-P-C4' energy: -22.652
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -25.200
Dist. restrs. and SS energy: 1.029 (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: 9
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -369.286110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.286110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.386813 (E_RNA)
where:
Base-Base interactions energy: -257.406
where: short stacking energy: -106.559
Base-Backbone interact. energy: -0.484
local terms energy: -112.496796
where:
bonds (distance) C4'-P energy: -20.499
bonds (distance) P-C4' energy: -24.398
flat angles C4'-P-C4' energy: -22.968
flat angles P-C4'-P energy: -16.762
tors. eta vs tors. theta energy: -27.869
Dist. restrs. and SS energy: 1.101 (S_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: 485
Temperature: 1.000000
Total energy: -350.776144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.776144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.062932 (E_RNA)
where:
Base-Base interactions energy: -238.876
where: short stacking energy: -97.059
Base-Backbone interact. energy: -0.003
local terms energy: -112.183303
where:
bonds (distance) C4'-P energy: -22.704
bonds (distance) P-C4' energy: -22.299
flat angles C4'-P-C4' energy: -25.137
flat angles P-C4'-P energy: -17.314
tors. eta vs tors. theta energy: -24.729
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: 4, replica: 10
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -329.726359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.726359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.637924 (E_RNA)
where:
Base-Base interactions energy: -224.041
where: short stacking energy: -89.102
Base-Backbone interact. energy: -0.682
local terms energy: -105.915284
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -22.640
flat angles C4'-P-C4' energy: -22.695
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -29.134
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: 5, replica: 2
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -329.770396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.770396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.356421 (E_RNA)
where:
Base-Base interactions energy: -233.485
where: short stacking energy: -94.725
Base-Backbone interact. energy: -2.004
local terms energy: -94.867979
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -19.433
flat angles C4'-P-C4' energy: -21.042
flat angles P-C4'-P energy: -13.890
tors. eta vs tors. theta energy: -22.632
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: 6, replica: 3
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -314.675200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.675200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.441242 (E_RNA)
where:
Base-Base interactions energy: -218.374
where: short stacking energy: -97.059
Base-Backbone interact. energy: 1.030
local terms energy: -100.097238
where:
bonds (distance) C4'-P energy: -23.523
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -19.977
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -25.099
Dist. restrs. and SS energy: 2.766 (S_DIST_RNA)
chem. 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: -278.102568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.102568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.558305 (E_RNA)
where:
Base-Base interactions energy: -184.640
where: short stacking energy: -78.570
Base-Backbone interact. energy: 2.194
local terms energy: -97.113171
where:
bonds (distance) C4'-P energy: -21.553
bonds (distance) P-C4' energy: -18.907
flat angles C4'-P-C4' energy: -17.429
flat angles P-C4'-P energy: -18.962
tors. eta vs tors. theta energy: -20.263
Dist. restrs. and SS energy: 1.456 (S_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: 485
Temperature: 1.250000
Total energy: -258.586579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.586579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.595474 (E_RNA)
where:
Base-Base interactions energy: -173.195
where: short stacking energy: -72.309
Base-Backbone interact. energy: -0.932
local terms energy: -87.467706
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -21.199
flat angles C4'-P-C4' energy: -18.957
flat angles P-C4'-P energy: -14.077
tors. eta vs tors. theta energy: -17.069
Dist. restrs. and SS energy: 3.009 (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: 4
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -222.697310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.697310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.217783 (E_RNA)
where:
Base-Base interactions energy: -162.695
where: short stacking energy: -55.634
Base-Backbone interact. energy: -0.365
local terms energy: -61.157113
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -20.920
flat angles C4'-P-C4' energy: -10.478
flat angles P-C4'-P energy: -6.432
tors. eta vs tors. theta energy: -6.758
Dist. restrs. and SS energy: 1.520 (S_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: 485
Temperature: 1.350000
Total energy: -238.001003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.001003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.317071 (E_RNA)
where:
Base-Base interactions energy: -151.446
where: short stacking energy: -58.100
Base-Backbone interact. energy: -0.198
local terms energy: -88.672635
where:
bonds (distance) C4'-P energy: -16.663
bonds (distance) P-C4' energy: -25.626
flat angles C4'-P-C4' energy: -19.678
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -15.743
Dist. restrs. and SS energy: 2.316 (S_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: -365.443758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.443758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.383497 (E_RNA)
where:
Base-Base interactions energy: -250.970
where: short stacking energy: -101.289
Base-Backbone interact. energy: -1.099
local terms energy: -114.314078
where:
bonds (distance) C4'-P energy: -17.704
bonds (distance) P-C4' energy: -25.455
flat angles C4'-P-C4' energy: -25.848
flat angles P-C4'-P energy: -14.235
tors. eta vs tors. theta energy: -31.072
Dist. restrs. and SS energy: 0.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -359.142487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.142487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.955003 (E_RNA)
where:
Base-Base interactions energy: -243.689
where: short stacking energy: -90.200
Base-Backbone interact. energy: -1.730
local terms energy: -114.535769
where:
bonds (distance) C4'-P energy: -22.702
bonds (distance) P-C4' energy: -26.412
flat angles C4'-P-C4' energy: -22.094
flat angles P-C4'-P energy: -16.645
tors. eta vs tors. theta energy: -26.683
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: 3, replica: 10
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -351.313053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.313053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.604657 (E_RNA)
where:
Base-Base interactions energy: -237.929
where: short stacking energy: -91.032
Base-Backbone interact. energy: -0.153
local terms energy: -113.522929
where:
bonds (distance) C4'-P energy: -22.231
bonds (distance) P-C4' energy: -24.450
flat angles C4'-P-C4' energy: -23.524
flat angles P-C4'-P energy: -18.480
tors. eta vs tors. theta energy: -24.839
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: 4, replica: 6
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -345.634884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.634884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.801582 (E_RNA)
where:
Base-Base interactions energy: -237.943
where: short stacking energy: -101.392
Base-Backbone interact. energy: -0.782
local terms energy: -107.076385
where:
bonds (distance) C4'-P energy: -17.579
bonds (distance) P-C4' energy: -23.741
flat angles C4'-P-C4' energy: -25.067
flat angles P-C4'-P energy: -13.985
tors. eta vs tors. theta energy: -26.706
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: 5, replica: 3
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -301.844520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.844520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.244489 (E_RNA)
where:
Base-Base interactions energy: -205.608
where: short stacking energy: -92.973
Base-Backbone interact. energy: -0.955
local terms energy: -96.681305
where:
bonds (distance) C4'-P energy: -18.422
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -23.554
flat angles P-C4'-P energy: -14.704
tors. eta vs tors. theta energy: -21.402
Dist. restrs. and SS energy: 1.400 (S_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: 486
Temperature: 1.150000
Total energy: -334.835747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.835747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.483329 (E_RNA)
where:
Base-Base interactions energy: -230.694
where: short stacking energy: -89.788
Base-Backbone interact. energy: 4.228
local terms energy: -110.017833
where:
bonds (distance) C4'-P energy: -22.525
bonds (distance) P-C4' energy: -23.054
flat angles C4'-P-C4' energy: -23.271
flat angles P-C4'-P energy: -15.525
tors. eta vs tors. theta energy: -25.643
Dist. restrs. and SS energy: 1.648 (S_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: 486
Temperature: 1.200000
Total energy: -263.867413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.867413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.514718 (E_RNA)
where:
Base-Base interactions energy: -178.652
where: short stacking energy: -84.397
Base-Backbone interact. energy: -0.294
local terms energy: -88.569140
where:
bonds (distance) C4'-P energy: -16.787
bonds (distance) P-C4' energy: -22.589
flat angles C4'-P-C4' energy: -19.230
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -16.527
Dist. restrs. and SS energy: 3.647 (S_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: 486
Temperature: 1.250000
Total energy: -266.285400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.285400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.506920 (E_RNA)
where:
Base-Base interactions energy: -175.339
where: short stacking energy: -62.486
Base-Backbone interact. energy: -0.986
local terms energy: -92.181678
where:
bonds (distance) C4'-P energy: -20.644
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -23.258
flat angles P-C4'-P energy: -14.748
tors. eta vs tors. theta energy: -18.152
Dist. restrs. and SS energy: 2.222 (S_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: 486
Temperature: 1.300000
Total energy: -281.476602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.476602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.733647 (E_RNA)
where:
Base-Base interactions energy: -208.351
where: short stacking energy: -84.057
Base-Backbone interact. energy: -0.456
local terms energy: -74.927321
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -19.823
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -21.054
Dist. restrs. and SS energy: 2.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -225.462994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.462994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.562358 (E_RNA)
where:
Base-Base interactions energy: -166.618
where: short stacking energy: -63.239
Base-Backbone interact. energy: -1.782
local terms energy: -57.162828
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -11.978
flat angles C4'-P-C4' energy: -9.878
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -7.610
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: 9
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -362.192462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.192462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.841532 (E_RNA)
where:
Base-Base interactions energy: -255.903
where: short stacking energy: -94.536
Base-Backbone interact. energy: -1.018
local terms energy: -106.920687
where:
bonds (distance) C4'-P energy: -22.143
bonds (distance) P-C4' energy: -22.003
flat angles C4'-P-C4' energy: -20.843
flat angles P-C4'-P energy: -17.617
tors. eta vs tors. theta energy: -24.314
Dist. restrs. and SS energy: 1.649 (S_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: 487
Temperature: 0.950000
Total energy: -352.133981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.133981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.798130 (E_RNA)
where:
Base-Base interactions energy: -243.774
where: short stacking energy: -103.039
Base-Backbone interact. energy: -3.500
local terms energy: -106.523462
where:
bonds (distance) C4'-P energy: -22.711
bonds (distance) P-C4' energy: -25.744
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -14.159
tors. eta vs tors. theta energy: -27.155
Dist. restrs. and SS energy: 1.664 (S_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: -323.279512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.279512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.291563 (E_RNA)
where:
Base-Base interactions energy: -214.861
where: short stacking energy: -87.879
Base-Backbone interact. energy: -0.195
local terms energy: -109.235576
where:
bonds (distance) C4'-P energy: -20.723
bonds (distance) P-C4' energy: -24.024
flat angles C4'-P-C4' energy: -23.303
flat angles P-C4'-P energy: -16.913
tors. eta vs tors. theta energy: -24.274
Dist. restrs. and SS energy: 1.012 (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: 6
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -344.568734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.568734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.020983 (E_RNA)
where:
Base-Base interactions energy: -235.360
where: short stacking energy: -96.412
Base-Backbone interact. energy: -0.833
local terms energy: -108.828347
where:
bonds (distance) C4'-P energy: -22.512
bonds (distance) P-C4' energy: -23.167
flat angles C4'-P-C4' energy: -25.597
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -24.619
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: 487
Temperature: 1.100000
Total energy: -300.050642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.050642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.716535 (E_RNA)
where:
Base-Base interactions energy: -201.955
where: short stacking energy: -83.003
Base-Backbone interact. energy: -0.328
local terms energy: -100.433829
where:
bonds (distance) C4'-P energy: -24.076
bonds (distance) P-C4' energy: -18.744
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -17.675
tors. eta vs tors. theta energy: -24.078
Dist. restrs. and SS energy: 2.666 (S_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: 487
Temperature: 1.150000
Total energy: -317.683206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.683206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.245007 (E_RNA)
where:
Base-Base interactions energy: -220.134
where: short stacking energy: -77.084
Base-Backbone interact. energy: -0.951
local terms energy: -98.159559
where:
bonds (distance) C4'-P energy: -18.342
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -21.514
flat angles P-C4'-P energy: -18.256
tors. eta vs tors. theta energy: -25.083
Dist. restrs. and SS energy: 1.562 (S_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: 487
Temperature: 1.200000
Total energy: -273.241032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.241032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.693603 (E_RNA)
where:
Base-Base interactions energy: -191.159
where: short stacking energy: -74.961
Base-Backbone interact. energy: -0.229
local terms energy: -84.305559
where:
bonds (distance) C4'-P energy: -16.948
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -19.897
flat angles P-C4'-P energy: -15.923
tors. eta vs tors. theta energy: -17.638
Dist. restrs. and SS energy: 2.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -273.133592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.133592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.529364 (E_RNA)
where:
Base-Base interactions energy: -179.079
where: short stacking energy: -76.276
Base-Backbone interact. energy: -1.058
local terms energy: -97.392929
where:
bonds (distance) C4'-P energy: -23.590
bonds (distance) P-C4' energy: -17.776
flat angles C4'-P-C4' energy: -26.211
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -21.614
Dist. restrs. and SS energy: 4.396 (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: 5
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -270.121110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.121110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.230774 (E_RNA)
where:
Base-Base interactions energy: -181.864
where: short stacking energy: -62.785
Base-Backbone interact. energy: 0.477
local terms energy: -90.844384
where:
bonds (distance) C4'-P energy: -22.574
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -19.335
Dist. restrs. and SS energy: 2.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -253.834732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.834732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.849601 (E_RNA)
where:
Base-Base interactions energy: -178.654
where: short stacking energy: -79.196
Base-Backbone interact. energy: -0.956
local terms energy: -77.239800
where:
bonds (distance) C4'-P energy: -18.583
bonds (distance) P-C4' energy: -12.199
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -6.409
tors. eta vs tors. theta energy: -21.823
Dist. restrs. and SS energy: 3.015 (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: 1
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -372.160544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.160544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.493922 (E_RNA)
where:
Base-Base interactions energy: -262.399
where: short stacking energy: -101.357
Base-Backbone interact. energy: -1.142
local terms energy: -109.952647
where:
bonds (distance) C4'-P energy: -21.102
bonds (distance) P-C4' energy: -19.137
flat angles C4'-P-C4' energy: -23.709
flat angles P-C4'-P energy: -14.630
tors. eta vs tors. theta energy: -31.376
Dist. restrs. and SS energy: 1.333 (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: 9
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -353.213978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.213978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.721953 (E_RNA)
where:
Base-Base interactions energy: -249.701
where: short stacking energy: -92.447
Base-Backbone interact. energy: -0.698
local terms energy: -103.323089
where:
bonds (distance) C4'-P energy: -23.381
bonds (distance) P-C4' energy: -25.807
flat angles C4'-P-C4' energy: -18.599
flat angles P-C4'-P energy: -14.974
tors. eta vs tors. theta energy: -20.562
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: 3, replica: 6
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -346.307376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.307376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.328191 (E_RNA)
where:
Base-Base interactions energy: -237.770
where: short stacking energy: -99.441
Base-Backbone interact. energy: -0.368
local terms energy: -108.190442
where:
bonds (distance) C4'-P energy: -25.035
bonds (distance) P-C4' energy: -19.636
flat angles C4'-P-C4' energy: -20.174
flat angles P-C4'-P energy: -17.202
tors. eta vs tors. theta energy: -26.143
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: 10
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -328.800069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.800069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.140261 (E_RNA)
where:
Base-Base interactions energy: -227.926
where: short stacking energy: -94.853
Base-Backbone interact. energy: 0.659
local terms energy: -102.873538
where:
bonds (distance) C4'-P energy: -23.207
bonds (distance) P-C4' energy: -21.570
flat angles C4'-P-C4' energy: -22.464
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -25.173
Dist. restrs. and SS energy: 1.340 (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: 2
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -313.411925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.411925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.321953 (E_RNA)
where:
Base-Base interactions energy: -225.222
where: short stacking energy: -72.881
Base-Backbone interact. energy: 1.555
local terms energy: -90.654812
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -21.554
flat angles C4'-P-C4' energy: -21.514
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: -16.159
Dist. restrs. and SS energy: 0.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -312.448949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.448949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.880452 (E_RNA)
where:
Base-Base interactions energy: -211.792
where: short stacking energy: -80.884
Base-Backbone interact. energy: -0.327
local terms energy: -101.761991
where:
bonds (distance) C4'-P energy: -22.036
bonds (distance) P-C4' energy: -18.478
flat angles C4'-P-C4' energy: -21.688
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -25.582
Dist. restrs. and SS energy: 1.432 (S_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: 488
Temperature: 1.200000
Total energy: -255.961589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.961589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.211777 (E_RNA)
where:
Base-Base interactions energy: -161.301
where: short stacking energy: -84.262
Base-Backbone interact. energy: -0.439
local terms energy: -97.471389
where:
bonds (distance) C4'-P energy: -19.934
bonds (distance) P-C4' energy: -21.461
flat angles C4'-P-C4' energy: -22.141
flat angles P-C4'-P energy: -12.456
tors. eta vs tors. theta energy: -21.479
Dist. restrs. and SS energy: 3.250 (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: 8
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -258.812519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.812519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.181735 (E_RNA)
where:
Base-Base interactions energy: -174.507
where: short stacking energy: -66.349
Base-Backbone interact. energy: -0.301
local terms energy: -87.373399
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -19.632
flat angles C4'-P-C4' energy: -22.616
flat angles P-C4'-P energy: -19.307
tors. eta vs tors. theta energy: -13.493
Dist. restrs. and SS energy: 3.369 (S_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: 488
Temperature: 1.300000
Total energy: -245.059361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.059361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.183366 (E_RNA)
where:
Base-Base interactions energy: -166.978
where: short stacking energy: -59.576
Base-Backbone interact. energy: -0.644
local terms energy: -79.560809
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -20.124
flat angles C4'-P-C4' energy: -19.145
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -10.986
Dist. restrs. and SS energy: 2.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -240.132499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.132499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.946734 (E_RNA)
where:
Base-Base interactions energy: -155.884
where: short stacking energy: -61.840
Base-Backbone interact. energy: -0.297
local terms energy: -86.764866
where:
bonds (distance) C4'-P energy: -20.168
bonds (distance) P-C4' energy: -20.010
flat angles C4'-P-C4' energy: -19.085
flat angles P-C4'-P energy: -14.545
tors. eta vs tors. theta energy: -12.957
Dist. restrs. and SS energy: 2.814 (S_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: 489
Temperature: 0.900000
Total energy: -369.425057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.425057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.188045 (E_RNA)
where:
Base-Base interactions energy: -262.348
where: short stacking energy: -102.428
Base-Backbone interact. energy: -0.726
local terms energy: -108.114000
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -24.776
flat angles C4'-P-C4' energy: -21.939
flat angles P-C4'-P energy: -16.676
tors. eta vs tors. theta energy: -29.480
Dist. restrs. and SS energy: 1.763 (S_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: 489
Temperature: 0.950000
Total energy: -345.129048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.129048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.816409 (E_RNA)
where:
Base-Base interactions energy: -237.566
where: short stacking energy: -96.570
Base-Backbone interact. energy: -0.751
local terms energy: -108.500098
where:
bonds (distance) C4'-P energy: -23.894
bonds (distance) P-C4' energy: -22.318
flat angles C4'-P-C4' energy: -24.621
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -25.150
Dist. restrs. and SS energy: 1.687 (S_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: 489
Temperature: 1.000000
Total energy: -352.787513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.787513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.325820 (E_RNA)
where:
Base-Base interactions energy: -249.466
where: short stacking energy: -86.989
Base-Backbone interact. energy: -0.059
local terms energy: -103.800280
where:
bonds (distance) C4'-P energy: -18.881
bonds (distance) P-C4' energy: -20.112
flat angles C4'-P-C4' energy: -18.899
flat angles P-C4'-P energy: -17.686
tors. eta vs tors. theta energy: -28.223
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: 4, replica: 2
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -336.161089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.161089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.421264 (E_RNA)
where:
Base-Base interactions energy: -238.093
where: short stacking energy: -85.383
Base-Backbone interact. energy: -1.041
local terms energy: -98.287764
where:
bonds (distance) C4'-P energy: -22.011
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -28.620
Dist. restrs. and SS energy: 1.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -306.771921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.771921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.494620 (E_RNA)
where:
Base-Base interactions energy: -207.138
where: short stacking energy: -84.732
Base-Backbone interact. energy: -0.412
local terms energy: -99.944787
where:
bonds (distance) C4'-P energy: -23.611
bonds (distance) P-C4' energy: -23.215
flat angles C4'-P-C4' energy: -20.527
flat angles P-C4'-P energy: -14.953
tors. eta vs tors. theta energy: -17.639
Dist. restrs. and SS energy: 0.723 (S_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: -293.169706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.169706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.093225 (E_RNA)
where:
Base-Base interactions energy: -203.209
where: short stacking energy: -90.931
Base-Backbone interact. energy: -0.255
local terms energy: -90.629856
where:
bonds (distance) C4'-P energy: -22.017
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -20.851
flat angles P-C4'-P energy: -13.119
tors. eta vs tors. theta energy: -19.246
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: 7, replica: 7
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -259.388029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.388029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.700391 (E_RNA)
where:
Base-Base interactions energy: -169.288
where: short stacking energy: -58.026
Base-Backbone interact. energy: 0.196
local terms energy: -92.608605
where:
bonds (distance) C4'-P energy: -23.581
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -23.320
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: -13.171
Dist. restrs. and SS energy: 2.312 (S_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: 489
Temperature: 1.250000
Total energy: -252.688732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.688732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.302661 (E_RNA)
where:
Base-Base interactions energy: -174.193
where: short stacking energy: -76.206
Base-Backbone interact. energy: 0.680
local terms energy: -81.789461
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -19.413
flat angles C4'-P-C4' energy: -20.757
flat angles P-C4'-P energy: -15.097
tors. eta vs tors. theta energy: -15.428
Dist. restrs. and SS energy: 2.614 (S_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: 489
Temperature: 1.300000
Total energy: -229.579855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.579855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.275554 (E_RNA)
where:
Base-Base interactions energy: -161.087
where: short stacking energy: -59.058
Base-Backbone interact. energy: -0.563
local terms energy: -77.625575
where:
bonds (distance) C4'-P energy: -19.833
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -20.810
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -11.983
Dist. restrs. and SS energy: 9.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -269.303993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.303993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.535104 (E_RNA)
where:
Base-Base interactions energy: -184.866
where: short stacking energy: -68.830
Base-Backbone interact. energy: -1.503
local terms energy: -83.166377
where:
bonds (distance) C4'-P energy: -18.518
bonds (distance) P-C4' energy: -21.852
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -18.676
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: 1, replica: 1
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -379.938542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.938542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.973616 (E_RNA)
where:
Base-Base interactions energy: -256.680
where: short stacking energy: -95.816
Base-Backbone interact. energy: -1.460
local terms energy: -122.834282
where:
bonds (distance) C4'-P energy: -23.630
bonds (distance) P-C4' energy: -24.380
flat angles C4'-P-C4' energy: -22.025
flat angles P-C4'-P energy: -22.143
tors. eta vs tors. theta energy: -30.657
Dist. restrs. and SS energy: 1.035 (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: 6
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -353.801070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.801070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.988754 (E_RNA)
where:
Base-Base interactions energy: -240.512
where: short stacking energy: -99.394
Base-Backbone interact. energy: -0.371
local terms energy: -114.105853
where:
bonds (distance) C4'-P energy: -23.720
bonds (distance) P-C4' energy: -24.183
flat angles C4'-P-C4' energy: -25.424
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -29.047
Dist. restrs. and SS energy: 1.188 (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: 9
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -356.716873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.716873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.680727 (E_RNA)
where:
Base-Base interactions energy: -245.016
where: short stacking energy: -98.793
Base-Backbone interact. energy: -2.162
local terms energy: -110.502796
where:
bonds (distance) C4'-P energy: -20.938
bonds (distance) P-C4' energy: -23.078
flat angles C4'-P-C4' energy: -21.835
flat angles P-C4'-P energy: -15.886
tors. eta vs tors. theta energy: -28.765
Dist. restrs. and SS energy: 0.964 (S_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: 490
Temperature: 1.050000
Total energy: -347.357997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.357997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.588698 (E_RNA)
where:
Base-Base interactions energy: -238.480
where: short stacking energy: -96.031
Base-Backbone interact. energy: -1.322
local terms energy: -108.786574
where:
bonds (distance) C4'-P energy: -20.918
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -21.737
flat angles P-C4'-P energy: -15.934
tors. eta vs tors. theta energy: -28.991
Dist. restrs. and SS energy: 1.231 (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: 3
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -309.960147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.960147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.985357 (E_RNA)
where:
Base-Base interactions energy: -211.016
where: short stacking energy: -93.264
Base-Backbone interact. energy: -0.187
local terms energy: -99.782404
where:
bonds (distance) C4'-P energy: -25.520
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -22.079
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -19.446
Dist. restrs. and SS energy: 1.025 (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: 10
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -287.389591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.389591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.674695 (E_RNA)
where:
Base-Base interactions energy: -189.604
where: short stacking energy: -71.538
Base-Backbone interact. energy: -0.011
local terms energy: -98.059527
where:
bonds (distance) C4'-P energy: -23.386
bonds (distance) P-C4' energy: -20.813
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -18.436
tors. eta vs tors. theta energy: -18.266
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: 7, replica: 5
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -245.930455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.930455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.117966 (E_RNA)
where:
Base-Base interactions energy: -165.403
where: short stacking energy: -65.938
Base-Backbone interact. energy: -0.211
local terms energy: -80.504195
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -24.477
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -13.352
tors. eta vs tors. theta energy: -9.844
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: 8, replica: 7
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -256.866734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.866734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.907751 (E_RNA)
where:
Base-Base interactions energy: -169.942
where: short stacking energy: -85.760
Base-Backbone interact. energy: 0.139
local terms energy: -94.104871
where:
bonds (distance) C4'-P energy: -18.297
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -21.982
flat angles P-C4'-P energy: -14.219
tors. eta vs tors. theta energy: -21.597
Dist. restrs. and SS energy: 7.041 (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: 4
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -271.441784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.441784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.741346 (E_RNA)
where:
Base-Base interactions energy: -177.811
where: short stacking energy: -70.305
Base-Backbone interact. energy: -0.061
local terms energy: -93.869840
where:
bonds (distance) C4'-P energy: -19.584
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -24.052
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -19.412
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: 10, replica: 8
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -253.858334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.858334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.152821 (E_RNA)
where:
Base-Base interactions energy: -172.327
where: short stacking energy: -63.941
Base-Backbone interact. energy: -0.332
local terms energy: -85.493597
where:
bonds (distance) C4'-P energy: -18.732
bonds (distance) P-C4' energy: -20.639
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -16.879
Dist. restrs. and SS energy: 4.294 (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: 1
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -371.233792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.233792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.311912 (E_RNA)
where:
Base-Base interactions energy: -260.311
where: short stacking energy: -104.237
Base-Backbone interact. energy: -0.725
local terms energy: -111.275848
where:
bonds (distance) C4'-P energy: -16.481
bonds (distance) P-C4' energy: -22.713
flat angles C4'-P-C4' energy: -23.362
flat angles P-C4'-P energy: -16.037
tors. eta vs tors. theta energy: -32.682
Dist. restrs. and SS energy: 1.078 (S_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: 491
Temperature: 0.950000
Total energy: -356.102007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.102007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.013483 (E_RNA)
where:
Base-Base interactions energy: -252.894
where: short stacking energy: -95.540
Base-Backbone interact. energy: -0.712
local terms energy: -103.407566
where:
bonds (distance) C4'-P energy: -22.321
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -27.141
flat angles P-C4'-P energy: -14.626
tors. eta vs tors. theta energy: -22.574
Dist. restrs. and SS energy: 0.911 (S_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: 491
Temperature: 1.000000
Total energy: -355.947092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.947092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.345037 (E_RNA)
where:
Base-Base interactions energy: -250.283
where: short stacking energy: -94.216
Base-Backbone interact. energy: 1.226
local terms energy: -108.288241
where:
bonds (distance) C4'-P energy: -23.476
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -21.510
flat angles P-C4'-P energy: -14.805
tors. eta vs tors. theta energy: -32.440
Dist. restrs. and SS energy: 1.398 (S_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: 491
Temperature: 1.050000
Total energy: -348.661253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.661253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.359569 (E_RNA)
where:
Base-Base interactions energy: -246.154
where: short stacking energy: -96.824
Base-Backbone interact. energy: -0.615
local terms energy: -102.590613
where:
bonds (distance) C4'-P energy: -19.949
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -21.180
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -28.423
Dist. restrs. and SS energy: 0.698 (S_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: -310.617011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.617011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.633439 (E_RNA)
where:
Base-Base interactions energy: -206.856
where: short stacking energy: -85.657
Base-Backbone interact. energy: -0.636
local terms energy: -105.141838
where:
bonds (distance) C4'-P energy: -19.395
bonds (distance) P-C4' energy: -22.480
flat angles C4'-P-C4' energy: -22.557
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -25.758
Dist. restrs. and SS energy: 2.016 (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: 10
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -289.944658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.944658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.036009 (E_RNA)
where:
Base-Base interactions energy: -203.723
where: short stacking energy: -90.441
Base-Backbone interact. energy: 0.293
local terms energy: -88.605416
where:
bonds (distance) C4'-P energy: -17.978
bonds (distance) P-C4' energy: -22.858
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -19.727
Dist. restrs. and SS energy: 2.091 (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: 5
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -263.148819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.148819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.877857 (E_RNA)
where:
Base-Base interactions energy: -174.788
where: short stacking energy: -78.223
Base-Backbone interact. energy: -0.497
local terms energy: -91.592884
where:
bonds (distance) C4'-P energy: -22.459
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -19.663
flat angles P-C4'-P energy: -16.717
tors. eta vs tors. theta energy: -14.749
Dist. restrs. and SS energy: 3.729 (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: 4
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -281.561690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.561690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.593500 (E_RNA)
where:
Base-Base interactions energy: -186.918
where: short stacking energy: -68.847
Base-Backbone interact. energy: -1.316
local terms energy: -95.360019
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -25.332
flat angles C4'-P-C4' energy: -18.783
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -21.351
Dist. restrs. and SS energy: 2.032 (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: 491
Temperature: 1.300000
Total energy: -227.885545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.885545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.684221 (E_RNA)
where:
Base-Base interactions energy: -156.819
where: short stacking energy: -57.133
Base-Backbone interact. energy: -0.235
local terms energy: -72.630291
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -16.923
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -13.377
tors. eta vs tors. theta energy: -7.550
Dist. restrs. and SS energy: 1.799 (S_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: -195.107390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.107390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.653217 (E_RNA)
where:
Base-Base interactions energy: -115.311
where: short stacking energy: -47.759
Base-Backbone interact. energy: 2.327
local terms energy: -84.668842
where:
bonds (distance) C4'-P energy: -17.741
bonds (distance) P-C4' energy: -22.567
flat angles C4'-P-C4' energy: -22.324
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -10.114
Dist. restrs. and SS energy: 2.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -378.244552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.244552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.614505 (E_RNA)
where:
Base-Base interactions energy: -262.346
where: short stacking energy: -108.236
Base-Backbone interact. energy: -1.099
local terms energy: -116.169567
where:
bonds (distance) C4'-P energy: -25.083
bonds (distance) P-C4' energy: -21.507
flat angles C4'-P-C4' energy: -23.509
flat angles P-C4'-P energy: -17.163
tors. eta vs tors. theta energy: -28.908
Dist. restrs. and SS energy: 1.370 (S_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: 492
Temperature: 0.950000
Total energy: -357.435698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.435698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.560372 (E_RNA)
where:
Base-Base interactions energy: -259.685
where: short stacking energy: -101.507
Base-Backbone interact. energy: -1.175
local terms energy: -96.700489
where:
bonds (distance) C4'-P energy: -18.897
bonds (distance) P-C4' energy: -20.736
flat angles C4'-P-C4' energy: -21.642
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -23.774
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: 3, replica: 2
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -348.638647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.638647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.969222 (E_RNA)
where:
Base-Base interactions energy: -247.231
where: short stacking energy: -96.931
Base-Backbone interact. energy: -1.468
local terms energy: -100.270982
where:
bonds (distance) C4'-P energy: -24.372
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -24.717
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -25.568
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: 4, replica: 9
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -346.192860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.192860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.552835 (E_RNA)
where:
Base-Base interactions energy: -251.527
where: short stacking energy: -98.475
Base-Backbone interact. energy: -0.502
local terms energy: -95.523433
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -21.952
flat angles C4'-P-C4' energy: -20.552
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -28.240
Dist. restrs. and SS energy: 1.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -312.583740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.583740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.389361 (E_RNA)
where:
Base-Base interactions energy: -210.013
where: short stacking energy: -93.469
Base-Backbone interact. energy: -0.392
local terms energy: -102.984719
where:
bonds (distance) C4'-P energy: -19.945
bonds (distance) P-C4' energy: -21.841
flat angles C4'-P-C4' energy: -22.411
flat angles P-C4'-P energy: -16.578
tors. eta vs tors. theta energy: -22.209
Dist. restrs. and SS energy: 0.806 (S_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: -305.553094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.553094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.107206 (E_RNA)
where:
Base-Base interactions energy: -210.923
where: short stacking energy: -93.618
Base-Backbone interact. energy: -0.550
local terms energy: -97.634487
where:
bonds (distance) C4'-P energy: -21.941
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -25.918
flat angles P-C4'-P energy: -13.769
tors. eta vs tors. theta energy: -22.646
Dist. restrs. and SS energy: 3.554 (S_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: 492
Temperature: 1.200000
Total energy: -279.228409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.228409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.588450 (E_RNA)
where:
Base-Base interactions energy: -190.527
where: short stacking energy: -78.670
Base-Backbone interact. energy: -0.063
local terms energy: -91.998357
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -18.270
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -18.675
tors. eta vs tors. theta energy: -21.040
Dist. restrs. and SS energy: 3.360 (S_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: 492
Temperature: 1.250000
Total energy: -251.911858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.911858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.009612 (E_RNA)
where:
Base-Base interactions energy: -162.472
where: short stacking energy: -62.098
Base-Backbone interact. energy: -1.423
local terms energy: -90.115165
where:
bonds (distance) C4'-P energy: -18.489
bonds (distance) P-C4' energy: -21.947
flat angles C4'-P-C4' energy: -18.991
flat angles P-C4'-P energy: -13.073
tors. eta vs tors. theta energy: -17.615
Dist. restrs. and SS energy: 2.098 (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: 7
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -259.184680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.184680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.517273 (E_RNA)
where:
Base-Base interactions energy: -176.464
where: short stacking energy: -93.225
Base-Backbone interact. energy: 5.092
local terms energy: -91.144348
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -21.479
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -25.126
Dist. restrs. and SS energy: 3.333 (S_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: 492
Temperature: 1.350000
Total energy: -222.743605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.743605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.449913 (E_RNA)
where:
Base-Base interactions energy: -149.249
where: short stacking energy: -65.549
Base-Backbone interact. energy: -0.563
local terms energy: -74.637707
where:
bonds (distance) C4'-P energy: -18.325
bonds (distance) P-C4' energy: -17.537
flat angles C4'-P-C4' energy: -18.315
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -10.173
Dist. restrs. and SS energy: 1.706 (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: 1
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -372.577923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.577923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.669815 (E_RNA)
where:
Base-Base interactions energy: -259.795
where: short stacking energy: -99.153
Base-Backbone interact. energy: -3.928
local terms energy: -108.947301
where:
bonds (distance) C4'-P energy: -20.233
bonds (distance) P-C4' energy: -20.516
flat angles C4'-P-C4' energy: -24.586
flat angles P-C4'-P energy: -16.272
tors. eta vs tors. theta energy: -27.341
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: 2, replica: 2
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -363.320726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.320726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.401529 (E_RNA)
where:
Base-Base interactions energy: -241.564
where: short stacking energy: -99.557
Base-Backbone interact. energy: -1.157
local terms energy: -120.680350
where:
bonds (distance) C4'-P energy: -22.935
bonds (distance) P-C4' energy: -26.296
flat angles C4'-P-C4' energy: -23.149
flat angles P-C4'-P energy: -16.719
tors. eta vs tors. theta energy: -31.580
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: 493
Temperature: 1.000000
Total energy: -347.958036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.958036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.773323 (E_RNA)
where:
Base-Base interactions energy: -243.613
where: short stacking energy: -93.963
Base-Backbone interact. energy: -1.618
local terms energy: -103.542616
where:
bonds (distance) C4'-P energy: -20.315
bonds (distance) P-C4' energy: -23.096
flat angles C4'-P-C4' energy: -19.838
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -28.548
Dist. restrs. and SS energy: 0.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -319.837359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.837359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.948597 (E_RNA)
where:
Base-Base interactions energy: -212.795
where: short stacking energy: -93.856
Base-Backbone interact. energy: -0.059
local terms energy: -107.093879
where:
bonds (distance) C4'-P energy: -24.209
bonds (distance) P-C4' energy: -24.571
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -29.069
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: 9
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -342.739326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.739326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.053848 (E_RNA)
where:
Base-Base interactions energy: -244.659
where: short stacking energy: -99.185
Base-Backbone interact. energy: -0.304
local terms energy: -99.090130
where:
bonds (distance) C4'-P energy: -22.038
bonds (distance) P-C4' energy: -19.823
flat angles C4'-P-C4' energy: -19.655
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -29.841
Dist. restrs. and SS energy: 1.315 (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: 4
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -285.260830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.260830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.806769 (E_RNA)
where:
Base-Base interactions energy: -191.468
where: short stacking energy: -85.064
Base-Backbone interact. energy: -0.314
local terms energy: -98.025022
where:
bonds (distance) C4'-P energy: -17.950
bonds (distance) P-C4' energy: -24.070
flat angles C4'-P-C4' energy: -19.455
flat angles P-C4'-P energy: -13.820
tors. eta vs tors. theta energy: -22.729
Dist. restrs. and SS energy: 4.546 (S_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: 493
Temperature: 1.200000
Total energy: -283.386159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.386159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.318370 (E_RNA)
where:
Base-Base interactions energy: -192.517
where: short stacking energy: -79.216
Base-Backbone interact. energy: -0.185
local terms energy: -92.616221
where:
bonds (distance) C4'-P energy: -22.652
bonds (distance) P-C4' energy: -14.416
flat angles C4'-P-C4' energy: -22.209
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -20.078
Dist. restrs. and SS energy: 1.932 (S_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: 493
Temperature: 1.250000
Total energy: -216.340782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.340782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.137751 (E_RNA)
where:
Base-Base interactions energy: -146.103
where: short stacking energy: -52.876
Base-Backbone interact. energy: -0.696
local terms energy: -70.338242
where:
bonds (distance) C4'-P energy: -19.120
bonds (distance) P-C4' energy: -9.472
flat angles C4'-P-C4' energy: -21.136
flat angles P-C4'-P energy: -14.528
tors. eta vs tors. theta energy: -6.082
Dist. restrs. and SS energy: 0.797 (S_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: 493
Temperature: 1.300000
Total energy: -248.440176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.440176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.448941 (E_RNA)
where:
Base-Base interactions energy: -159.823
where: short stacking energy: -54.736
Base-Backbone interact. energy: -0.735
local terms energy: -88.890252
where:
bonds (distance) C4'-P energy: -18.431
bonds (distance) P-C4' energy: -22.711
flat angles C4'-P-C4' energy: -20.155
flat angles P-C4'-P energy: -15.353
tors. eta vs tors. theta energy: -12.240
Dist. restrs. and SS energy: 1.009 (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: 8
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -253.057554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.057554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.727053 (E_RNA)
where:
Base-Base interactions energy: -170.702
where: short stacking energy: -67.059
Base-Backbone interact. energy: -0.062
local terms energy: -84.962664
where:
bonds (distance) C4'-P energy: -25.575
bonds (distance) P-C4' energy: -19.272
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -15.441
Dist. restrs. and SS energy: 2.669 (S_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: 494
Temperature: 0.900000
Total energy: -352.027305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.027305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.117909 (E_RNA)
where:
Base-Base interactions energy: -242.468
where: short stacking energy: -93.400
Base-Backbone interact. energy: 1.188
local terms energy: -110.837492
where:
bonds (distance) C4'-P energy: -23.166
bonds (distance) P-C4' energy: -23.592
flat angles C4'-P-C4' energy: -19.251
flat angles P-C4'-P energy: -19.632
tors. eta vs tors. theta energy: -25.196
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: 1
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -370.780449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.780449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.539679 (E_RNA)
where:
Base-Base interactions energy: -258.439
where: short stacking energy: -98.603
Base-Backbone interact. energy: -1.850
local terms energy: -111.250512
where:
bonds (distance) C4'-P energy: -22.603
bonds (distance) P-C4' energy: -20.936
flat angles C4'-P-C4' energy: -25.461
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -29.157
Dist. restrs. and SS energy: 0.759 (S_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: 494
Temperature: 1.000000
Total energy: -350.101253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.101253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.076682 (E_RNA)
where:
Base-Base interactions energy: -234.842
where: short stacking energy: -90.496
Base-Backbone interact. energy: -0.869
local terms energy: -115.365743
where:
bonds (distance) C4'-P energy: -17.586
bonds (distance) P-C4' energy: -23.923
flat angles C4'-P-C4' energy: -25.181
flat angles P-C4'-P energy: -17.510
tors. eta vs tors. theta energy: -31.165
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: 4, replica: 10
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -326.956652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.956652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.483963 (E_RNA)
where:
Base-Base interactions energy: -225.412
where: short stacking energy: -74.789
Base-Backbone interact. energy: -1.015
local terms energy: -102.056119
where:
bonds (distance) C4'-P energy: -16.505
bonds (distance) P-C4' energy: -23.135
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -18.267
tors. eta vs tors. theta energy: -26.677
Dist. restrs. and SS energy: 1.527 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -291.802562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.802562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.462098 (E_RNA)
where:
Base-Base interactions energy: -193.092
where: short stacking energy: -69.107
Base-Backbone interact. energy: -0.531
local terms energy: -100.839231
where:
bonds (distance) C4'-P energy: -22.702
bonds (distance) P-C4' energy: -21.209
flat angles C4'-P-C4' energy: -23.945
flat angles P-C4'-P energy: -16.545
tors. eta vs tors. theta energy: -16.438
Dist. restrs. and SS energy: 2.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -325.752093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.752093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.408010 (E_RNA)
where:
Base-Base interactions energy: -230.400
where: short stacking energy: -97.259
Base-Backbone interact. energy: -0.917
local terms energy: -95.091725
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -20.026
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -27.172
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: 7, replica: 3
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -284.208392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.208392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.127187 (E_RNA)
where:
Base-Base interactions energy: -200.525
where: short stacking energy: -79.955
Base-Backbone interact. energy: -0.808
local terms energy: -84.794272
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -20.526
flat angles C4'-P-C4' energy: -19.046
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -18.488
Dist. restrs. and SS energy: 1.919 (S_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: 494
Temperature: 1.250000
Total energy: -241.698126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.698126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.520834 (E_RNA)
where:
Base-Base interactions energy: -153.178
where: short stacking energy: -56.796
Base-Backbone interact. energy: -0.793
local terms energy: -88.549820
where:
bonds (distance) C4'-P energy: -18.896
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -25.385
flat angles P-C4'-P energy: -15.097
tors. eta vs tors. theta energy: -11.923
Dist. restrs. and SS energy: 0.823 (S_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: 494
Temperature: 1.300000
Total energy: -229.419477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.419477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.944542 (E_RNA)
where:
Base-Base interactions energy: -142.873
where: short stacking energy: -61.686
Base-Backbone interact. energy: -0.267
local terms energy: -92.804327
where:
bonds (distance) C4'-P energy: -18.468
bonds (distance) P-C4' energy: -23.497
flat angles C4'-P-C4' energy: -20.360
flat angles P-C4'-P energy: -15.744
tors. eta vs tors. theta energy: -14.735
Dist. restrs. and SS energy: 6.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -226.628603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.628603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.221455 (E_RNA)
where:
Base-Base interactions energy: -162.816
where: short stacking energy: -61.708
Base-Backbone interact. energy: -0.437
local terms energy: -69.968041
where:
bonds (distance) C4'-P energy: -17.822
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -7.966
Dist. restrs. and SS energy: 6.593 (S_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: 495
Temperature: 0.900000
Total energy: -360.421098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.421098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.681478 (E_RNA)
where:
Base-Base interactions energy: -241.176
where: short stacking energy: -100.228
Base-Backbone interact. energy: 0.441
local terms energy: -119.946199
where:
bonds (distance) C4'-P energy: -21.541
bonds (distance) P-C4' energy: -25.938
flat angles C4'-P-C4' energy: -22.261
flat angles P-C4'-P energy: -21.123
tors. eta vs tors. theta energy: -29.083
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: 1
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -360.878230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.878230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.400528 (E_RNA)
where:
Base-Base interactions energy: -252.503
where: short stacking energy: -97.276
Base-Backbone interact. energy: -2.518
local terms energy: -107.379421
where:
bonds (distance) C4'-P energy: -21.511
bonds (distance) P-C4' energy: -21.770
flat angles C4'-P-C4' energy: -22.080
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: -29.324
Dist. restrs. and SS energy: 1.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -351.853774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.853774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.391480 (E_RNA)
where:
Base-Base interactions energy: -240.299
where: short stacking energy: -103.136
Base-Backbone interact. energy: -0.722
local terms energy: -111.370838
where:
bonds (distance) C4'-P energy: -15.951
bonds (distance) P-C4' energy: -21.428
flat angles C4'-P-C4' energy: -23.062
flat angles P-C4'-P energy: -18.355
tors. eta vs tors. theta energy: -32.575
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: 4, replica: 10
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -328.312539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.312539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.009341 (E_RNA)
where:
Base-Base interactions energy: -228.141
where: short stacking energy: -95.195
Base-Backbone interact. energy: -3.913
local terms energy: -96.954940
where:
bonds (distance) C4'-P energy: -23.196
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -23.297
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -26.069
Dist. restrs. and SS energy: 0.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -277.080246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.080246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.984235 (E_RNA)
where:
Base-Base interactions energy: -187.405
where: short stacking energy: -83.189
Base-Backbone interact. energy: -1.816
local terms energy: -93.763011
where:
bonds (distance) C4'-P energy: -18.368
bonds (distance) P-C4' energy: -20.298
flat angles C4'-P-C4' energy: -22.434
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: -20.325
Dist. restrs. and SS energy: 5.904 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -289.824810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.824810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.062119 (E_RNA)
where:
Base-Base interactions energy: -196.062
where: short stacking energy: -70.541
Base-Backbone interact. energy: -0.066
local terms energy: -95.933685
where:
bonds (distance) C4'-P energy: -17.814
bonds (distance) P-C4' energy: -19.315
flat angles C4'-P-C4' energy: -24.960
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: -19.954
Dist. restrs. and SS energy: 2.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -314.714405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.714405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.720882 (E_RNA)
where:
Base-Base interactions energy: -218.706
where: short stacking energy: -89.045
Base-Backbone interact. energy: -1.464
local terms energy: -95.550991
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -15.711
flat angles C4'-P-C4' energy: -22.954
flat angles P-C4'-P energy: -16.570
tors. eta vs tors. theta energy: -24.750
Dist. restrs. and SS energy: 1.006 (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: 495
Temperature: 1.250000
Total energy: -236.821619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.821619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.781656 (E_RNA)
where:
Base-Base interactions energy: -157.077
where: short stacking energy: -58.164
Base-Backbone interact. energy: -0.711
local terms energy: -80.992906
where:
bonds (distance) C4'-P energy: -19.398
bonds (distance) P-C4' energy: -23.369
flat angles C4'-P-C4' energy: -19.651
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -9.266
Dist. restrs. and SS energy: 1.960 (S_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: 495
Temperature: 1.300000
Total energy: -260.742557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.742557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.367148 (E_RNA)
where:
Base-Base interactions energy: -183.656
where: short stacking energy: -77.108
Base-Backbone interact. energy: -0.113
local terms energy: -83.597786
where:
bonds (distance) C4'-P energy: -20.255
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -20.812
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -18.325
Dist. restrs. and SS energy: 6.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -236.662977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.662977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.512113 (E_RNA)
where:
Base-Base interactions energy: -151.334
where: short stacking energy: -62.088
Base-Backbone interact. energy: 1.308
local terms energy: -92.485825
where:
bonds (distance) C4'-P energy: -21.486
bonds (distance) P-C4' energy: -25.912
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -14.496
tors. eta vs tors. theta energy: -12.718
Dist. restrs. and SS energy: 5.849 (S_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: 496
Temperature: 0.900000
Total energy: -364.752028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.752028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.550201 (E_RNA)
where:
Base-Base interactions energy: -251.207
where: short stacking energy: -102.352
Base-Backbone interact. energy: -0.715
local terms energy: -113.628130
where:
bonds (distance) C4'-P energy: -20.185
bonds (distance) P-C4' energy: -25.342
flat angles C4'-P-C4' energy: -21.721
flat angles P-C4'-P energy: -18.919
tors. eta vs tors. theta energy: -27.461
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: 2, replica: 1
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -368.737390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.737390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.510296 (E_RNA)
where:
Base-Base interactions energy: -264.442
where: short stacking energy: -101.085
Base-Backbone interact. energy: -2.557
local terms energy: -103.510968
where:
bonds (distance) C4'-P energy: -19.962
bonds (distance) P-C4' energy: -18.899
flat angles C4'-P-C4' energy: -21.200
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -30.971
Dist. restrs. and SS energy: 1.773 (S_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: 496
Temperature: 1.000000
Total energy: -330.929408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.929408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.674895 (E_RNA)
where:
Base-Base interactions energy: -230.795
where: short stacking energy: -89.461
Base-Backbone interact. energy: -0.302
local terms energy: -101.577856
where:
bonds (distance) C4'-P energy: -21.002
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -24.221
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -28.127
Dist. restrs. and SS energy: 1.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -351.105984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.105984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.512011 (E_RNA)
where:
Base-Base interactions energy: -240.444
where: short stacking energy: -96.165
Base-Backbone interact. energy: -0.283
local terms energy: -110.784948
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -24.613
flat angles C4'-P-C4' energy: -24.261
flat angles P-C4'-P energy: -14.045
tors. eta vs tors. theta energy: -30.733
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: 4
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -294.948858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.948858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.303502 (E_RNA)
where:
Base-Base interactions energy: -200.674
where: short stacking energy: -70.812
Base-Backbone interact. energy: -0.314
local terms energy: -94.315568
where:
bonds (distance) C4'-P energy: -20.587
bonds (distance) P-C4' energy: -23.158
flat angles C4'-P-C4' energy: -22.221
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -16.641
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: 6, replica: 3
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -274.255223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.255223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.764949 (E_RNA)
where:
Base-Base interactions energy: -182.307
where: short stacking energy: -75.724
Base-Backbone interact. energy: -1.116
local terms energy: -91.342072
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -20.581
flat angles C4'-P-C4' energy: -21.351
flat angles P-C4'-P energy: -16.326
tors. eta vs tors. theta energy: -14.846
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: 7, replica: 9
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -328.827435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.827435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.547058 (E_RNA)
where:
Base-Base interactions energy: -223.600
where: short stacking energy: -86.497
Base-Backbone interact. energy: -0.784
local terms energy: -105.163111
where:
bonds (distance) C4'-P energy: -20.794
bonds (distance) P-C4' energy: -21.756
flat angles C4'-P-C4' energy: -24.066
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -25.697
Dist. restrs. and SS energy: 0.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -270.115438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.115438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.659540 (E_RNA)
where:
Base-Base interactions energy: -192.233
where: short stacking energy: -74.231
Base-Backbone interact. energy: 1.569
local terms energy: -83.995463
where:
bonds (distance) C4'-P energy: -21.671
bonds (distance) P-C4' energy: -20.609
flat angles C4'-P-C4' energy: -20.548
flat angles P-C4'-P energy: -6.181
tors. eta vs tors. theta energy: -14.987
Dist. restrs. and SS energy: 4.544 (S_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: 496
Temperature: 1.300000
Total energy: -256.639353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.639353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.766015 (E_RNA)
where:
Base-Base interactions energy: -161.875
where: short stacking energy: -73.033
Base-Backbone interact. energy: 0.368
local terms energy: -100.258574
where:
bonds (distance) C4'-P energy: -21.606
bonds (distance) P-C4' energy: -25.934
flat angles C4'-P-C4' energy: -21.875
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -20.240
Dist. restrs. and SS energy: 5.127 (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: 5
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -210.393109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.393109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.582830 (E_RNA)
where:
Base-Base interactions energy: -130.871
where: short stacking energy: -47.247
Base-Backbone interact. energy: -0.432
local terms energy: -81.280037
where:
bonds (distance) C4'-P energy: -20.572
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -26.563
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -6.822
Dist. restrs. and SS energy: 2.190 (S_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: 497
Temperature: 0.900000
Total energy: -370.128609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.128609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.050286 (E_RNA)
where:
Base-Base interactions energy: -257.838
where: short stacking energy: -94.628
Base-Backbone interact. energy: -0.966
local terms energy: -112.246101
where:
bonds (distance) C4'-P energy: -20.341
bonds (distance) P-C4' energy: -24.120
flat angles C4'-P-C4' energy: -22.586
flat angles P-C4'-P energy: -16.884
tors. eta vs tors. theta energy: -28.315
Dist. restrs. and SS energy: 0.922 (S_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: 497
Temperature: 0.950000
Total energy: -357.667207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.667207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.344618 (E_RNA)
where:
Base-Base interactions energy: -253.093
where: short stacking energy: -94.749
Base-Backbone interact. energy: -2.497
local terms energy: -103.754487
where:
bonds (distance) C4'-P energy: -19.468
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -18.714
flat angles P-C4'-P energy: -16.096
tors. eta vs tors. theta energy: -29.540
Dist. restrs. and SS energy: 1.677 (S_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: 497
Temperature: 1.000000
Total energy: -319.298909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.298909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.808824 (E_RNA)
where:
Base-Base interactions energy: -214.186
where: short stacking energy: -80.495
Base-Backbone interact. energy: -1.104
local terms energy: -105.519168
where:
bonds (distance) C4'-P energy: -19.116
bonds (distance) P-C4' energy: -25.238
flat angles C4'-P-C4' energy: -25.488
flat angles P-C4'-P energy: -14.457
tors. eta vs tors. theta energy: -21.221
Dist. restrs. and SS energy: 1.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -337.991140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.991140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.830137 (E_RNA)
where:
Base-Base interactions energy: -238.199
where: short stacking energy: -100.797
Base-Backbone interact. energy: -0.405
local terms energy: -100.225794
where:
bonds (distance) C4'-P energy: -16.598
bonds (distance) P-C4' energy: -23.496
flat angles C4'-P-C4' energy: -24.783
flat angles P-C4'-P energy: -15.163
tors. eta vs tors. theta energy: -20.186
Dist. restrs. and SS energy: 0.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -293.794003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.794003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.311876 (E_RNA)
where:
Base-Base interactions energy: -201.361
where: short stacking energy: -77.740
Base-Backbone interact. energy: -0.459
local terms energy: -92.492022
where:
bonds (distance) C4'-P energy: -22.868
bonds (distance) P-C4' energy: -25.212
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -19.477
Dist. restrs. and SS energy: 0.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -311.867981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.867981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.845175 (E_RNA)
where:
Base-Base interactions energy: -224.716
where: short stacking energy: -85.640
Base-Backbone interact. energy: -0.787
local terms energy: -87.342186
where:
bonds (distance) C4'-P energy: -16.451
bonds (distance) P-C4' energy: -22.153
flat angles C4'-P-C4' energy: -18.304
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -19.227
Dist. restrs. and SS energy: 0.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -263.471368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.471368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.226023 (E_RNA)
where:
Base-Base interactions energy: -177.388
where: short stacking energy: -78.958
Base-Backbone interact. energy: -0.115
local terms energy: -93.723615
where:
bonds (distance) C4'-P energy: -20.282
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -20.760
flat angles P-C4'-P energy: -15.025
tors. eta vs tors. theta energy: -20.041
Dist. restrs. and SS energy: 7.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -256.717255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.717255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.938552 (E_RNA)
where:
Base-Base interactions energy: -167.109
where: short stacking energy: -66.630
Base-Backbone interact. energy: 0.713
local terms energy: -90.541913
where:
bonds (distance) C4'-P energy: -17.718
bonds (distance) P-C4' energy: -19.593
flat angles C4'-P-C4' energy: -22.936
flat angles P-C4'-P energy: -14.480
tors. eta vs tors. theta energy: -15.815
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: 9, replica: 7
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -233.054279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.054279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.511590 (E_RNA)
where:
Base-Base interactions energy: -146.762
where: short stacking energy: -53.396
Base-Backbone interact. energy: -0.646
local terms energy: -86.103326
where:
bonds (distance) C4'-P energy: -21.800
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -21.289
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -14.849
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: 10, replica: 5
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -209.158177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.158177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.699845 (E_RNA)
where:
Base-Base interactions energy: -140.047
where: short stacking energy: -48.842
Base-Backbone interact. energy: -0.668
local terms energy: -74.984958
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -20.108
flat angles C4'-P-C4' energy: -23.570
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -3.867
Dist. restrs. and SS energy: 6.542 (S_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: 498
Temperature: 0.900000
Total energy: -364.762579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.762579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.990632 (E_RNA)
where:
Base-Base interactions energy: -257.035
where: short stacking energy: -102.287
Base-Backbone interact. energy: 1.382
local terms energy: -110.338080
where:
bonds (distance) C4'-P energy: -18.074
bonds (distance) P-C4' energy: -22.813
flat angles C4'-P-C4' energy: -25.264
flat angles P-C4'-P energy: -14.128
tors. eta vs tors. theta energy: -30.059
Dist. restrs. and SS energy: 1.228 (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: 498
Temperature: 0.950000
Total energy: -361.334792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.334792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.201441 (E_RNA)
where:
Base-Base interactions energy: -259.191
where: short stacking energy: -100.087
Base-Backbone interact. energy: -3.433
local terms energy: -99.577269
where:
bonds (distance) C4'-P energy: -19.079
bonds (distance) P-C4' energy: -17.881
flat angles C4'-P-C4' energy: -23.809
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -28.474
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: 3, replica: 6
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -349.764569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.764569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.826547 (E_RNA)
where:
Base-Base interactions energy: -239.673
where: short stacking energy: -83.809
Base-Backbone interact. energy: -1.599
local terms energy: -109.554501
where:
bonds (distance) C4'-P energy: -24.965
bonds (distance) P-C4' energy: -24.815
flat angles C4'-P-C4' energy: -20.393
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -27.167
Dist. restrs. and SS energy: 1.062 (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: 498
Temperature: 1.050000
Total energy: -329.196657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.196657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.074049 (E_RNA)
where:
Base-Base interactions energy: -226.182
where: short stacking energy: -89.325
Base-Backbone interact. energy: -1.228
local terms energy: -102.663972
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -19.926
flat angles C4'-P-C4' energy: -18.833
flat angles P-C4'-P energy: -16.055
tors. eta vs tors. theta energy: -29.772
Dist. restrs. and SS energy: 0.877 (S_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: 498
Temperature: 1.100000
Total energy: -326.067086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.067086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.168851 (E_RNA)
where:
Base-Base interactions energy: -231.992
where: short stacking energy: -88.968
Base-Backbone interact. energy: -0.406
local terms energy: -94.770642
where:
bonds (distance) C4'-P energy: -21.422
bonds (distance) P-C4' energy: -22.062
flat angles C4'-P-C4' energy: -21.602
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -19.053
Dist. restrs. and SS energy: 1.102 (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: 4
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -290.248703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.248703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.404055 (E_RNA)
where:
Base-Base interactions energy: -207.696
where: short stacking energy: -90.686
Base-Backbone interact. energy: -0.213
local terms energy: -86.494662
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -18.037
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -22.737
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: 7, replica: 8
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -257.944274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.944274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.641806 (E_RNA)
where:
Base-Base interactions energy: -170.437
where: short stacking energy: -65.978
Base-Backbone interact. energy: -0.471
local terms energy: -89.733415
where:
bonds (distance) C4'-P energy: -21.862
bonds (distance) P-C4' energy: -23.429
flat angles C4'-P-C4' energy: -19.960
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -13.638
Dist. restrs. and SS energy: 2.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -284.681872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.681872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.437390 (E_RNA)
where:
Base-Base interactions energy: -198.738
where: short stacking energy: -77.630
Base-Backbone interact. energy: -0.048
local terms energy: -87.650615
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -22.045
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -23.005
Dist. restrs. and SS energy: 1.756 (S_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: 498
Temperature: 1.300000
Total energy: -217.638959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.638959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.271074 (E_RNA)
where:
Base-Base interactions energy: -148.852
where: short stacking energy: -58.274
Base-Backbone interact. energy: -0.559
local terms energy: -70.860321
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -22.676
flat angles C4'-P-C4' energy: -20.126
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -2.739
Dist. restrs. and SS energy: 2.632 (S_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: 498
Temperature: 1.350000
Total energy: -212.116734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.116734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.831354 (E_RNA)
where:
Base-Base interactions energy: -137.803
where: short stacking energy: -44.521
Base-Backbone interact. energy: -0.561
local terms energy: -75.467570
where:
bonds (distance) C4'-P energy: -18.210
bonds (distance) P-C4' energy: -21.837
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -10.196
Dist. restrs. and SS energy: 1.715 (S_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: 499
Temperature: 0.900000
Total energy: -360.680293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.680293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.757683 (E_RNA)
where:
Base-Base interactions energy: -252.736
where: short stacking energy: -97.641
Base-Backbone interact. energy: -1.230
local terms energy: -107.791599
where:
bonds (distance) C4'-P energy: -20.952
bonds (distance) P-C4' energy: -23.635
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -15.826
tors. eta vs tors. theta energy: -29.583
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: 2, replica: 1
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -359.711382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.711382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.335291 (E_RNA)
where:
Base-Base interactions energy: -247.460
where: short stacking energy: -91.594
Base-Backbone interact. energy: -2.299
local terms energy: -111.576111
where:
bonds (distance) C4'-P energy: -18.989
bonds (distance) P-C4' energy: -27.087
flat angles C4'-P-C4' energy: -23.954
flat angles P-C4'-P energy: -15.894
tors. eta vs tors. theta energy: -25.652
Dist. restrs. and SS energy: 1.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -348.890475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.890475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.708353 (E_RNA)
where:
Base-Base interactions energy: -230.962
where: short stacking energy: -98.047
Base-Backbone interact. energy: -0.793
local terms energy: -117.952857
where:
bonds (distance) C4'-P energy: -24.090
bonds (distance) P-C4' energy: -27.292
flat angles C4'-P-C4' energy: -21.406
flat angles P-C4'-P energy: -16.682
tors. eta vs tors. theta energy: -28.483
Dist. restrs. and SS energy: 0.818 (S_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: 499
Temperature: 1.050000
Total energy: -327.732329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.732329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.796971 (E_RNA)
where:
Base-Base interactions energy: -238.846
where: short stacking energy: -88.914
Base-Backbone interact. energy: -1.256
local terms energy: -88.695164
where:
bonds (distance) C4'-P energy: -18.264
bonds (distance) P-C4' energy: -18.998
flat angles C4'-P-C4' energy: -18.993
flat angles P-C4'-P energy: -13.115
tors. eta vs tors. theta energy: -19.326
Dist. restrs. and SS energy: 1.065 (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: 10
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -325.984794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.984794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.216882 (E_RNA)
where:
Base-Base interactions energy: -230.346
where: short stacking energy: -86.971
Base-Backbone interact. energy: -0.712
local terms energy: -97.158727
where:
bonds (distance) C4'-P energy: -17.942
bonds (distance) P-C4' energy: -21.234
flat angles C4'-P-C4' energy: -20.489
flat angles P-C4'-P energy: -15.793
tors. eta vs tors. theta energy: -21.700
Dist. restrs. and SS energy: 2.232 (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: 4
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -304.471377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.471377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.987985 (E_RNA)
where:
Base-Base interactions energy: -213.142
where: short stacking energy: -84.594
Base-Backbone interact. energy: -1.250
local terms energy: -90.596160
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -20.853
flat angles C4'-P-C4' energy: -19.476
flat angles P-C4'-P energy: -17.251
tors. eta vs tors. theta energy: -22.090
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: 8
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -256.022201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.022201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.144871 (E_RNA)
where:
Base-Base interactions energy: -173.179
where: short stacking energy: -74.512
Base-Backbone interact. energy: -0.157
local terms energy: -83.808066
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -23.139
flat angles C4'-P-C4' energy: -19.380
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -14.352
Dist. restrs. and SS energy: 1.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -271.439899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.439899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.872165 (E_RNA)
where:
Base-Base interactions energy: -188.395
where: short stacking energy: -70.054
Base-Backbone interact. energy: -1.138
local terms energy: -85.339376
where:
bonds (distance) C4'-P energy: -21.862
bonds (distance) P-C4' energy: -21.633
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -12.070
Dist. restrs. and SS energy: 3.432 (S_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: 499
Temperature: 1.300000
Total energy: -229.131018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.131018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.004039 (E_RNA)
where:
Base-Base interactions energy: -143.364
where: short stacking energy: -63.135
Base-Backbone interact. energy: -0.781
local terms energy: -85.859185
where:
bonds (distance) C4'-P energy: -18.286
bonds (distance) P-C4' energy: -25.047
flat angles C4'-P-C4' energy: -19.881
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: -9.402
Dist. restrs. and SS energy: 0.873 (S_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: 499
Temperature: 1.350000
Total energy: -221.973554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.973554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.098830 (E_RNA)
where:
Base-Base interactions energy: -139.783
where: short stacking energy: -65.685
Base-Backbone interact. energy: -0.237
local terms energy: -84.078089
where:
bonds (distance) C4'-P energy: -19.589
bonds (distance) P-C4' energy: -19.133
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -16.757
tors. eta vs tors. theta energy: -12.720
Dist. restrs. and SS energy: 2.125 (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: 1
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -373.753106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.753106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.380962 (E_RNA)
where:
Base-Base interactions energy: -253.224
where: short stacking energy: -99.083
Base-Backbone interact. energy: 0.832
local terms energy: -121.989113
where:
bonds (distance) C4'-P energy: -22.738
bonds (distance) P-C4' energy: -25.482
flat angles C4'-P-C4' energy: -25.021
flat angles P-C4'-P energy: -19.490
tors. eta vs tors. theta energy: -29.257
Dist. restrs. and SS energy: 0.628 (S_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: 500
Temperature: 0.950000
Total energy: -360.994185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.994185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.217387 (E_RNA)
where:
Base-Base interactions energy: -249.938
where: short stacking energy: -98.537
Base-Backbone interact. energy: -0.474
local terms energy: -111.805487
where:
bonds (distance) C4'-P energy: -19.441
bonds (distance) P-C4' energy: -20.256
flat angles C4'-P-C4' energy: -23.380
flat angles P-C4'-P energy: -16.694
tors. eta vs tors. theta energy: -32.034
Dist. restrs. and SS energy: 1.223 (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: 6
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -353.498574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.498574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.536956 (E_RNA)
where:
Base-Base interactions energy: -248.939
where: short stacking energy: -94.524
Base-Backbone interact. energy: -2.133
local terms energy: -103.464869
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -22.691
flat angles C4'-P-C4' energy: -21.144
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: -28.908
Dist. restrs. and SS energy: 1.038 (S_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: 500
Temperature: 1.050000
Total energy: -349.213828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.213828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.937673 (E_RNA)
where:
Base-Base interactions energy: -233.900
where: short stacking energy: -100.468
Base-Backbone interact. energy: -0.848
local terms energy: -116.189214
where:
bonds (distance) C4'-P energy: -22.814
bonds (distance) P-C4' energy: -23.852
flat angles C4'-P-C4' energy: -25.601
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -30.640
Dist. restrs. and SS energy: 1.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -321.307128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.307128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.200342 (E_RNA)
where:
Base-Base interactions energy: -233.801
where: short stacking energy: -87.059
Base-Backbone interact. energy: -0.345
local terms energy: -88.054805
where:
bonds (distance) C4'-P energy: -17.648
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -16.280
tors. eta vs tors. theta energy: -24.117
Dist. restrs. and SS energy: 0.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -284.462269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.462269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.849491 (E_RNA)
where:
Base-Base interactions energy: -188.057
where: short stacking energy: -77.539
Base-Backbone interact. energy: 1.043
local terms energy: -97.835562
where:
bonds (distance) C4'-P energy: -23.898
bonds (distance) P-C4' energy: -24.250
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -20.664
Dist. restrs. and SS energy: 0.387 (S_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: -298.519913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.519913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.965980 (E_RNA)
where:
Base-Base interactions energy: -210.182
where: short stacking energy: -78.149
Base-Backbone interact. energy: 0.489
local terms energy: -90.273130
where:
bonds (distance) C4'-P energy: -18.699
bonds (distance) P-C4' energy: -17.261
flat angles C4'-P-C4' energy: -18.796
flat angles P-C4'-P energy: -14.467
tors. eta vs tors. theta energy: -21.050
Dist. restrs. and SS energy: 1.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -244.600344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.600344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.956911 (E_RNA)
where:
Base-Base interactions energy: -158.529
where: short stacking energy: -62.524
Base-Backbone interact. energy: -0.921
local terms energy: -86.506791
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -24.648
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -14.717
tors. eta vs tors. theta energy: -18.564
Dist. restrs. and SS energy: 1.357 (S_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: 500
Temperature: 1.300000
Total energy: -247.303291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.303291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.597787 (E_RNA)
where:
Base-Base interactions energy: -169.204
where: short stacking energy: -67.741
Base-Backbone interact. energy: 1.248
local terms energy: -79.641476
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -24.563
flat angles C4'-P-C4' energy: -19.770
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -11.173
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: 10, replica: 5
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -240.101256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.101256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.603049 (E_RNA)
where:
Base-Base interactions energy: -164.677
where: short stacking energy: -61.125
Base-Backbone interact. energy: 0.428
local terms energy: -77.353676
where:
bonds (distance) C4'-P energy: -22.354
bonds (distance) P-C4' energy: -19.329
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -14.167
tors. eta vs tors. theta energy: -7.056
Dist. restrs. and SS energy: 1.502 (S_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: 501
Temperature: 0.900000
Total energy: -366.670095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.670095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.535731 (E_RNA)
where:
Base-Base interactions energy: -254.794
where: short stacking energy: -102.580
Base-Backbone interact. energy: 0.191
local terms energy: -112.933363
where:
bonds (distance) C4'-P energy: -19.675
bonds (distance) P-C4' energy: -19.603
flat angles C4'-P-C4' energy: -24.784
flat angles P-C4'-P energy: -19.233
tors. eta vs tors. theta energy: -29.638
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: 2, replica: 6
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -357.312534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.312534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.550550 (E_RNA)
where:
Base-Base interactions energy: -240.097
where: short stacking energy: -99.280
Base-Backbone interact. energy: -2.775
local terms energy: -115.678456
where:
bonds (distance) C4'-P energy: -23.128
bonds (distance) P-C4' energy: -24.854
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -22.459
tors. eta vs tors. theta energy: -30.879
Dist. restrs. and SS energy: 1.238 (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: 2
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -364.441482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.441482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.670123 (E_RNA)
where:
Base-Base interactions energy: -256.875
where: short stacking energy: -95.514
Base-Backbone interact. energy: -0.397
local terms energy: -108.397695
where:
bonds (distance) C4'-P energy: -19.581
bonds (distance) P-C4' energy: -21.070
flat angles C4'-P-C4' energy: -23.238
flat angles P-C4'-P energy: -18.940
tors. eta vs tors. theta energy: -25.568
Dist. restrs. and SS energy: 1.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -321.171226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.171226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.324315 (E_RNA)
where:
Base-Base interactions energy: -225.035
where: short stacking energy: -96.592
Base-Backbone interact. energy: 0.068
local terms energy: -97.356908
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -24.005
flat angles C4'-P-C4' energy: -24.935
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -18.910
Dist. restrs. and SS energy: 1.153 (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: 9
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -338.984784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.984784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.394366 (E_RNA)
where:
Base-Base interactions energy: -241.177
where: short stacking energy: -83.744
Base-Backbone interact. energy: 0.096
local terms energy: -99.313417
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -22.241
flat angles C4'-P-C4' energy: -23.422
flat angles P-C4'-P energy: -14.825
tors. eta vs tors. theta energy: -24.225
Dist. restrs. and SS energy: 1.410 (S_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: -307.076001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.076001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.489249 (E_RNA)
where:
Base-Base interactions energy: -217.941
where: short stacking energy: -85.831
Base-Backbone interact. energy: -0.221
local terms energy: -90.326885
where:
bonds (distance) C4'-P energy: -20.607
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -27.186
Dist. restrs. and SS energy: 1.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -269.770821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.770821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.929486 (E_RNA)
where:
Base-Base interactions energy: -181.711
where: short stacking energy: -77.422
Base-Backbone interact. energy: 0.733
local terms energy: -88.951754
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -21.338
flat angles P-C4'-P energy: -15.384
tors. eta vs tors. theta energy: -17.915
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: 8, replica: 8
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -262.419942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.419942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.205147 (E_RNA)
where:
Base-Base interactions energy: -180.540
where: short stacking energy: -70.796
Base-Backbone interact. energy: -0.227
local terms energy: -85.438078
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -21.459
flat angles C4'-P-C4' energy: -17.850
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -15.495
Dist. restrs. and SS energy: 3.785 (S_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: 501
Temperature: 1.300000
Total energy: -240.889323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.889323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.874975 (E_RNA)
where:
Base-Base interactions energy: -175.255
where: short stacking energy: -76.203
Base-Backbone interact. energy: 0.279
local terms energy: -70.898178
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -18.799
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -13.188
Dist. restrs. and SS energy: 4.986 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -221.797048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.797048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.821851 (E_RNA)
where:
Base-Base interactions energy: -149.503
where: short stacking energy: -65.537
Base-Backbone interact. energy: -0.343
local terms energy: -73.976080
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -15.748
tors. eta vs tors. theta energy: -7.985
Dist. restrs. and SS energy: 2.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 1 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 20960515
moves confirmed later: 23275046
all moves confirmed: 44235561
percent of confirmed moves: 5.529445
current total energy: -329.965770
recalc. total energy: -329.965770
replica 6 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 21352281
moves confirmed later: 23769235
all moves confirmed: 45121516
percent of confirmed moves: 5.640189
current total energy: -298.086552
recalc. total energy: -298.086552
replica 10 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 21883587
moves confirmed later: 24408723
all moves confirmed: 46292310
percent of confirmed moves: 5.786539
current total energy: -286.508100
recalc. total energy: -286.508100
replica 2 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 17567044
moves confirmed later: 19161613
all moves confirmed: 36728657
percent of confirmed moves: 4.591082
current total energy: -297.829868
recalc. total energy: -297.829868
replica 3 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 22490202
moves confirmed later: 25189571
all moves confirmed: 47679773
percent of confirmed moves: 5.959972
current total energy: -213.670882
recalc. total energy: -213.670882
replica 9 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 16517538
moves confirmed later: 17876108
all moves confirmed: 34393646
percent of confirmed moves: 4.299206
current total energy: -264.518873
recalc. total energy: -264.518873
replica 8 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 21805392
moves confirmed later: 24311779
all moves confirmed: 46117171
percent of confirmed moves: 5.764646
current total energy: -193.338102
recalc. total energy: -193.338102
replica 4 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 19888433
moves confirmed later: 21971725
all moves confirmed: 41860158
percent of confirmed moves: 5.232520
current total energy: -222.782062
recalc. total energy: -222.782062
replica 5 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 25740483
moves confirmed later: 29162918
all moves confirmed: 54903401
percent of confirmed moves: 6.862925
current total energy: -155.046904
recalc. total energy: -155.046904
replica 7 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 24653153
moves confirmed later: 27814563
all moves confirmed: 52467716
percent of confirmed moves: 6.558465
current total energy: -162.509877
recalc. total energy: -162.509877
out arg RESULTS//1/aptamer_test3-6ce33921_01
Time of doing 8000000 iterations: 4095.932 seconds